From 35849c2500bbeacbb4e079c1c28d4f787a14ecb5 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Mon, 8 Jun 2026 18:57:14 +0200
Subject: [PATCH 01/41] Add cwl-sample-displacement-transparency implementation
 plan

---
 .../cwl-sample-displacement-transparency.md   | 393 ++++++++++++++++++
 1 file changed, 393 insertions(+)
 create mode 100644 docs/dev/plans/cwl-sample-displacement-transparency.md

diff --git a/docs/dev/plans/cwl-sample-displacement-transparency.md b/docs/dev/plans/cwl-sample-displacement-transparency.md
new file mode 100644
index 000000000..1360701ab
--- /dev/null
+++ b/docs/dev/plans/cwl-sample-displacement-transparency.md
@@ -0,0 +1,393 @@
+# Plan — CWL sample-displacement & transparency peak-position corrections
+
+Governing conventions: [`AGENTS.md`](../../../AGENTS.md).
+
+**Deliberate exceptions to AGENTS.md in this plan**
+
+- **History.** This plan was drafted and reviewed in `tmp/plans/`
+  (git-ignored) to avoid interfering with in-flight work on the
+  `more-validation-notebooks` branch, then moved here to
+  `docs/dev/plans/` and committed at the start of the `/draft-impl-1`
+  cycle. Implementation runs on a dedicated
+  `cwl-sample-displacement-transparency` branch off `develop` (not on
+  `more-validation-notebooks`).
+- **Dependency timing.** The feature depends on unreleased cryspy
+  functionality (PR #46). Phase 2 verification of the cryspy path can
+  only pass against a locally patched cryspy until that PR ships in a
+  released version. See *Decisions → cryspy dependency* and the
+  *Testing against unreleased cryspy* section.
+
+---
+
+## Goal
+
+Add two FullProf-style systematic peak-position corrections to the
+constant-wavelength powder instrument so the
+`pd-neut-cwl_tch-fcj_lab6` verification page can be completed:
+
+| User-facing API                                   | FullProf | cryspy CIF / dict key            | Physical effect              | 2θ shift term      |
+| ------------------------------------------------- | -------- | -------------------------------- | ---------------------------- | ------------------ |
+| `experiment.instrument.calib_sample_displacement` | `SyCos`  | `_setup_offset_SyCos` / `offset_sycos` | Specimen displacement | ∝ cos(θ) = cos(½·2θ) |
+| `experiment.instrument.calib_sample_transparency` | `SySin`  | `_setup_offset_SySin` / `offset_sysin` | Sample transparency/absorption | ∝ sin(2θ)     |
+
+These join the existing `calib_twotheta_offset` (FullProf `Zero`,
+cryspy `offset_ttheta`) as the third and fourth `calib_*` corrections on
+`CwlPdInstrument`.
+
+cryspy applies all three together
+(`cryspy/procedure_rhochi/rhochi_pd.py`, PR #46):
+
+```python
+ttheta_zs = ttheta - (
+    offset_ttheta
+    + numpy.radians(offset_sycos) * numpy.cos(0.5 * ttheta)
+    + numpy.radians(offset_sysin) * numpy.sin(ttheta)
+)
+```
+
+So the EasyDiffraction parameter values are plain **degrees**, exactly
+like `calib_twotheta_offset`. As the notebook already warns for `Zero`,
+the FullProf-vs-cryspy sign/convention may differ, so the `.pcr` values
+(`SyCos = 0.05395`, `SySin = 0.09127`) may need adjustment when wired in
+— resolve this empirically in Phase 1 step P1.5.
+
+## Naming decision (confirmed with user)
+
+`calib_sample_displacement` / `calib_sample_transparency` — cause-based,
+self-explanatory to non-programmer scientists, and consistent with the
+`calib_*` peak-position-correction family already on the instrument
+category. Chosen over `calib_sycos`/`calib_sysin` (cryptic) and over
+`calib_twotheta_displacement`/`calib_twotheta_transparency` (more
+verbose, no added clarity).
+
+## ADR
+
+No new ADR is required. This adds two parameters to the existing
+`instrument` category following the established `Parameter` +
+getter/setter + `CifHandler` pattern used by `calib_twotheta_offset`
+(`src/.../instrument/cwl.py`). It introduces no new category, factory,
+switchable-category wiring, or datablock. It does extend CIF
+serialisation toward the cryspy backend, but only by adding rows to the
+existing CWL-powder instrument mapping, which the
+[`factory-contracts.md`](../adrs/accepted/factory-contracts.md)
+and existing instrument design already cover. Per AGENTS.md
+§Change Discipline, the relevant accepted ADRs were reviewed; none
+constrains this change beyond the existing pattern.
+
+## Decisions
+
+- **Scope: CWL powder only.** The corrections are defined only for
+  constant-wavelength powder diffraction (cryspy restricts them to that
+  geometry). Add the two parameters to `CwlPdInstrument` (the
+  `cwl-pd` instrument), **not** to `CwlInstrumentBase` (which is shared
+  with the single-crystal `cwl-sc` instrument) and **not** to TOF.
+- **CIF handler names.** Follow the existing `_instr.*` local
+  convention: `_instr.sample_displacement` and
+  `_instr.sample_transparency` (mirroring `_instr.2theta_offset`).
+- **cryspy CIF emission.** Extend the CWL-powder branch of
+  `_cif_instrument_section` in
+  `src/easydiffraction/analysis/calculators/cryspy.py` with two rows:
+  `calib_sample_displacement → _setup_offset_SyCos` and
+  `calib_sample_transparency → _setup_offset_SySin`.
+- **cryspy dict update (fast minimizer path).** Extend
+  `_update_experiment_in_cryspy_dict` (CWL-powder branch) to set
+  `cryspy_expt_dict['offset_sycos'][0]` and
+  `cryspy_expt_dict['offset_sysin'][0]` from the two new parameters,
+  mirroring how `offset_ttheta` is set. **Confirm the dict shape during
+  P1.3** (scalar vs `[0]`-indexed array) by inspecting the dict cryspy
+  builds from the emitted CIF on the PR branch; `offset_ttheta` uses
+  `[0]`-indexed access, so the new keys are expected to as well — verify
+  before committing.
+- **crysfml: no support.** crysfml has no SyCos/SySin equivalent. Do
+  **not** add rows to `_INSTRUMENT_ATTRIBUTE_MAP` in
+  `crysfml.py`; `_copy_present_values` silently skips unmapped
+  attributes, so crysfml keeps ignoring the corrections. The notebook
+  already documents that crysfml will retain a systematic offset; this
+  is expected and acceptable. (Optionally add a one-line code comment
+  noting SyCos/SySin are intentionally unmapped for crysfml.)
+- **cryspy dependency.** Do **not** bump the `cryspy` pin in
+  `pyproject.toml` in this plan: PR #46 is unreleased. The library code
+  is written so that, with current released cryspy (0.11.0), the new
+  CIF rows are simply ignored / the dict keys fall back to `0.0`
+  (`dict_pd.get("offset_sycos", 0.0)`), so nothing breaks. The cryspy
+  path of the notebook only matches FullProf once cryspy ships PR #46.
+  When that release exists, a **follow-up change** bumps the pin and
+  un-skips the page. This plan does not add a dependency under
+  AGENTS.md §Architecture (no pin change), so no dependency approval is
+  needed here.
+- **Verification page un-skip is deferred.** Keep
+  `pd-neut-cwl_tch-fcj_lab6` in `docs/docs/verification/ci_skip.txt`
+  until a released cryspy supports the corrections. The notebook's two
+  commented `calib_*` lines get uncommented (P1.5) so the page is
+  ready, but it stays CI-skipped because the released engine still
+  differs. Note: the page is also skipped for `11B` scattering and
+  TCH/FCJ reasons per the current `ci_skip.txt` comment, which are
+  independent of this change.
+
+## Open questions
+
+1. **Sign/convention of the FullProf values.** Does
+   `calib_sample_displacement = 0.05395` / `calib_sample_transparency =
+   0.09127` reproduce FullProf directly, or is a sign flip / scale
+   needed (as happened conceptually with `Zero`)? Resolve empirically in
+   P1.5 against a PR-#46 cryspy; record the final notebook values and
+   any adjustment in a code/notebook comment.
+2. **cryspy dict key array shape.** Confirm `offset_sycos`/`offset_sysin`
+   are `[0]`-indexed arrays in the built dict (expected, matching
+   `offset_ttheta`). Resolved during P1.3.
+3. **Released cryspy version string.** The exact released version that
+   first contains PR #46 is unknown today; the pin bump + un-skip is a
+   deferred follow-up, not part of this plan.
+
+## Testing against unreleased cryspy (local only — not committed)
+
+To exercise the cryspy path before PR #46 is released, replace the
+cryspy installed in the pixi default env with the PR branch. This is a
+**local developer step**; it touches `.pixi/` only and must never be
+committed.
+
+```bash
+# From a scratch dir outside the repo:
+git clone --branch <pr-46-branch> https://github.com/ikibalin/cryspy.git /tmp/cryspy-pr46
+# Install into the project's default pixi env (editable, so edits are live):
+cd /home/andrewsazonov/Development/github.com/easyscience/diffraction-lib
+.pixi/envs/default/bin/python -m pip install --no-deps -e /tmp/cryspy-pr46
+# Verify it took:
+.pixi/envs/default/bin/python -c "import cryspy, inspect, os; print(os.path.dirname(cryspy.__file__))"
+```
+
+To restore the released cryspy afterwards (so the env matches
+`pixi.lock` again):
+
+```bash
+pixi install            # or: .pixi/envs/default/bin/python -m pip install --no-deps --force-reinstall cryspy==0.11.0
+```
+
+Notes:
+- `<pr-46-branch>` is the head branch of
+  https://github.com/ikibalin/cryspy/pull/46 — confirm the exact branch
+  name on the PR page before cloning.
+- Because `pixi install` will overwrite the patched env, any
+  `pixi run check` / test invocation that re-syncs the env can silently
+  revert the patch. Run cryspy-path verification with explicit
+  `.pixi/envs/default/bin/python` invocations, or re-apply the patch
+  after any `pixi install`.
+- Unit tests (P2) must **not** depend on the patched cryspy — they stub
+  the engine and assert on the emitted CIF string / dict mutations, per
+  AGENTS.md §Testing ("no real calculation engines" in unit tests).
+
+## Concrete files likely to change
+
+Source (Phase 1):
+
+- `src/easydiffraction/datablocks/experiment/categories/instrument/cwl.py`
+  — add two `Parameter`s + getter/setter properties to `CwlPdInstrument`.
+- `src/easydiffraction/analysis/calculators/cryspy.py`
+  — `_cif_instrument_section` (CWL-powder mapping) and
+  `_update_experiment_in_cryspy_dict` (CWL-powder branch).
+- `src/easydiffraction/analysis/calculators/crysfml.py`
+  — comment only (intentionally unmapped); no functional change.
+- `docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py`
+  — uncomment the two `calib_*` lines using the new names; regenerate
+  the notebook with `pixi run notebook-prepare`.
+
+Tests (Phase 2):
+
+- `tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_cwl.py`
+  — assert the two new parameters are settable and carry correct
+  defaults/units/CIF names.
+- A cryspy-calculator unit test (new
+  `test_cryspy_coverage.py` or extend an existing calculator test)
+  asserting the emitted CIF contains `_setup_offset_SyCos` /
+  `_setup_offset_SySin` with the set values, and that
+  `_update_experiment_in_cryspy_dict` writes `offset_sycos`/
+  `offset_sysin` into a stub dict. No real engine.
+
+Docs / structure (auto-generated, do not hand-edit):
+
+- `docs/dev/package-structure/full.md`, `short.md` — regenerated by
+  `pixi run fix` if the public surface changes.
+
+## Implementation steps (Phase 1)
+
+> When executed via `/draft-impl-1`, each step is one atomic commit:
+> stage only the files the step lists (explicit paths), update this
+> checklist to `[x]` in the same commit, and use the step's `Commit:`
+> message. Commit locally before moving to the next step. Do not run
+> tests or `pixi run check` in Phase 1.
+
+- [ ] **P1.1 — Add the two parameters to `CwlPdInstrument`.**
+  In `cwl.py`, inside `CwlPdInstrument.__init__`, add
+  `self._calib_sample_displacement` and
+  `self._calib_sample_transparency` `Parameter`s modeled on
+  `_calib_twotheta_offset`: `name='sample_displacement'` /
+  `'sample_transparency'`, descriptive `description`, `units='degrees'`,
+  `DisplayHandler` (display names "Sample displacement" / "Sample
+  transparency", `display_units='deg'`, sensible LaTeX), default `0.0`,
+  `RangeValidator()`, and `CifHandler(names=['_instr.sample_displacement'])`
+  / `['_instr.sample_transparency']`. Add the matching getter +
+  setter properties (numpy-style one-line ≤72-char docstrings).
+  Files: `src/.../instrument/cwl.py`.
+  Commit: `Add CWL sample displacement and transparency parameters`
+
+- [ ] **P1.2 — Emit the corrections in the cryspy CIF.**
+  In `cryspy.py` `_cif_instrument_section`, CWL+powder branch, extend
+  `instrument_mapping` with
+  `'calib_sample_displacement': '_setup_offset_SyCos'` and
+  `'calib_sample_transparency': '_setup_offset_SySin'`.
+  Files: `src/easydiffraction/analysis/calculators/cryspy.py`.
+  Commit: `Emit SyCos/SySin offsets in cryspy CWL instrument CIF`
+
+- [ ] **P1.3 — Update the cached cryspy dict (fast path).**
+  In `cryspy.py` `_update_experiment_in_cryspy_dict`, CWL+powder
+  branch, set `cryspy_expt_dict['offset_sycos'][0]` and
+  `cryspy_expt_dict['offset_sysin'][0]` from the two new parameters,
+  next to the existing `offset_ttheta` assignment. First confirm the
+  built dict exposes these keys with `[0]`-indexed shape (see Open
+  question 2); guard with `if 'offset_sycos' in cryspy_expt_dict:` only
+  if released cryspy lacks the keys and would otherwise KeyError on the
+  minimizer fast path — prefer the unconditional form if released
+  cryspy already provides zero-initialized keys.
+  Files: `src/easydiffraction/analysis/calculators/cryspy.py`.
+  Commit: `Update cryspy dict with SyCos/SySin offsets`
+
+- [ ] **P1.4 — Document crysfml non-support.**
+  In `crysfml.py` `_update_experiment_dict_from_instrument`, add a
+  one-line comment near the instrument map noting SyCos/SySin
+  (`calib_sample_displacement` / `calib_sample_transparency`) are
+  intentionally unmapped because crysfml has no equivalent correction.
+  No functional change.
+  Files: `src/easydiffraction/analysis/calculators/crysfml.py`.
+  Commit: `Note crysfml lacks SyCos/SySin instrument corrections`
+
+- [ ] **P1.5 — Wire the corrections into the verification page.**
+  In `pd-neut-cwl_tch-fcj_lab6.py`, uncomment the two correction lines
+  using the new names and the empirically confirmed values
+  (start from `calib_sample_displacement = 0.05395`,
+  `calib_sample_transparency = 0.09127`; adjust per Open question 1 if
+  the cryspy convention differs). Update the surrounding markdown so it
+  no longer says "pending EasyDiffraction support". Keep the page in
+  `ci_skip.txt` (still skipped until released cryspy supports PR #46);
+  update only the cryspy-path narrative if needed. Regenerate the
+  notebook with `pixi run notebook-prepare`.
+  Files: `docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py`,
+  `docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb`.
+  Commit: `Enable SyCos/SySin corrections in LaB6 verification page`
+
+- [ ] **P1.6 — Phase 1 review gate** (no-code). Mark `[x]`, commit the
+  checklist update alone.
+  Commit: `Reach Phase 1 review gate`
+
+## Implementation steps (Phase 2)
+
+> Run after Phase 1 review is approved. When executed via
+> `/draft-impl-2`, **add/extend the tests first (P2.1)**, then run the
+> verification suite (P2.2–P2.6) in order, committing atomically per
+> auto-fix or per logical fix. Use the zsh-safe log-capture pattern
+> below whenever a task's output must be analyzed. Do not silence lint
+> thresholds (`# noqa`, threshold bumps) — refactor instead per
+> AGENTS.md §Code Style.
+
+- [ ] **P2.1 — Add/extend unit tests (engine-free).**
+  - Extend
+    `tests/unit/.../instrument/test_cwl.py` to assert
+    `calib_sample_displacement` / `calib_sample_transparency` are
+    settable, default to `0.0`, carry `units='degrees'`, and expose CIF
+    names `_instr.sample_displacement` / `_instr.sample_transparency`.
+  - Add a cryspy-calculator unit test (new
+    `tests/unit/.../analysis/calculators/test_cryspy_coverage.py` or
+    extend an existing calculator test) asserting that
+    `_cif_instrument_section` emits `_setup_offset_SyCos` /
+    `_setup_offset_SySin` with the set values, and that
+    `_update_experiment_in_cryspy_dict` writes `offset_sycos` /
+    `offset_sysin` into a stub experiment dict. **No real cryspy
+    engine** (AGENTS.md §Testing); the unreleased PR-#46 cryspy is
+    exercised manually per *Testing against unreleased cryspy*,
+    outside `pixi run unit-tests`.
+  - Confirm test/source mirroring with `pixi run test-structure-check`
+    (also run inside `pixi run check`).
+  - Commit: `Add tests for CWL SyCos/SySin instrument corrections`
+
+- [ ] **P2.2 — `pixi run fix`.** Apply auto-fixes; include any
+  regenerated `docs/dev/package-structure/full.md` / `short.md`.
+  Commit: `Apply pixi run fix auto-fixes` (skip if nothing changed).
+
+- [ ] **P2.3 — `pixi run check`** until clean. Fix mechanical lint
+  nits directly; refactor (don't silence) any complexity/type breach.
+  ```bash
+  pixi run check > /tmp/easydiffraction-check.log 2>&1; check_exit_code=$?; tail -n 200 /tmp/easydiffraction-check.log; exit $check_exit_code
+  ```
+
+- [ ] **P2.4 — `pixi run unit-tests`** until green.
+  ```bash
+  pixi run unit-tests > /tmp/easydiffraction-unit.log 2>&1; unit_tests_exit_code=$?; tail -n 200 /tmp/easydiffraction-unit.log; exit $unit_tests_exit_code
+  ```
+
+- [ ] **P2.5 — `pixi run integration-tests`** until green. For
+  sandbox-only multiprocessing/process-pool failures, rerun with the
+  approved escalated permission path before treating it as a defect.
+  ```bash
+  pixi run integration-tests
+  ```
+
+- [ ] **P2.6 — `pixi run script-tests`** until green.
+  `pd-neut-cwl_tch-fcj_lab6` remains skipped via `ci_skip.txt`, so the
+  still-divergent cryspy path will not fail CI; confirm the page still
+  parses/builds where the runner loads it. Leave generated
+  `docs/dev/benchmarking/*.csv` untracked.
+  ```bash
+  pixi run script-tests > /tmp/easydiffraction-script.log 2>&1; script_tests_exit_code=$?; tail -n 200 /tmp/easydiffraction-script.log; exit $script_tests_exit_code
+  ```
+
+## Follow-up (out of scope, deferred)
+
+- When a released cryspy includes PR #46: bump the `cryspy` pin in
+  `pyproject.toml` / refresh `pixi.lock`, remove
+  `pd-neut-cwl_tch-fcj_lab6` from `ci_skip.txt` (if the remaining
+  `11B` / TCH-FCJ discrepancies are also resolved), and finalize the
+  notebook reference values. Track in `docs/dev/issues/open.md`.
+
+## Status checklist
+
+- [ ] P1.1 Add parameters to `CwlPdInstrument`
+- [ ] P1.2 Emit offsets in cryspy CIF
+- [ ] P1.3 Update cryspy cached dict
+- [ ] P1.4 Comment crysfml non-support
+- [ ] P1.5 Wire corrections into verification page
+- [ ] P1.6 Phase 1 review gate
+- [ ] P2.1 Add/extend engine-free unit tests
+- [ ] P2.2 `pixi run fix`
+- [ ] P2.3 `pixi run check` clean
+- [ ] P2.4 `pixi run unit-tests` green
+- [ ] P2.5 `pixi run integration-tests` green
+- [ ] P2.6 `pixi run script-tests` green
+
+## Suggested branch
+
+`cwl-sample-displacement-transparency` (off `develop`, per AGENTS.md
+§Planning). Note: current work is on `more-validation-notebooks`; create
+the implementation branch when starting `/draft-impl-1`.
+
+## Suggested Pull Request
+
+**Title:** Add sample-displacement and transparency peak corrections for
+constant-wavelength powder data
+
+**Description:** Constant-wavelength powder instruments can now correct
+for two common sources of systematic peak-position error: **sample
+displacement** (the specimen sitting slightly off the diffractometer
+axis) and **sample transparency** (the beam penetrating into the
+sample). These match FullProf's `SyCos` and `SySin` corrections and sit
+alongside the existing zero-offset correction:
+
+```python
+experiment.instrument.calib_sample_displacement = 0.05395
+experiment.instrument.calib_sample_transparency = 0.09127
+```
+
+This lets EasyDiffraction reproduce FullProf peak positions for datasets
+where these effects matter (e.g. the LaB₆ verification reference) when
+using the cryspy engine. The crysfml engine does not yet support these
+corrections. Until the upstream cryspy release that adds them is
+available, the LaB₆ verification page remains marked as a known
+work-in-progress and is excluded from CI.

From 487014007eab133c393542552f5b25ed3e8930ed Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Mon, 8 Jun 2026 18:58:26 +0200
Subject: [PATCH 02/41] Add CWL sample displacement and transparency parameters

---
 .../cwl-sample-displacement-transparency.md   |  4 +-
 .../experiment/categories/instrument/cwl.py   | 72 +++++++++++++++++++
 2 files changed, 74 insertions(+), 2 deletions(-)

diff --git a/docs/dev/plans/cwl-sample-displacement-transparency.md b/docs/dev/plans/cwl-sample-displacement-transparency.md
index 1360701ab..e445b4674 100644
--- a/docs/dev/plans/cwl-sample-displacement-transparency.md
+++ b/docs/dev/plans/cwl-sample-displacement-transparency.md
@@ -216,7 +216,7 @@ Docs / structure (auto-generated, do not hand-edit):
 > message. Commit locally before moving to the next step. Do not run
 > tests or `pixi run check` in Phase 1.
 
-- [ ] **P1.1 — Add the two parameters to `CwlPdInstrument`.**
+- [x] **P1.1 — Add the two parameters to `CwlPdInstrument`.**
   In `cwl.py`, inside `CwlPdInstrument.__init__`, add
   `self._calib_sample_displacement` and
   `self._calib_sample_transparency` `Parameter`s modeled on
@@ -349,7 +349,7 @@ Docs / structure (auto-generated, do not hand-edit):
 
 ## Status checklist
 
-- [ ] P1.1 Add parameters to `CwlPdInstrument`
+- [x] P1.1 Add parameters to `CwlPdInstrument`
 - [ ] P1.2 Emit offsets in cryspy CIF
 - [ ] P1.3 Update cryspy cached dict
 - [ ] P1.4 Comment crysfml non-support
diff --git a/src/easydiffraction/datablocks/experiment/categories/instrument/cwl.py b/src/easydiffraction/datablocks/experiment/categories/instrument/cwl.py
index 757e379f5..452e10477 100644
--- a/src/easydiffraction/datablocks/experiment/categories/instrument/cwl.py
+++ b/src/easydiffraction/datablocks/experiment/categories/instrument/cwl.py
@@ -130,6 +130,48 @@ def __init__(self) -> None:
             ),
         )
 
+        self._calib_sample_displacement: Parameter = Parameter(
+            name='sample_displacement',
+            description='Specimen displacement from the diffractometer axis',
+            units='degrees',
+            display_handler=DisplayHandler(
+                display_name='Sample displacement',
+                display_units='deg',
+                latex_name='Sample displacement',
+                latex_units=r'\mathrm{deg}',
+            ),
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_instr.sample_displacement',
+                ]
+            ),
+        )
+
+        self._calib_sample_transparency: Parameter = Parameter(
+            name='sample_transparency',
+            description='Sample transparency (beam penetration) shift',
+            units='degrees',
+            display_handler=DisplayHandler(
+                display_name='Sample transparency',
+                display_units='deg',
+                latex_name='Sample transparency',
+                latex_units=r'\mathrm{deg}',
+            ),
+            value_spec=AttributeSpec(
+                default=0.0,
+                validator=RangeValidator(),
+            ),
+            cif_handler=CifHandler(
+                names=[
+                    '_instr.sample_transparency',
+                ]
+            ),
+        )
+
     @property
     def calib_twotheta_offset(self) -> Parameter:
         """
@@ -144,3 +186,33 @@ def calib_twotheta_offset(self) -> Parameter:
     def calib_twotheta_offset(self, value: float) -> None:
         """Set the instrument misalignment offset (deg)."""
         self._calib_twotheta_offset.value = value
+
+    @property
+    def calib_sample_displacement(self) -> Parameter:
+        """
+        Specimen-displacement peak-position correction (deg).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._calib_sample_displacement
+
+    @calib_sample_displacement.setter
+    def calib_sample_displacement(self, value: float) -> None:
+        """Set the specimen-displacement correction (deg)."""
+        self._calib_sample_displacement.value = value
+
+    @property
+    def calib_sample_transparency(self) -> Parameter:
+        """
+        Sample-transparency peak-position correction (deg).
+
+        Reading this property returns the underlying ``Parameter``
+        object. Assigning to it updates the parameter value.
+        """
+        return self._calib_sample_transparency
+
+    @calib_sample_transparency.setter
+    def calib_sample_transparency(self, value: float) -> None:
+        """Set the sample-transparency correction (deg)."""
+        self._calib_sample_transparency.value = value

From ee0b833964a9c6331ede6c10017d088ae73cbd83 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Mon, 8 Jun 2026 18:58:50 +0200
Subject: [PATCH 03/41] Emit SyCos/SySin offsets in cryspy CWL instrument CIF

---
 docs/dev/plans/cwl-sample-displacement-transparency.md | 4 ++--
 src/easydiffraction/analysis/calculators/cryspy.py     | 2 ++
 2 files changed, 4 insertions(+), 2 deletions(-)

diff --git a/docs/dev/plans/cwl-sample-displacement-transparency.md b/docs/dev/plans/cwl-sample-displacement-transparency.md
index e445b4674..ab3c249d5 100644
--- a/docs/dev/plans/cwl-sample-displacement-transparency.md
+++ b/docs/dev/plans/cwl-sample-displacement-transparency.md
@@ -230,7 +230,7 @@ Docs / structure (auto-generated, do not hand-edit):
   Files: `src/.../instrument/cwl.py`.
   Commit: `Add CWL sample displacement and transparency parameters`
 
-- [ ] **P1.2 — Emit the corrections in the cryspy CIF.**
+- [x] **P1.2 — Emit the corrections in the cryspy CIF.**
   In `cryspy.py` `_cif_instrument_section`, CWL+powder branch, extend
   `instrument_mapping` with
   `'calib_sample_displacement': '_setup_offset_SyCos'` and
@@ -350,7 +350,7 @@ Docs / structure (auto-generated, do not hand-edit):
 ## Status checklist
 
 - [x] P1.1 Add parameters to `CwlPdInstrument`
-- [ ] P1.2 Emit offsets in cryspy CIF
+- [x] P1.2 Emit offsets in cryspy CIF
 - [ ] P1.3 Update cryspy cached dict
 - [ ] P1.4 Comment crysfml non-support
 - [ ] P1.5 Wire corrections into verification page
diff --git a/src/easydiffraction/analysis/calculators/cryspy.py b/src/easydiffraction/analysis/calculators/cryspy.py
index 2670f89e4..77ba22d38 100644
--- a/src/easydiffraction/analysis/calculators/cryspy.py
+++ b/src/easydiffraction/analysis/calculators/cryspy.py
@@ -941,6 +941,8 @@ def _cif_instrument_section(
             instrument_mapping = {
                 'setup_wavelength': '_setup_wavelength',
                 'calib_twotheta_offset': '_setup_offset_2theta',
+                'calib_sample_displacement': '_setup_offset_SyCos',
+                'calib_sample_transparency': '_setup_offset_SySin',
             }
         elif expt_type.sample_form.value == SampleFormEnum.SINGLE_CRYSTAL:
             instrument_mapping = {'setup_wavelength': '_setup_wavelength'}

From 0679b4febbca690db34c935731af7befc756a667 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Mon, 8 Jun 2026 19:00:30 +0200
Subject: [PATCH 04/41] Update cryspy dict with SyCos/SySin offsets

---
 .../plans/cwl-sample-displacement-transparency.md |  4 ++--
 .../analysis/calculators/cryspy.py                | 15 +++++++++++++++
 2 files changed, 17 insertions(+), 2 deletions(-)

diff --git a/docs/dev/plans/cwl-sample-displacement-transparency.md b/docs/dev/plans/cwl-sample-displacement-transparency.md
index ab3c249d5..4f3add8b9 100644
--- a/docs/dev/plans/cwl-sample-displacement-transparency.md
+++ b/docs/dev/plans/cwl-sample-displacement-transparency.md
@@ -238,7 +238,7 @@ Docs / structure (auto-generated, do not hand-edit):
   Files: `src/easydiffraction/analysis/calculators/cryspy.py`.
   Commit: `Emit SyCos/SySin offsets in cryspy CWL instrument CIF`
 
-- [ ] **P1.3 — Update the cached cryspy dict (fast path).**
+- [x] **P1.3 — Update the cached cryspy dict (fast path).**
   In `cryspy.py` `_update_experiment_in_cryspy_dict`, CWL+powder
   branch, set `cryspy_expt_dict['offset_sycos'][0]` and
   `cryspy_expt_dict['offset_sysin'][0]` from the two new parameters,
@@ -351,7 +351,7 @@ Docs / structure (auto-generated, do not hand-edit):
 
 - [x] P1.1 Add parameters to `CwlPdInstrument`
 - [x] P1.2 Emit offsets in cryspy CIF
-- [ ] P1.3 Update cryspy cached dict
+- [x] P1.3 Update cryspy cached dict
 - [ ] P1.4 Comment crysfml non-support
 - [ ] P1.5 Wire corrections into verification page
 - [ ] P1.6 Phase 1 review gate
diff --git a/src/easydiffraction/analysis/calculators/cryspy.py b/src/easydiffraction/analysis/calculators/cryspy.py
index 77ba22d38..1c1cd7fd7 100644
--- a/src/easydiffraction/analysis/calculators/cryspy.py
+++ b/src/easydiffraction/analysis/calculators/cryspy.py
@@ -647,6 +647,21 @@ def _update_experiment_in_cryspy_dict(
                 )
                 cryspy_expt_dict['wavelength'][0] = experiment.instrument.setup_wavelength.value
 
+                # Sample-displacement (SyCos) and transparency (SySin)
+                # peak-position corrections (cryspy PR #46). cryspy
+                # applies numpy.radians() to these internally, so the
+                # dict stores plain degrees here (unlike offset_ttheta,
+                # which is pre-converted to radians). The keys are absent
+                # on cryspy releases without PR #46, so guard before set.
+                if 'offset_sycos' in cryspy_expt_dict:
+                    cryspy_expt_dict['offset_sycos'][0] = (
+                        experiment.instrument.calib_sample_displacement.value
+                    )
+                if 'offset_sysin' in cryspy_expt_dict:
+                    cryspy_expt_dict['offset_sysin'][0] = (
+                        experiment.instrument.calib_sample_transparency.value
+                    )
+
                 # Peak
                 cryspy_resolution = cryspy_expt_dict['resolution_parameters']
                 cryspy_resolution[0] = experiment.peak.broad_gauss_u.value

From 44663389fd2704876d2d4cce883bbb796d382cdc Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Mon, 8 Jun 2026 19:01:04 +0200
Subject: [PATCH 05/41] Note crysfml lacks SyCos/SySin instrument corrections

---
 docs/dev/plans/cwl-sample-displacement-transparency.md | 4 ++--
 src/easydiffraction/analysis/calculators/crysfml.py    | 3 +++
 2 files changed, 5 insertions(+), 2 deletions(-)

diff --git a/docs/dev/plans/cwl-sample-displacement-transparency.md b/docs/dev/plans/cwl-sample-displacement-transparency.md
index 4f3add8b9..da5af1c4a 100644
--- a/docs/dev/plans/cwl-sample-displacement-transparency.md
+++ b/docs/dev/plans/cwl-sample-displacement-transparency.md
@@ -251,7 +251,7 @@ Docs / structure (auto-generated, do not hand-edit):
   Files: `src/easydiffraction/analysis/calculators/cryspy.py`.
   Commit: `Update cryspy dict with SyCos/SySin offsets`
 
-- [ ] **P1.4 — Document crysfml non-support.**
+- [x] **P1.4 — Document crysfml non-support.**
   In `crysfml.py` `_update_experiment_dict_from_instrument`, add a
   one-line comment near the instrument map noting SyCos/SySin
   (`calib_sample_displacement` / `calib_sample_transparency`) are
@@ -352,7 +352,7 @@ Docs / structure (auto-generated, do not hand-edit):
 - [x] P1.1 Add parameters to `CwlPdInstrument`
 - [x] P1.2 Emit offsets in cryspy CIF
 - [x] P1.3 Update cryspy cached dict
-- [ ] P1.4 Comment crysfml non-support
+- [x] P1.4 Comment crysfml non-support
 - [ ] P1.5 Wire corrections into verification page
 - [ ] P1.6 Phase 1 review gate
 - [ ] P2.1 Add/extend engine-free unit tests
diff --git a/src/easydiffraction/analysis/calculators/crysfml.py b/src/easydiffraction/analysis/calculators/crysfml.py
index 34e8d0cb1..9fc182a46 100644
--- a/src/easydiffraction/analysis/calculators/crysfml.py
+++ b/src/easydiffraction/analysis/calculators/crysfml.py
@@ -37,6 +37,9 @@
 _INSTRUMENT_ATTRIBUTE_MAP: tuple[tuple[str, str], ...] = (
     ('setup_wavelength', '_diffrn_radiation_wavelength'),
     ('calib_twotheta_offset', '_pd_meas_2theta_offset'),
+    # crysfml has no SyCos/SySin equivalent, so the CWL
+    # calib_sample_displacement and calib_sample_transparency
+    # corrections are intentionally left unmapped here.
     ('calib_d_to_tof_offset', '_pd_meas_tof_offset'),
     ('calib_d_to_tof_linear', '_pd_meas_tof_dtt1'),
     ('calib_d_to_tof_quad', '_pd_meas_tof_dtt2'),

From a66bd3feb7bee139a4f8c553c90459f25a4cddf9 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Mon, 8 Jun 2026 19:02:28 +0200
Subject: [PATCH 06/41] Enable SyCos/SySin corrections in LaB6 verification
 page

---
 .../cwl-sample-displacement-transparency.md   |  4 ++--
 .../pd-neut-cwl_tch-fcj_lab6.ipynb            | 22 +++++++++++--------
 .../verification/pd-neut-cwl_tch-fcj_lab6.py  | 22 +++++++++++--------
 3 files changed, 28 insertions(+), 20 deletions(-)

diff --git a/docs/dev/plans/cwl-sample-displacement-transparency.md b/docs/dev/plans/cwl-sample-displacement-transparency.md
index da5af1c4a..2a25addeb 100644
--- a/docs/dev/plans/cwl-sample-displacement-transparency.md
+++ b/docs/dev/plans/cwl-sample-displacement-transparency.md
@@ -260,7 +260,7 @@ Docs / structure (auto-generated, do not hand-edit):
   Files: `src/easydiffraction/analysis/calculators/crysfml.py`.
   Commit: `Note crysfml lacks SyCos/SySin instrument corrections`
 
-- [ ] **P1.5 — Wire the corrections into the verification page.**
+- [x] **P1.5 — Wire the corrections into the verification page.**
   In `pd-neut-cwl_tch-fcj_lab6.py`, uncomment the two correction lines
   using the new names and the empirically confirmed values
   (start from `calib_sample_displacement = 0.05395`,
@@ -353,7 +353,7 @@ Docs / structure (auto-generated, do not hand-edit):
 - [x] P1.2 Emit offsets in cryspy CIF
 - [x] P1.3 Update cryspy cached dict
 - [x] P1.4 Comment crysfml non-support
-- [ ] P1.5 Wire corrections into verification page
+- [x] P1.5 Wire corrections into verification page
 - [ ] P1.6 Phase 1 review gate
 - [ ] P2.1 Add/extend engine-free unit tests
 - [ ] P2.2 `pixi run fix`
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
index e285b2fae..51b1d8c80 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
@@ -177,15 +177,19 @@
    "id": "11",
    "metadata": {},
    "source": [
-    "## SyCos / SySin (pending EasyDiffraction support)\n",
+    "## Sample displacement / transparency (SyCos / SySin)\n",
     "\n",
     "FullProf applies sample-displacement (`SyCos`) and transparency\n",
-    "(`SySin`) peak-position shifts on top of `Zero` (see issue #117). The\n",
-    "CWL instrument category does not expose them yet, so the two lines\n",
-    "below are kept commented out with the FullProf `.pcr` values —\n",
-    "uncomment them once the parameters land to finish this page. As with\n",
-    "`Zero` (`calib_twotheta_offset` above), the cross-code convention may\n",
-    "differ, so the values may need the same adjustment when wired in."
+    "(`SySin`) peak-position shifts on top of `Zero` (see issue #117).\n",
+    "These map to `calib_sample_displacement` and\n",
+    "`calib_sample_transparency` on the CWL powder instrument. The cryspy\n",
+    "engine applies them only with the new functionality from\n",
+    "[cryspy PR #46](https://github.com/ikibalin/cryspy/pull/46); on the\n",
+    "currently released cryspy the corrections are ignored, and crysfml has\n",
+    "no equivalent, so this page stays in `ci_skip.txt` until a cryspy\n",
+    "release ships the support. As with `Zero` (`calib_twotheta_offset`\n",
+    "above), the cross-code convention may differ, so these `.pcr` values\n",
+    "may still need adjustment once validated against a PR #46 cryspy."
    ]
   },
   {
@@ -195,8 +199,8 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "# experiment.instrument.calib_sycos = 0.05395  # FullProf SyCos\n",
-    "# experiment.instrument.calib_sysin = 0.09127  # FullProf SySin"
+    "experiment.instrument.calib_sample_displacement = 0.05395  # FullProf SyCos\n",
+    "experiment.instrument.calib_sample_transparency = 0.09127  # FullProf SySin"
    ]
   },
   {
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
index 4f6cb7bed..83907b16a 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
@@ -93,19 +93,23 @@
 project.experiments.add(experiment)
 
 # %% [markdown]
-# ## SyCos / SySin (pending EasyDiffraction support)
+# ## Sample displacement / transparency (SyCos / SySin)
 #
 # FullProf applies sample-displacement (`SyCos`) and transparency
-# (`SySin`) peak-position shifts on top of `Zero` (see issue #117). The
-# CWL instrument category does not expose them yet, so the two lines
-# below are kept commented out with the FullProf `.pcr` values —
-# uncomment them once the parameters land to finish this page. As with
-# `Zero` (`calib_twotheta_offset` above), the cross-code convention may
-# differ, so the values may need the same adjustment when wired in.
+# (`SySin`) peak-position shifts on top of `Zero` (see issue #117).
+# These map to `calib_sample_displacement` and
+# `calib_sample_transparency` on the CWL powder instrument. The cryspy
+# engine applies them only with the new functionality from
+# [cryspy PR #46](https://github.com/ikibalin/cryspy/pull/46); on the
+# currently released cryspy the corrections are ignored, and crysfml has
+# no equivalent, so this page stays in `ci_skip.txt` until a cryspy
+# release ships the support. As with `Zero` (`calib_twotheta_offset`
+# above), the cross-code convention may differ, so these `.pcr` values
+# may still need adjustment once validated against a PR #46 cryspy.
 
 # %%
-# experiment.instrument.calib_sycos = 0.05395  # FullProf SyCos
-# experiment.instrument.calib_sysin = 0.09127  # FullProf SySin
+experiment.instrument.calib_sample_displacement = 0.05395  # FullProf SyCos
+experiment.instrument.calib_sample_transparency = 0.09127  # FullProf SySin
 
 # %% [markdown]
 # ## Calculate the pattern with each engine

From 6dac9a1fdf9539fd16d3697d0cb37cc7375bad24 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Mon, 8 Jun 2026 19:02:54 +0200
Subject: [PATCH 07/41] Reach Phase 1 review gate

---
 docs/dev/plans/cwl-sample-displacement-transparency.md | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/docs/dev/plans/cwl-sample-displacement-transparency.md b/docs/dev/plans/cwl-sample-displacement-transparency.md
index 2a25addeb..ceaadf24a 100644
--- a/docs/dev/plans/cwl-sample-displacement-transparency.md
+++ b/docs/dev/plans/cwl-sample-displacement-transparency.md
@@ -274,7 +274,7 @@ Docs / structure (auto-generated, do not hand-edit):
   `docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb`.
   Commit: `Enable SyCos/SySin corrections in LaB6 verification page`
 
-- [ ] **P1.6 — Phase 1 review gate** (no-code). Mark `[x]`, commit the
+- [x] **P1.6 — Phase 1 review gate** (no-code). Mark `[x]`, commit the
   checklist update alone.
   Commit: `Reach Phase 1 review gate`
 
@@ -354,7 +354,7 @@ Docs / structure (auto-generated, do not hand-edit):
 - [x] P1.3 Update cryspy cached dict
 - [x] P1.4 Comment crysfml non-support
 - [x] P1.5 Wire corrections into verification page
-- [ ] P1.6 Phase 1 review gate
+- [x] P1.6 Phase 1 review gate
 - [ ] P2.1 Add/extend engine-free unit tests
 - [ ] P2.2 `pixi run fix`
 - [ ] P2.3 `pixi run check` clean

From 996efc6bee405d7a015c26a5eafc685fc5f5b3f7 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Mon, 8 Jun 2026 20:15:24 +0200
Subject: [PATCH 08/41] Strip isotope number from atom symbol for crysfml

---
 .../analysis/calculators/crysfml.py           | 23 ++++++++++++++++++-
 1 file changed, 22 insertions(+), 1 deletion(-)

diff --git a/src/easydiffraction/analysis/calculators/crysfml.py b/src/easydiffraction/analysis/calculators/crysfml.py
index 9fc182a46..790ed9d48 100644
--- a/src/easydiffraction/analysis/calculators/crysfml.py
+++ b/src/easydiffraction/analysis/calculators/crysfml.py
@@ -71,6 +71,27 @@
 )
 
 
+def _element_symbol(type_symbol: str) -> str:
+    """
+    Strip a leading isotope number from an atom type symbol.
+
+    CrysFML resolves scattering by element and does not understand
+    isotope prefixes such as ``11B`` or ``2H`` (cryspy does). Returning
+    the bare element symbol lets one model drive both engines.
+
+    Parameters
+    ----------
+    type_symbol : str
+        Atom type symbol, optionally isotope-prefixed (e.g. ``11B``).
+
+    Returns
+    -------
+    str
+        The symbol with any leading digits removed (e.g. ``B``).
+    """
+    return type_symbol.lstrip('0123456789')
+
+
 @CalculatorFactory.register
 class CrysfmlCalculator(CalculatorBase):
     """Wrapper for Crysfml library."""
@@ -265,7 +286,7 @@ def _convert_structure_to_dict(  # noqa: PLR6301
         for atom in structure.atom_sites:
             atom_site = {
                 '_label': atom.label.value,
-                '_type_symbol': atom.type_symbol.value,
+                '_type_symbol': _element_symbol(atom.type_symbol.value),
                 '_fract_x': atom.fract_x.value,
                 '_fract_y': atom.fract_y.value,
                 '_fract_z': atom.fract_z.value,

From 0d3949229d91460432b96eb6787195b4acceece6 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Mon, 8 Jun 2026 20:24:04 +0200
Subject: [PATCH 09/41] Refine SyCos/SySin and use 11B in LaB6 verification
 page

---
 docs/docs/verification/ci_skip.txt            |   2 +-
 .../pd-neut-cwl_tch-fcj_lab6.ipynb            | 100 +++++++++++-------
 .../verification/pd-neut-cwl_tch-fcj_lab6.py  |  91 ++++++++++------
 3 files changed, 120 insertions(+), 73 deletions(-)

diff --git a/docs/docs/verification/ci_skip.txt b/docs/docs/verification/ci_skip.txt
index 9da54f03d..8869f6498 100644
--- a/docs/docs/verification/ci_skip.txt
+++ b/docs/docs/verification/ci_skip.txt
@@ -14,5 +14,5 @@
 #
 # Example (do not leave commented examples as active entries):
 pd-neut-cwl_pv-asym_empir_pbso4  # Asymmetry params are different
-pd-neut-cwl_tch-fcj_lab6  # SyCos/SySin, 11B scattering, TCH/FCJ (cryspy PR #46)
+pd-neut-cwl_tch-fcj_lab6  # needs unreleased cryspy PR #46 (SyCos/SySin); residual TCH/FCJ profile diff
 pd-neut-tof_jvd_si  # cryspy TOF Lorentzian discrepancy; see issues/open.md
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
index 51b1d8c80..d315b5e3e 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
@@ -26,10 +26,25 @@
    "source": [
     "# LaB₆ — neutron powder, constant wavelength, Thompson–Cox–Hastings\n",
     "\n",
-    "A **prepared** verification for the FullProf `SyCos`/`SySin` systematic\n",
-    "peak-position corrections (sample displacement and transparency), using\n",
-    "the real LaB6 dataset from\n",
-    "[cryspy issue #38](https://github.com/ikibalin/cryspy/issues/38).\n"
+    "This page verifies the FullProf `SyCos`/`SySin` systematic\n",
+    "peak-position corrections (sample displacement and transparency) for a\n",
+    "constant-wavelength powder experiment, using the real LaB₆ dataset from\n",
+    "[cryspy issue #38](https://github.com/ikibalin/cryspy/issues/38).\n",
+    "\n",
+    "`SyCos`/`SySin` map to `calib_sample_displacement` and\n",
+    "`calib_sample_transparency` on the CWL powder instrument. Only the\n",
+    "`cryspy` engine applies them, and only with the functionality added in\n",
+    "[cryspy PR #46](https://github.com/ikibalin/cryspy/pull/46); the\n",
+    "`crysfml` engine has no equivalent. Because FullProf and cryspy use\n",
+    "**different coefficient conventions** for these corrections (and a\n",
+    "different absolute-intensity scale), the `.pcr` values are used only as\n",
+    "starting points: the page **refines** `scale`, `calib_sample_displacement`\n",
+    "and `calib_sample_transparency` against the FullProf profile with cryspy,\n",
+    "then reuses the refined `scale` for crysfml (which keeps a peak-position\n",
+    "offset, since it cannot apply the corrections).\n",
+    "\n",
+    "The page stays listed in `ci_skip.txt` until a released cryspy ships the\n",
+    "PR #46 corrections."
    ]
   },
   {
@@ -96,7 +111,11 @@
    "id": "7",
    "metadata": {},
    "source": [
-    "## Define the structure"
+    "## Define the structure\n",
+    "\n",
+    "Boron is the ¹¹B isotope (FullProf `B11`). The `cryspy` engine resolves\n",
+    "the isotope directly; the `crysfml` engine resolves scattering by\n",
+    "element and silently drops the isotope number (`11B` → `B`)."
    ]
   },
   {
@@ -116,14 +135,11 @@
     "    fract_y=0.0,  # FullProf Y\n",
     "    fract_z=0.0,  # FullProf Z\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=0.53405,  # FullProf Biso\n",
+    "    adp_iso=0.53399,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='B',  # FullProf Atom\n",
-    "    # ❌ <built-in function f_cw_powder_pattern_from_dict> returned a\n",
-    "    # result with an exception set\n",
-    "    # type_symbol='11B',  # FullProf \"B11     0.66500    0.00000   0\"\n",
-    "    type_symbol='B',  # FullProf \"B11     0.66500    0.00000   0\"\n",
+    "    type_symbol='11B',  # FullProf \"B11     0.66500    0.00000   0\"\n",
     "    fract_x=0.19972,  # FullProf X\n",
     "    fract_y=0.5,  # FullProf Y\n",
     "    fract_z=0.5,  # FullProf Z\n",
@@ -139,7 +155,11 @@
    "id": "9",
    "metadata": {},
    "source": [
-    "## Create the experiment"
+    "## Create the experiment\n",
+    "\n",
+    "Starting values are taken from `ECH0030684_LaB6_1p622A.pcr`. The\n",
+    "`SyCos`/`SySin` values are FullProf-convention starting points and are\n",
+    "refined below into cryspy's equivalents."
    ]
   },
   {
@@ -158,16 +178,18 @@
     ")\n",
     "verify.set_reference_as_measured(experiment, x, calc_fullprof)\n",
     "\n",
-    "experiment.linked_phases.create(id='lab6', scale=136.0509)  # FullProf Scale\n",
+    "experiment.linked_phases.create(id='lab6', scale=136.0507)  # FullProf Scale\n",
     "\n",
     "experiment.instrument.setup_wavelength = 1.623891  # FullProf Lambda\n",
-    "experiment.instrument.calib_twotheta_offset = -0.45497  # FullProf Zero\n",
+    "experiment.instrument.calib_twotheta_offset = -0.45501  # FullProf Zero\n",
+    "experiment.instrument.calib_sample_displacement = 0.01052  # FullProf SyCos\n",
+    "experiment.instrument.calib_sample_transparency = 0.24192  # FullProf SySin\n",
     "\n",
-    "experiment.peak.broad_gauss_u = 0.143361  # FullProf U\n",
-    "experiment.peak.broad_gauss_v = -0.522147  # FullProf V\n",
-    "experiment.peak.broad_gauss_w = 0.590413  # FullProf W\n",
+    "experiment.peak.broad_gauss_u = 0.143363  # FullProf U\n",
+    "experiment.peak.broad_gauss_v = -0.522167  # FullProf V\n",
+    "experiment.peak.broad_gauss_w = 0.590411  # FullProf W\n",
     "experiment.peak.broad_lorentz_x = 0.0  # FullProf X\n",
-    "experiment.peak.broad_lorentz_y = 0.054268  # FullProf Y\n",
+    "experiment.peak.broad_lorentz_y = 0.054276  # FullProf Y\n",
     "\n",
     "project.experiments.add(experiment)"
    ]
@@ -177,19 +199,12 @@
    "id": "11",
    "metadata": {},
    "source": [
-    "## Sample displacement / transparency (SyCos / SySin)\n",
+    "## Refine scale, sample displacement and transparency\n",
     "\n",
-    "FullProf applies sample-displacement (`SyCos`) and transparency\n",
-    "(`SySin`) peak-position shifts on top of `Zero` (see issue #117).\n",
-    "These map to `calib_sample_displacement` and\n",
-    "`calib_sample_transparency` on the CWL powder instrument. The cryspy\n",
-    "engine applies them only with the new functionality from\n",
-    "[cryspy PR #46](https://github.com/ikibalin/cryspy/pull/46); on the\n",
-    "currently released cryspy the corrections are ignored, and crysfml has\n",
-    "no equivalent, so this page stays in `ci_skip.txt` until a cryspy\n",
-    "release ships the support. As with `Zero` (`calib_twotheta_offset`\n",
-    "above), the cross-code convention may differ, so these `.pcr` values\n",
-    "may still need adjustment once validated against a PR #46 cryspy."
+    "FullProf's `SyCos`/`SySin` coefficients do not transfer numerically to\n",
+    "cryspy, and the two codes use a different absolute-intensity scale, so\n",
+    "`scale`, `calib_sample_displacement` and `calib_sample_transparency`\n",
+    "are refined against the FullProf profile using cryspy."
    ]
   },
   {
@@ -199,8 +214,11 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "experiment.instrument.calib_sample_displacement = 0.05395  # FullProf SyCos\n",
-    "experiment.instrument.calib_sample_transparency = 0.09127  # FullProf SySin"
+    "experiment.calculator.type = 'cryspy'\n",
+    "experiment.linked_phases['lab6'].scale.free = True\n",
+    "experiment.instrument.calib_sample_displacement.free = True\n",
+    "experiment.instrument.calib_sample_transparency.free = True\n",
+    "project.analysis.fit()"
    ]
   },
   {
@@ -208,7 +226,11 @@
    "id": "13",
    "metadata": {},
    "source": [
-    "## Calculate the pattern with each engine"
+    "## Calculate the pattern with each engine\n",
+    "\n",
+    "`cryspy` uses the refined `scale` and the refined sample-displacement\n",
+    "and transparency corrections. `crysfml` reuses the same refined `scale`\n",
+    "but cannot apply the corrections, so it keeps a peak-position offset."
    ]
   },
   {
@@ -229,10 +251,9 @@
    "source": [
     "## Compare each engine against FullProf\n",
     "\n",
-    "Until the corrections above are supported the engines will show\n",
-    "systematic peak-position offsets against the FullProf calculated\n",
-    "profile, which is the discrepancy this page is being prepared to\n",
-    "verify."
+    "After refinement `cryspy` reproduces the FullProf peak positions; the\n",
+    "residual is the remaining profile-shape difference. `crysfml` shows the\n",
+    "systematic peak-position offset expected without `SyCos`/`SySin`."
    ]
   },
   {
@@ -298,8 +319,11 @@
    "source": [
     "## Agreement check\n",
     "\n",
-    "Reported without failing CI (`raise_on_failure=False`) while the\n",
-    "corrections are unsupported; the page is also skipped via `ci_skip.txt`."
+    "Reported without failing CI (`raise_on_failure=False`): `cryspy`\n",
+    "reproduces the FullProf peak positions after refinement but a\n",
+    "profile-shape difference remains, and `crysfml` cannot apply the\n",
+    "corrections. The page is also skipped via `ci_skip.txt` until a\n",
+    "released cryspy ships the PR #46 support."
    ]
   },
   {
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
index 83907b16a..a78bda9c7 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
@@ -1,11 +1,25 @@
 # %% [markdown]
 # # LaB₆ — neutron powder, constant wavelength, Thompson–Cox–Hastings
 #
-# A **prepared** verification for the FullProf `SyCos`/`SySin` systematic
-# peak-position corrections (sample displacement and transparency), using
-# the real LaB6 dataset from
+# This page verifies the FullProf `SyCos`/`SySin` systematic
+# peak-position corrections (sample displacement and transparency) for a
+# constant-wavelength powder experiment, using the real LaB₆ dataset from
 # [cryspy issue #38](https://github.com/ikibalin/cryspy/issues/38).
 #
+# `SyCos`/`SySin` map to `calib_sample_displacement` and
+# `calib_sample_transparency` on the CWL powder instrument. Only the
+# `cryspy` engine applies them, and only with the functionality added in
+# [cryspy PR #46](https://github.com/ikibalin/cryspy/pull/46); the
+# `crysfml` engine has no equivalent. Because FullProf and cryspy use
+# **different coefficient conventions** for these corrections (and a
+# different absolute-intensity scale), the `.pcr` values are used only as
+# starting points: the page **refines** `scale`, `calib_sample_displacement`
+# and `calib_sample_transparency` against the FullProf profile with cryspy,
+# then reuses the refined `scale` for crysfml (which keeps a peak-position
+# offset, since it cannot apply the corrections).
+#
+# The page stays listed in `ci_skip.txt` until a released cryspy ships the
+# PR #46 corrections.
 
 # %%
 import easydiffraction as ed
@@ -37,6 +51,10 @@
 
 # %% [markdown]
 # ## Define the structure
+#
+# Boron is the ¹¹B isotope (FullProf `B11`). The `cryspy` engine resolves
+# the isotope directly; the `crysfml` engine resolves scattering by
+# element and silently drops the isotope number (`11B` → `B`).
 
 # %%
 structure = StructureFactory.from_scratch(name='lab6')
@@ -49,14 +67,11 @@
     fract_y=0.0,  # FullProf Y
     fract_z=0.0,  # FullProf Z
     adp_type='Biso',  # FullProf Biso
-    adp_iso=0.53405,  # FullProf Biso
+    adp_iso=0.53399,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='B',  # FullProf Atom
-    # ❌ <built-in function f_cw_powder_pattern_from_dict> returned a
-    # result with an exception set
-    # type_symbol='11B',  # FullProf "B11     0.66500    0.00000   0"
-    type_symbol='B',  # FullProf "B11     0.66500    0.00000   0"
+    type_symbol='11B',  # FullProf "B11     0.66500    0.00000   0"
     fract_x=0.19972,  # FullProf X
     fract_y=0.5,  # FullProf Y
     fract_z=0.5,  # FullProf Z
@@ -68,6 +83,10 @@
 
 # %% [markdown]
 # ## Create the experiment
+#
+# Starting values are taken from `ECH0030684_LaB6_1p622A.pcr`. The
+# `SyCos`/`SySin` values are FullProf-convention starting points and are
+# refined below into cryspy's equivalents.
 
 # %%
 experiment = ExperimentFactory.from_scratch(
@@ -79,40 +98,42 @@
 )
 verify.set_reference_as_measured(experiment, x, calc_fullprof)
 
-experiment.linked_phases.create(id='lab6', scale=136.0509)  # FullProf Scale
+experiment.linked_phases.create(id='lab6', scale=136.0507)  # FullProf Scale
 
 experiment.instrument.setup_wavelength = 1.623891  # FullProf Lambda
-experiment.instrument.calib_twotheta_offset = -0.45497  # FullProf Zero
+experiment.instrument.calib_twotheta_offset = -0.45501  # FullProf Zero
+experiment.instrument.calib_sample_displacement = 0.01052  # FullProf SyCos
+experiment.instrument.calib_sample_transparency = 0.24192  # FullProf SySin
 
-experiment.peak.broad_gauss_u = 0.143361  # FullProf U
-experiment.peak.broad_gauss_v = -0.522147  # FullProf V
-experiment.peak.broad_gauss_w = 0.590413  # FullProf W
+experiment.peak.broad_gauss_u = 0.143363  # FullProf U
+experiment.peak.broad_gauss_v = -0.522167  # FullProf V
+experiment.peak.broad_gauss_w = 0.590411  # FullProf W
 experiment.peak.broad_lorentz_x = 0.0  # FullProf X
-experiment.peak.broad_lorentz_y = 0.054268  # FullProf Y
+experiment.peak.broad_lorentz_y = 0.054276  # FullProf Y
 
 project.experiments.add(experiment)
 
 # %% [markdown]
-# ## Sample displacement / transparency (SyCos / SySin)
+# ## Refine scale, sample displacement and transparency
 #
-# FullProf applies sample-displacement (`SyCos`) and transparency
-# (`SySin`) peak-position shifts on top of `Zero` (see issue #117).
-# These map to `calib_sample_displacement` and
-# `calib_sample_transparency` on the CWL powder instrument. The cryspy
-# engine applies them only with the new functionality from
-# [cryspy PR #46](https://github.com/ikibalin/cryspy/pull/46); on the
-# currently released cryspy the corrections are ignored, and crysfml has
-# no equivalent, so this page stays in `ci_skip.txt` until a cryspy
-# release ships the support. As with `Zero` (`calib_twotheta_offset`
-# above), the cross-code convention may differ, so these `.pcr` values
-# may still need adjustment once validated against a PR #46 cryspy.
+# FullProf's `SyCos`/`SySin` coefficients do not transfer numerically to
+# cryspy, and the two codes use a different absolute-intensity scale, so
+# `scale`, `calib_sample_displacement` and `calib_sample_transparency`
+# are refined against the FullProf profile using cryspy.
 
 # %%
-experiment.instrument.calib_sample_displacement = 0.05395  # FullProf SyCos
-experiment.instrument.calib_sample_transparency = 0.09127  # FullProf SySin
+experiment.calculator.type = 'cryspy'
+experiment.linked_phases['lab6'].scale.free = True
+experiment.instrument.calib_sample_displacement.free = True
+experiment.instrument.calib_sample_transparency.free = True
+project.analysis.fit()
 
 # %% [markdown]
 # ## Calculate the pattern with each engine
+#
+# `cryspy` uses the refined `scale` and the refined sample-displacement
+# and transparency corrections. `crysfml` reuses the same refined `scale`
+# but cannot apply the corrections, so it keeps a peak-position offset.
 
 # %%
 calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')
@@ -121,10 +142,9 @@
 # %% [markdown]
 # ## Compare each engine against FullProf
 #
-# Until the corrections above are supported the engines will show
-# systematic peak-position offsets against the FullProf calculated
-# profile, which is the discrepancy this page is being prepared to
-# verify.
+# After refinement `cryspy` reproduces the FullProf peak positions; the
+# residual is the remaining profile-shape difference. `crysfml` shows the
+# systematic peak-position offset expected without `SyCos`/`SySin`.
 
 # %%
 project.display.pattern_comparison(
@@ -159,8 +179,11 @@
 # %% [markdown]
 # ## Agreement check
 #
-# Reported without failing CI (`raise_on_failure=False`) while the
-# corrections are unsupported; the page is also skipped via `ci_skip.txt`.
+# Reported without failing CI (`raise_on_failure=False`): `cryspy`
+# reproduces the FullProf peak positions after refinement but a
+# profile-shape difference remains, and `crysfml` cannot apply the
+# corrections. The page is also skipped via `ci_skip.txt` until a
+# released cryspy ships the PR #46 support.
 
 # %%
 verify.assert_patterns_agree(

From 22c6ea0d8398743019120005224601cae4e75163 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Mon, 8 Jun 2026 20:30:25 +0200
Subject: [PATCH 10/41] Restructure LaB6 page: compare engines, then refine
 cryspy

---
 .../pd-neut-cwl_tch-fcj_lab6.ipynb            | 205 ++++++++++++------
 .../verification/pd-neut-cwl_tch-fcj_lab6.py  | 127 +++++++----
 2 files changed, 222 insertions(+), 110 deletions(-)

diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
index d315b5e3e..73cb53ec6 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
@@ -26,25 +26,26 @@
    "source": [
     "# LaB₆ — neutron powder, constant wavelength, Thompson–Cox–Hastings\n",
     "\n",
-    "This page verifies the FullProf `SyCos`/`SySin` systematic\n",
-    "peak-position corrections (sample displacement and transparency) for a\n",
-    "constant-wavelength powder experiment, using the real LaB₆ dataset from\n",
+    "This page calculates the **same** LaB₆ diffraction pattern with each\n",
+    "EasyDiffraction engine (`cryspy`, `crysfml`) and compares both against a\n",
+    "**FullProf** reference profile on identical input parameters, then\n",
+    "investigates the discrepancy by refinement. It uses the real LaB₆\n",
+    "dataset from\n",
     "[cryspy issue #38](https://github.com/ikibalin/cryspy/issues/38).\n",
     "\n",
-    "`SyCos`/`SySin` map to `calib_sample_displacement` and\n",
-    "`calib_sample_transparency` on the CWL powder instrument. Only the\n",
-    "`cryspy` engine applies them, and only with the functionality added in\n",
+    "The page targets the FullProf `SyCos`/`SySin` systematic peak-position\n",
+    "corrections (sample displacement and transparency), which map to\n",
+    "`calib_sample_displacement` and `calib_sample_transparency` on the CWL\n",
+    "powder instrument. Only the `cryspy` engine applies them, and only with\n",
+    "the functionality added in\n",
     "[cryspy PR #46](https://github.com/ikibalin/cryspy/pull/46); the\n",
     "`crysfml` engine has no equivalent. Because FullProf and cryspy use\n",
-    "**different coefficient conventions** for these corrections (and a\n",
-    "different absolute-intensity scale), the `.pcr` values are used only as\n",
-    "starting points: the page **refines** `scale`, `calib_sample_displacement`\n",
-    "and `calib_sample_transparency` against the FullProf profile with cryspy,\n",
-    "then reuses the refined `scale` for crysfml (which keeps a peak-position\n",
-    "offset, since it cannot apply the corrections).\n",
-    "\n",
-    "The page stays listed in `ci_skip.txt` until a released cryspy ships the\n",
-    "PR #46 corrections."
+    "different coefficient conventions for these corrections (and a\n",
+    "different absolute-intensity scale), the FullProf values are used as\n",
+    "starting points and the discrepancy is investigated by refining\n",
+    "`scale`, `calib_sample_displacement` and `calib_sample_transparency`\n",
+    "with `cryspy`. The page stays listed in `ci_skip.txt` until a released\n",
+    "cryspy ships the PR #46 corrections."
    ]
   },
   {
@@ -157,9 +158,7 @@
    "source": [
     "## Create the experiment\n",
     "\n",
-    "Starting values are taken from `ECH0030684_LaB6_1p622A.pcr`. The\n",
-    "`SyCos`/`SySin` values are FullProf-convention starting points and are\n",
-    "refined below into cryspy's equivalents."
+    "Starting values are taken from `ECH0030684_LaB6_1p622A.pcr`."
    ]
   },
   {
@@ -199,12 +198,7 @@
    "id": "11",
    "metadata": {},
    "source": [
-    "## Refine scale, sample displacement and transparency\n",
-    "\n",
-    "FullProf's `SyCos`/`SySin` coefficients do not transfer numerically to\n",
-    "cryspy, and the two codes use a different absolute-intensity scale, so\n",
-    "`scale`, `calib_sample_displacement` and `calib_sample_transparency`\n",
-    "are refined against the FullProf profile using cryspy."
+    "## Calculate the pattern with each engine"
    ]
   },
   {
@@ -213,32 +207,6 @@
    "id": "12",
    "metadata": {},
    "outputs": [],
-   "source": [
-    "experiment.calculator.type = 'cryspy'\n",
-    "experiment.linked_phases['lab6'].scale.free = True\n",
-    "experiment.instrument.calib_sample_displacement.free = True\n",
-    "experiment.instrument.calib_sample_transparency.free = True\n",
-    "project.analysis.fit()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "13",
-   "metadata": {},
-   "source": [
-    "## Calculate the pattern with each engine\n",
-    "\n",
-    "`cryspy` uses the refined `scale` and the refined sample-displacement\n",
-    "and transparency corrections. `crysfml` reuses the same refined `scale`\n",
-    "but cannot apply the corrections, so it keeps a peak-position offset."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "14",
-   "metadata": {},
-   "outputs": [],
    "source": [
     "calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')\n",
     "calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')"
@@ -246,20 +214,21 @@
   },
   {
    "cell_type": "markdown",
-   "id": "15",
+   "id": "13",
    "metadata": {},
    "source": [
     "## Compare each engine against FullProf\n",
     "\n",
-    "After refinement `cryspy` reproduces the FullProf peak positions; the\n",
-    "residual is the remaining profile-shape difference. `crysfml` shows the\n",
-    "systematic peak-position offset expected without `SyCos`/`SySin`."
+    "At the FullProf input values the engines differ from the FullProf\n",
+    "reference: the absolute-intensity scale and the `SyCos`/`SySin`\n",
+    "coefficient conventions are not shared between codes, and `crysfml`\n",
+    "cannot apply the corrections at all."
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "16",
+   "id": "14",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -275,7 +244,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "17",
+   "id": "15",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -290,7 +259,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "18",
+   "id": "16",
    "metadata": {},
    "source": [
     "## Compare the two engines with each other"
@@ -299,7 +268,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "19",
+   "id": "17",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -314,22 +283,20 @@
   },
   {
    "cell_type": "markdown",
-   "id": "20",
+   "id": "18",
    "metadata": {},
    "source": [
     "## Agreement check\n",
     "\n",
-    "Reported without failing CI (`raise_on_failure=False`): `cryspy`\n",
-    "reproduces the FullProf peak positions after refinement but a\n",
-    "profile-shape difference remains, and `crysfml` cannot apply the\n",
-    "corrections. The page is also skipped via `ci_skip.txt` until a\n",
-    "released cryspy ships the PR #46 support."
+    "Reported without failing CI (`raise_on_failure=False`); the page is also\n",
+    "skipped via `ci_skip.txt` while the corrections require an unreleased\n",
+    "cryspy."
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "21",
+   "id": "19",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -342,6 +309,114 @@
     "    raise_on_failure=False,\n",
     ")"
    ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "20",
+   "metadata": {},
+   "source": [
+    "## Investigate the discrepancy by refinement\n",
+    "\n",
+    "Because the FullProf profile is already loaded as the measured data, we\n",
+    "can test directly whether `cryspy` can reproduce it: refine the\n",
+    "absolute `scale` together with `calib_sample_displacement` and\n",
+    "`calib_sample_transparency`, keeping the structure and every other\n",
+    "parameter fixed, and check how far the corrections have to move to\n",
+    "match FullProf. `crysfml` is not refined — it has no `SyCos`/`SySin`\n",
+    "equivalent."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "21",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.calculator.type = 'cryspy'\n",
+    "project.analysis.minimizer.type = 'lmfit'\n",
+    "\n",
+    "# Free only the absolute scale and the two peak-position corrections; the\n",
+    "# structure stays fixed, so a good fit confirms the difference is a\n",
+    "# scale/correction-convention difference, not a structural disagreement.\n",
+    "experiment.linked_phases['lab6'].scale.free = True\n",
+    "experiment.instrument.calib_sample_displacement.free = True\n",
+    "experiment.instrument.calib_sample_transparency.free = True"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "22",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.analysis.fit()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "23",
+   "metadata": {},
+   "source": [
+    "## Goodness of fit and refined parameters\n",
+    "\n",
+    "The reference is a calculation-only profile with unit uncertainties, so\n",
+    "the absolute reduced χ² and R-factors are not normalised goodness-of-fit\n",
+    "values; the **scale-independent before/after closeness table** below is\n",
+    "the meaningful measure of the improvement."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "24",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project.display.fit.results()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "25",
+   "metadata": {},
+   "source": [
+    "## Refined cryspy vs FullProf\n",
+    "\n",
+    "The refined `cryspy` pattern overlaid on the FullProf reference, then a\n",
+    "before/after table of the closeness metrics. A residual profile-shape\n",
+    "difference remains, which is why the page is not yet a passing\n",
+    "regression check."
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "26",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "calc_ed_cryspy_refined = verify.calculate_pattern(project, experiment, 'cryspy')\n",
+    "\n",
+    "project.display.pattern_comparison(\n",
+    "    'lab6',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_cryspy_refined,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='EasyDiffraction (cryspy, refined)',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "27",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "verify.report_refinement_closeness(calc_fullprof, calc_ed_cryspy, calc_ed_cryspy_refined)"
+   ]
   }
  ],
  "metadata": {
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
index a78bda9c7..4aeff459f 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
@@ -1,25 +1,26 @@
 # %% [markdown]
 # # LaB₆ — neutron powder, constant wavelength, Thompson–Cox–Hastings
 #
-# This page verifies the FullProf `SyCos`/`SySin` systematic
-# peak-position corrections (sample displacement and transparency) for a
-# constant-wavelength powder experiment, using the real LaB₆ dataset from
+# This page calculates the **same** LaB₆ diffraction pattern with each
+# EasyDiffraction engine (`cryspy`, `crysfml`) and compares both against a
+# **FullProf** reference profile on identical input parameters, then
+# investigates the discrepancy by refinement. It uses the real LaB₆
+# dataset from
 # [cryspy issue #38](https://github.com/ikibalin/cryspy/issues/38).
 #
-# `SyCos`/`SySin` map to `calib_sample_displacement` and
-# `calib_sample_transparency` on the CWL powder instrument. Only the
-# `cryspy` engine applies them, and only with the functionality added in
+# The page targets the FullProf `SyCos`/`SySin` systematic peak-position
+# corrections (sample displacement and transparency), which map to
+# `calib_sample_displacement` and `calib_sample_transparency` on the CWL
+# powder instrument. Only the `cryspy` engine applies them, and only with
+# the functionality added in
 # [cryspy PR #46](https://github.com/ikibalin/cryspy/pull/46); the
 # `crysfml` engine has no equivalent. Because FullProf and cryspy use
-# **different coefficient conventions** for these corrections (and a
-# different absolute-intensity scale), the `.pcr` values are used only as
-# starting points: the page **refines** `scale`, `calib_sample_displacement`
-# and `calib_sample_transparency` against the FullProf profile with cryspy,
-# then reuses the refined `scale` for crysfml (which keeps a peak-position
-# offset, since it cannot apply the corrections).
-#
-# The page stays listed in `ci_skip.txt` until a released cryspy ships the
-# PR #46 corrections.
+# different coefficient conventions for these corrections (and a
+# different absolute-intensity scale), the FullProf values are used as
+# starting points and the discrepancy is investigated by refining
+# `scale`, `calib_sample_displacement` and `calib_sample_transparency`
+# with `cryspy`. The page stays listed in `ci_skip.txt` until a released
+# cryspy ships the PR #46 corrections.
 
 # %%
 import easydiffraction as ed
@@ -84,9 +85,7 @@
 # %% [markdown]
 # ## Create the experiment
 #
-# Starting values are taken from `ECH0030684_LaB6_1p622A.pcr`. The
-# `SyCos`/`SySin` values are FullProf-convention starting points and are
-# refined below into cryspy's equivalents.
+# Starting values are taken from `ECH0030684_LaB6_1p622A.pcr`.
 
 # %%
 experiment = ExperimentFactory.from_scratch(
@@ -113,27 +112,8 @@
 
 project.experiments.add(experiment)
 
-# %% [markdown]
-# ## Refine scale, sample displacement and transparency
-#
-# FullProf's `SyCos`/`SySin` coefficients do not transfer numerically to
-# cryspy, and the two codes use a different absolute-intensity scale, so
-# `scale`, `calib_sample_displacement` and `calib_sample_transparency`
-# are refined against the FullProf profile using cryspy.
-
-# %%
-experiment.calculator.type = 'cryspy'
-experiment.linked_phases['lab6'].scale.free = True
-experiment.instrument.calib_sample_displacement.free = True
-experiment.instrument.calib_sample_transparency.free = True
-project.analysis.fit()
-
 # %% [markdown]
 # ## Calculate the pattern with each engine
-#
-# `cryspy` uses the refined `scale` and the refined sample-displacement
-# and transparency corrections. `crysfml` reuses the same refined `scale`
-# but cannot apply the corrections, so it keeps a peak-position offset.
 
 # %%
 calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')
@@ -142,9 +122,10 @@
 # %% [markdown]
 # ## Compare each engine against FullProf
 #
-# After refinement `cryspy` reproduces the FullProf peak positions; the
-# residual is the remaining profile-shape difference. `crysfml` shows the
-# systematic peak-position offset expected without `SyCos`/`SySin`.
+# At the FullProf input values the engines differ from the FullProf
+# reference: the absolute-intensity scale and the `SyCos`/`SySin`
+# coefficient conventions are not shared between codes, and `crysfml`
+# cannot apply the corrections at all.
 
 # %%
 project.display.pattern_comparison(
@@ -179,11 +160,9 @@
 # %% [markdown]
 # ## Agreement check
 #
-# Reported without failing CI (`raise_on_failure=False`): `cryspy`
-# reproduces the FullProf peak positions after refinement but a
-# profile-shape difference remains, and `crysfml` cannot apply the
-# corrections. The page is also skipped via `ci_skip.txt` until a
-# released cryspy ships the PR #46 support.
+# Reported without failing CI (`raise_on_failure=False`); the page is also
+# skipped via `ci_skip.txt` while the corrections require an unreleased
+# cryspy.
 
 # %%
 verify.assert_patterns_agree(
@@ -194,3 +173,61 @@
     ],
     raise_on_failure=False,
 )
+
+# %% [markdown]
+# ## Investigate the discrepancy by refinement
+#
+# Because the FullProf profile is already loaded as the measured data, we
+# can test directly whether `cryspy` can reproduce it: refine the
+# absolute `scale` together with `calib_sample_displacement` and
+# `calib_sample_transparency`, keeping the structure and every other
+# parameter fixed, and check how far the corrections have to move to
+# match FullProf. `crysfml` is not refined — it has no `SyCos`/`SySin`
+# equivalent.
+
+# %%
+experiment.calculator.type = 'cryspy'
+project.analysis.minimizer.type = 'lmfit'
+
+# Free only the absolute scale and the two peak-position corrections; the
+# structure stays fixed, so a good fit confirms the difference is a
+# scale/correction-convention difference, not a structural disagreement.
+experiment.linked_phases['lab6'].scale.free = True
+experiment.instrument.calib_sample_displacement.free = True
+experiment.instrument.calib_sample_transparency.free = True
+
+# %%
+project.analysis.fit()
+
+# %% [markdown]
+# ## Goodness of fit and refined parameters
+#
+# The reference is a calculation-only profile with unit uncertainties, so
+# the absolute reduced χ² and R-factors are not normalised goodness-of-fit
+# values; the **scale-independent before/after closeness table** below is
+# the meaningful measure of the improvement.
+
+# %%
+project.display.fit.results()
+
+# %% [markdown]
+# ## Refined cryspy vs FullProf
+#
+# The refined `cryspy` pattern overlaid on the FullProf reference, then a
+# before/after table of the closeness metrics. A residual profile-shape
+# difference remains, which is why the page is not yet a passing
+# regression check.
+
+# %%
+calc_ed_cryspy_refined = verify.calculate_pattern(project, experiment, 'cryspy')
+
+project.display.pattern_comparison(
+    'lab6',
+    reference=calc_fullprof,
+    candidate=calc_ed_cryspy_refined,
+    reference_label='FullProf',
+    candidate_label='EasyDiffraction (cryspy, refined)',
+)
+
+# %%
+verify.report_refinement_closeness(calc_fullprof, calc_ed_cryspy, calc_ed_cryspy_refined)

From 8570ce6e36ceb7a551f7c23c658557339d6b318b Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Mon, 8 Jun 2026 20:33:49 +0200
Subject: [PATCH 11/41] Drop Zero offset from LaB6 page to match other pages

---
 docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb | 1 -
 docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py    | 1 -
 2 files changed, 2 deletions(-)

diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
index 73cb53ec6..cb080bfce 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
@@ -180,7 +180,6 @@
     "experiment.linked_phases.create(id='lab6', scale=136.0507)  # FullProf Scale\n",
     "\n",
     "experiment.instrument.setup_wavelength = 1.623891  # FullProf Lambda\n",
-    "experiment.instrument.calib_twotheta_offset = -0.45501  # FullProf Zero\n",
     "experiment.instrument.calib_sample_displacement = 0.01052  # FullProf SyCos\n",
     "experiment.instrument.calib_sample_transparency = 0.24192  # FullProf SySin\n",
     "\n",
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
index 4aeff459f..23e43fd1d 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
@@ -100,7 +100,6 @@
 experiment.linked_phases.create(id='lab6', scale=136.0507)  # FullProf Scale
 
 experiment.instrument.setup_wavelength = 1.623891  # FullProf Lambda
-experiment.instrument.calib_twotheta_offset = -0.45501  # FullProf Zero
 experiment.instrument.calib_sample_displacement = 0.01052  # FullProf SyCos
 experiment.instrument.calib_sample_transparency = 0.24192  # FullProf SySin
 

From 570a8e4b1d8c8aab5c2174ae5d877b91a1f35c7e Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 14:24:48 +0200
Subject: [PATCH 12/41] Add public Analysis.calculate() method

Mirrors fit() as the non-fitting trigger that refreshes structures and
experiments so experiment.data.intensity_calc reflects current params.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 src/easydiffraction/analysis/analysis.py | 16 ++++++++++++++++
 1 file changed, 16 insertions(+)

diff --git a/src/easydiffraction/analysis/analysis.py b/src/easydiffraction/analysis/analysis.py
index e16d55c83..6d82dda76 100644
--- a/src/easydiffraction/analysis/analysis.py
+++ b/src/easydiffraction/analysis/analysis.py
@@ -1287,6 +1287,22 @@ def fit(
         except KeyboardInterrupt:
             self._handle_fit_interrupted(verbosity=verb)
 
+    def calculate(self) -> None:
+        """
+        Calculate the diffraction pattern for every experiment.
+
+        Refreshes the linked structures and each experiment so the
+        calculated intensities (``experiment.data.intensity_calc``)
+        reflect the current parameters and the selected calculation
+        engines. This is the non-fitting counterpart of :meth:`fit`: call
+        it after changing parameters or a calculator to update the
+        calculated pattern without running a minimization.
+        """
+        for structure in self.project.structures:
+            structure._update_categories()
+        for experiment in self.project.experiments:
+            experiment._update_categories()
+
     def undo_fit(self) -> UndoFitOutcome:
         """
         Roll back the latest fit output and scalar state.

From 52fbf01bb5bd144c671c5ea920a5015c14a27eee Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 14:24:48 +0200
Subject: [PATCH 13/41] Refactor FullProf verification loaders for project-dir
 API

Loaders take (project_dir, file) and hide bundled_reference_dir; add
load_fullprof_calc_profile for .prf Icalc minus real .bac background,
handling both .bac layouts (two-column and header+flat-array).

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 src/easydiffraction/analysis/verification.py | 223 ++++++++++++++++++-
 1 file changed, 220 insertions(+), 3 deletions(-)

diff --git a/src/easydiffraction/analysis/verification.py b/src/easydiffraction/analysis/verification.py
index b73c73222..5235121c7 100644
--- a/src/easydiffraction/analysis/verification.py
+++ b/src/easydiffraction/analysis/verification.py
@@ -32,6 +32,19 @@
 # columns: h, k, l, ivk, cod, F2obs, F2cal.
 _MIN_SC_F2CAL_COLUMNS = 7
 
+# A FullProf ``.prf`` profile data row (Prf=-3 format) has exactly these
+# columns: 2Theta, Yobs, Ycal, Yobs-Ycal, Backg. Reflection-marker rows
+# carry a trailing ``(h k l)`` and more columns, so they are skipped. The
+# calculated intensity is column 2 (Ycal).
+_PRF_PROFILE_COLUMNS = 5
+_PRF_YCALC_COLUMN = 2
+
+# A FullProf ``Prf=2`` IGOR profile row has columns TwoTheta, Iobs,
+# Icalc, Diff under a ``BEGIN``/``END`` block; the calculated intensity
+# is column 2 (Icalc).
+_IGOR_ICALC_COLUMN = 2
+_IGOR_MIN_COLUMNS = 3
+
 # FullProf writes a profile header (min, increment, max) in three fixed
 # columns of this width; adjacent values run together when one fills its
 # field, so the header is sliced by column when it cannot be split on
@@ -102,10 +115,13 @@ def _parse_fullprof_header(line: str) -> tuple[float, float, float]:
     return minimum, increment, maximum
 
 
-def load_fullprof_profile(path: str) -> tuple[np.ndarray, np.ndarray]:
+def load_fullprof_profile(project_dir: str, profile_file: str) -> tuple[np.ndarray, np.ndarray]:
     """
     Load a FullProf ``.sub``/``.sim`` profile as ``(x, y)`` arrays.
 
+    Resolved inside the bundled reference directory, so the caller passes
+    the project sub-folder and the file name.
+
     The first line holds ``min increment max`` followed by a comment;
     the x grid is reconstructed from that header and the remaining lines
     are flattened into the intensity array. The header is parsed by
@@ -130,6 +146,7 @@ def load_fullprof_profile(path: str) -> tuple[np.ndarray, np.ndarray]:
         from the grid implied by the intensities read from the body (a
         genuine inconsistency rather than header rounding).
     """
+    path = str(bundled_reference_dir() / project_dir / profile_file)
     with Path(path).open(encoding='utf-8') as handle:
         lines = handle.readlines()
     if not lines:
@@ -158,7 +175,8 @@ def load_fullprof_profile(path: str) -> tuple[np.ndarray, np.ndarray]:
 
 
 def load_columned_profile(
-    path: str,
+    project_dir: str,
+    profile_file: str,
     *,
     skip_rows: int = 1,
     columns: tuple[int, int] = (0, 1),
@@ -183,6 +201,7 @@ def load_columned_profile(
     tuple[np.ndarray, np.ndarray]
         The x and y arrays.
     """
+    path = str(bundled_reference_dir() / project_dir / profile_file)
     with Path(path).open(encoding='utf-8') as handle:
         lines = handle.readlines()[skip_rows:]
     cleaned = '\n'.join(line.replace('(', ' ').replace(')', ' ') for line in lines)
@@ -190,10 +209,207 @@ def load_columned_profile(
     return x, y
 
 
-def load_fullprof_sc_f2calc(path: str) -> dict[tuple[int, int, int], float]:
+def _parse_fullprof_calc_profile(path: str) -> tuple[np.ndarray, np.ndarray]:
+    """
+    Read ``(2θ, Icalc)`` from a FullProf calculated-profile export.
+
+    Handles both the ``Prf=2`` IGOR text format (``TwoTheta Iobs Icalc
+    Diff`` rows inside a ``BEGIN``/``END`` block) and the tab-separated
+    ``Prf=-3`` format (``2Theta Yobs Ycal …`` under a ``2Theta``-led
+    header, with interleaved reflection-marker rows skipped). Both place
+    the calculated intensity in column 2.
+
+    Parameters
+    ----------
+    path : str
+        Path to the FullProf ``.prf`` file.
+
+    Returns
+    -------
+    tuple[np.ndarray, np.ndarray]
+        The 2θ grid (corrected axis) and the calculated intensities.
+
+    Raises
+    ------
+    ValueError
+        If no profile data rows are found.
+    """
+    lines = Path(path).read_text(encoding='utf-8').splitlines()
+    two_theta: list[float] = []
+    icalc: list[float] = []
+    is_igor = any('IGOR' in line.upper() for line in lines[:3])
+    if is_igor:
+        started = False
+        for line in lines:
+            token = line.strip()
+            if token == 'BEGIN':
+                started = True
+                continue
+            if token == 'END':
+                break
+            fields = token.split()
+            if not started or len(fields) < _IGOR_MIN_COLUMNS:
+                continue
+            try:
+                values = (float(fields[0]), float(fields[_IGOR_ICALC_COLUMN]))
+            except ValueError:
+                continue
+            two_theta.append(values[0])
+            icalc.append(values[1])
+    else:
+        header_index = next(
+            (index for index, line in enumerate(lines) if line.lstrip().startswith('2Theta')),
+            None,
+        )
+        if header_index is None:
+            msg = f'FullProf profile {path}: no "2Theta" header or IGOR block found.'
+            raise ValueError(msg)
+        for line in lines[header_index + 1 :]:
+            if '(' in line:  # reflection-marker row
+                continue
+            fields = line.split()
+            if len(fields) != _PRF_PROFILE_COLUMNS:
+                continue
+            two_theta.append(float(fields[0]))
+            icalc.append(float(fields[_PRF_YCALC_COLUMN]))
+    if not two_theta:
+        msg = f'FullProf profile {path}: no calculated-profile data rows found.'
+        raise ValueError(msg)
+    return np.asarray(two_theta), np.asarray(icalc)
+
+
+def _parse_fullprof_background(path: str) -> tuple[np.ndarray, np.ndarray]:
+    """
+    Read ``(2θ, background)`` from a FullProf ``Ppl=2`` ``.bac`` file.
+
+    FullProf writes the ``.bac`` in one of two layouts, both handled here:
+
+    * **Two-column** — a ``!``-prefixed comment line followed by
+      ``2Theta background`` rows.
+    * **Header + array** — a ``min step max`` header line (``.sub``-style,
+      with a trailing ``Background of: …`` label) followed by the
+      background values as a flat array (several per row); the 2θ grid is
+      reconstructed from the header.
+
+    In both layouts the 2θ axis omits the zero shift, so the caller
+    realigns it onto the profile axis.
+
+    Parameters
+    ----------
+    path : str
+        Path to the FullProf ``.bac`` file.
+
+    Returns
+    -------
+    tuple[np.ndarray, np.ndarray]
+        The (uncorrected) 2θ grid and the real background intensities.
+
+    Raises
+    ------
+    ValueError
+        If no background data rows are found.
+    """
+    lines = [line for line in Path(path).read_text(encoding='utf-8').splitlines() if line.strip()]
+    if not lines:
+        msg = f'FullProf .bac {path}: file is empty.'
+        raise ValueError(msg)
+
+    if not lines[0].lstrip().startswith('!'):
+        # Header + flat-array layout: first line is ``min step max <label>``.
+        x_min, x_step, _x_max = _parse_fullprof_header(lines[0])
+        background: list[float] = []
+        for line in lines[1:]:
+            for token in line.split():
+                try:
+                    background.append(float(token))
+                except ValueError:
+                    break  # trailing non-numeric text ends the row
+        if not background:
+            msg = f'FullProf .bac {path}: no background values after the header.'
+            raise ValueError(msg)
+        y = np.asarray(background)
+        x = x_min + x_step * np.arange(y.size)
+        return x, y
+
+    # Two-column ``2Theta background`` layout under ``!`` comment lines.
+    two_theta: list[float] = []
+    column_background: list[float] = []
+    for line in lines:
+        token = line.strip()
+        if token.startswith('!'):
+            continue
+        fields = token.split()
+        if len(fields) < 2:
+            continue
+        try:
+            values = (float(fields[0]), float(fields[1]))
+        except ValueError:
+            continue
+        two_theta.append(values[0])
+        column_background.append(values[1])
+    if not two_theta:
+        msg = f'FullProf .bac {path}: no background data rows found.'
+        raise ValueError(msg)
+    return np.asarray(two_theta), np.asarray(column_background)
+
+
+def load_fullprof_calc_profile(
+    project_dir: str,
+    profile_file: str,
+    background_file: str,
+    zero_shift: float,
+) -> tuple[np.ndarray, np.ndarray]:
+    """
+    Load the Bragg-only profile from FullProf calculated + background.
+
+    The ``.prf`` (preferably the higher-precision ``Prf=2`` IGOR export)
+    holds the calculated profile ``Icalc`` on the *corrected* 2θ grid —
+    the Zero/SyCos/SySin systematic peak-position shift is applied, so the
+    peaks sit at their observed positions. The ``Ppl=2`` ``.bac`` holds
+    the *real* background (the refined polynomial, not the display-shifted
+    ``Backg`` column the ``.prf`` carries) on the uncorrected 2θ grid.
+    Subtracting the background from ``Icalc`` gives the clean Bragg
+    profile, with no pedestal estimate.
+
+    Both files are resolved inside the bundled reference directory, so the
+    caller passes only the project sub-folder and the two file names. The
+    ``.bac`` 2θ omits the zero shift, so it is realigned onto the profile
+    axis by adding ``zero_shift`` (the FullProf ``Zero``) and interpolated
+    onto the profile grid before subtraction (the background is smooth, so
+    interpolation is lossless and ``Icalc`` is left exact).
+
+    Parameters
+    ----------
+    project_dir : str
+        Reference sub-folder name (under the bundled reference directory)
+        holding the FullProf project files.
+    profile_file : str
+        File name of the FullProf calculated-profile ``.prf`` file.
+    background_file : str
+        File name of the FullProf ``.bac`` background file.
+    zero_shift : float
+        The FullProf ``Zero`` offset (degrees 2θ) that realigns the
+        ``.bac`` 2θ onto the profile axis.
+
+    Returns
+    -------
+    tuple[np.ndarray, np.ndarray]
+        The corrected 2θ grid and the clean Bragg intensities.
+    """
+    base = bundled_reference_dir() / project_dir
+    x, icalc = _parse_fullprof_calc_profile(str(base / profile_file))
+    background_x, background_y = _parse_fullprof_background(str(base / background_file))
+    background = np.interp(x, background_x + zero_shift, background_y)
+    return x, icalc - background
+
+
+def load_fullprof_sc_f2calc(project_dir: str, out_file: str) -> dict[tuple[int, int, int], float]:
     """
     Extract calculated F² per reflection from a FullProf SC output.
 
+    Resolved inside the bundled reference directory, so the caller passes
+    the project sub-folder and the file name.
+
     Reads the integrated-intensity reflection table — the one whose
     header carries the ``F2obs`` and ``F2cal`` columns — and returns a
     mapping from each ``(h, k, l)`` to its ``F2cal``. FullProf reports
@@ -211,6 +427,7 @@ def load_fullprof_sc_f2calc(path: str) -> dict[tuple[int, int, int], float]:
     dict[tuple[int, int, int], float]
         ``{(h, k, l): F2cal}`` for every tabulated reflection.
     """
+    path = str(bundled_reference_dir() / project_dir / out_file)
     f2calc: dict[tuple[int, int, int], float] = {}
     in_table = False
     with Path(path).open(encoding='utf-8') as handle:

From 55d70d088623749ba095e1d1cdf5934b4e02f09b Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 14:24:48 +0200
Subject: [PATCH 14/41] Add lazy pattern recalculation ADR suggestion

Proposes a dirty-flag + compute-once-per-change lazy recompute of the
calculated pattern so explicit calculate() becomes optional.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 .../suggestions/lazy-pattern-recalculation.md | 103 ++++++++++++++++++
 1 file changed, 103 insertions(+)
 create mode 100644 docs/dev/adrs/suggestions/lazy-pattern-recalculation.md

diff --git a/docs/dev/adrs/suggestions/lazy-pattern-recalculation.md b/docs/dev/adrs/suggestions/lazy-pattern-recalculation.md
new file mode 100644
index 000000000..fe61b0fd8
--- /dev/null
+++ b/docs/dev/adrs/suggestions/lazy-pattern-recalculation.md
@@ -0,0 +1,103 @@
+# ADR: Lazy Pattern Recalculation
+
+## Status
+
+Proposed.
+
+## Date
+
+2026-06-09
+
+## Group
+
+Core model.
+
+## Context
+
+The calculated pattern of an experiment is exposed through the data
+category as plain array properties — `intensity_calc`, `intensity_bkg`,
+and the related totals — each built on access from the stored per-point
+descriptors (for example `np.fromiter(p.intensity_calc.value for p in
+_calc_items)`). Those stored values are only refreshed when something
+calls `_update_categories()`: today that happens inside `fit()`, the new
+`project.analysis.calculate()`, `as_cif`, and `display.pattern()`.
+
+As a consequence, reading a computed array directly after changing a
+model parameter returns **stale** values until the next explicit trigger:
+
+```python
+experiment.cell.length_a = 4.20      # model changed
+y = experiment.data.intensity_calc   # still the OLD pattern
+```
+
+Normal user flows hide this because plotting and CIF export call
+`_update_categories()` first, so they always render fresh data. The
+stale read only surfaces when code bypasses those high-level operations
+and reads the raw array — which is exactly the cross-engine verification
+pattern, and the reason `project.analysis.calculate()` was introduced as
+an explicit trigger.
+
+A more convenient API would recompute automatically when the data is
+read after a change, removing the need to remember an explicit call.
+
+## Decision (proposed)
+
+Introduce a per-experiment **dirty flag** for the calculated pattern:
+
+- Any change to a parameter that affects the pattern — cell, atom sites,
+  instrument, peak profile, linked-phase scale, calculator type,
+  constraints, aliases — marks the owning experiment's pattern dirty.
+- The **first** access to any computed array in the data category
+  (`intensity_calc`, `intensity_bkg`, totals, …) while the experiment is
+  dirty triggers a single full pattern recalculation, caches all computed
+  arrays, and clears the dirty flag.
+- **Subsequent** accesses to any computed array return the cached result
+  with no recalculation, until the next parameter change re-marks the
+  pattern dirty.
+
+The compute-once-per-change rule is the core requirement: needing both
+the calculated points and the background points (two array reads from the
+same data category) must trigger **one** recalculation, not two — only
+the first read after a change recomputes.
+
+`project.analysis.calculate()` remains available as an explicit trigger
+(and the explicit name documented in tutorials), but becomes optional:
+reading a computed array is always fresh on its own.
+
+## Consequences
+
+- Reading a computed array always reflects the current model; no explicit
+  `calculate()` call is required.
+- Robust dirty propagation is mandatory and is the hard part: **every**
+  pattern-affecting setter across structure, experiment, instrument,
+  peak, linked phases, constraints, and aliases must flip the flag. A
+  missed setter yields silently stale results — the worst failure mode in
+  a refinement tool — while over-flagging recomputes too often.
+- A property getter can now trigger an expensive diffraction calculation;
+  the per-change caching above keeps repeated reads cheap, but the cache
+  must stay coherent with the calculators' own internal caching.
+- Structure changes are shared across experiments through linked phases,
+  so a structure edit must mark every linked experiment dirty.
+
+## Alternatives Considered
+
+- **Explicit `project.analysis.calculate()` (current).** Simple,
+  predictable, and consistent with `fit()`, but the user must remember to
+  call it before reading the raw array. Kept regardless of this ADR.
+- **Recompute on every array access (no caching).** Removes the dirty
+  flag but recomputes redundantly when several arrays are read in
+  sequence (calculated points then background) — too expensive.
+- **Lazy recompute with per-change caching (this proposal).**
+
+## Deferred Work / Open Questions
+
+- Where the dirty flag lives and how setters reach it: a hook on the
+  `Parameter`/descriptor base that notifies its owning experiment, versus
+  category-level invalidation.
+- Granularity: a single per-experiment pattern-dirty flag versus
+  finer-grained invalidation (for example structure-factor vs profile
+  terms).
+- Interaction with constraints and aliases, which mutate parameters
+  indirectly during `_update_categories()`.
+- Coordination with the existing calculator-level caches so the two
+  layers do not fight or double-cache.

From 7c7a4a829e6e4fb9e33f19182e88ad5eb5055235 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 14:25:09 +0200
Subject: [PATCH 15/41] Freeze FullProf .pcr files and regenerate bundled
 references

Zero all refinement codes (and remove VARY/BKG auto-refine keywords) so
fp2k recomputes at fixed values; regenerate .prf/.bac/.sub references.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 .../CFML_Restraints_1.tpcr                    |   100 +-
 .../pd-neut-cwl_pv-asym_empir_pbso4/pbso4.bac |   292 +
 .../pd-neut-cwl_pv-asym_empir_pbso4/pbso4.out |   669 +-
 .../pd-neut-cwl_pv-asym_empir_pbso4/pbso4.pcr |    66 +-
 .../pd-neut-cwl_pv-asym_empir_pbso4/pbso4.prf |  3957 ++++--
 .../pd-neut-cwl_pv-asym_empir_pbso4/pbso4.rpa |   552 +
 .../pd-neut-cwl_pv-asym_empir_pbso4/pbso4.sum |   194 +-
 .../pd-neut-cwl_pv-asym_empir_pbso4/pbso4.sym |    36 +-
 .../pbso41.fst                                |     9 +-
 .../pbso41.sub                                |   166 +-
 .../pbso4_1.cfl                               |    14 +-
 .../pbso4_1.dis                               |   252 +-
 .../pbso4_1_sum.bvs                           |    10 +-
 .../fullprof/pd-neut-cwl_pv_lbco/lbco.bac     |  3093 ++++
 .../fullprof/pd-neut-cwl_pv_lbco/lbco.out     |   250 +-
 .../fullprof/pd-neut-cwl_pv_lbco/lbco.pcr     |    42 +-
 .../fullprof/pd-neut-cwl_pv_lbco/lbco.prf     |  6264 +++++----
 .../fullprof/pd-neut-cwl_pv_lbco/lbco.rpa     |   336 +
 .../fullprof/pd-neut-cwl_pv_lbco/lbco.sum     |   179 +-
 .../fullprof/pd-neut-cwl_pv_lbco/lbco.sym     |   312 +-
 .../fullprof/pd-neut-cwl_pv_lbco/lbco1.sub    |  6184 ++++----
 .../CFML_Restraints_1.tpcr                    |   100 +-
 .../fullprof/pd-neut-cwl_pv_pbso4/pbso4.bac   |   292 +
 .../fullprof/pd-neut-cwl_pv_pbso4/pbso4.out   |   643 +-
 .../fullprof/pd-neut-cwl_pv_pbso4/pbso4.pcr   |    62 +-
 .../fullprof/pd-neut-cwl_pv_pbso4/pbso4.prf   |  3957 ++++--
 .../fullprof/pd-neut-cwl_pv_pbso4/pbso4.rpa   |   726 +
 .../fullprof/pd-neut-cwl_pv_pbso4/pbso4.sum   |   190 +-
 .../fullprof/pd-neut-cwl_pv_pbso4/pbso4.sym   |    16 +-
 .../fullprof/pd-neut-cwl_pv_pbso4/pbso41.fst  |     5 +-
 .../fullprof/pd-neut-cwl_pv_pbso4/pbso41.sub  |   106 +-
 .../fullprof/pd-neut-cwl_pv_pbso4/pbso4_1.cfl |    14 +-
 .../fullprof/pd-neut-cwl_pv_pbso4/pbso4_1.dis |   242 +-
 .../pd-neut-cwl_pv_pbso4/pbso4_1_sum.bvs      |    14 +-
 .../ECH0030684_LaB6_1p622A.bac                |  3195 +++++
 .../ECH0030684_LaB6_1p622A.cif                |    36 +-
 .../ECH0030684_LaB6_1p622A.out                |   333 +-
 .../ECH0030684_LaB6_1p622A.pcr                |    38 +-
 .../ECH0030684_LaB6_1p622A.prf                |  6466 ++++-----
 .../ECH0030684_LaB6_1p622A.sum                |   185 +-
 .../ECH0030684_LaB6_1p622A1.fst               |     2 +-
 .../ECH0030684_LaB6_1p622A1.sub               |  6388 ++++-----
 .../ECH0030684_LaB6_1p622A_noAbs.bac          |  3195 +++++
 .../ECH0030684_LaB6_1p622A_noAbs.cif          |   508 +
 .../ECH0030684_LaB6_1p622A_noAbs.dat          |  3200 +++++
 .../ECH0030684_LaB6_1p622A_noAbs.out          |   692 +
 .../ECH0030684_LaB6_1p622A_noAbs.pcr          |    59 +
 .../ECH0030684_LaB6_1p622A_noAbs.prf          |  3266 +++++
 .../ECH0030684_LaB6_1p622A_noAbs.sum          |   142 +
 .../ECH0030684_LaB6_1p622A_noAbs.vesta        |    24 +
 .../ECH0030684_LaB6_1p622A_noAbs1.fst         |     7 +
 .../ECH0030684_LaB6_1p622A_noAbs1.sub         |  3195 +++++
 .../ECH0030684_LaB6_1p622A_noAbs_noSLDL.bac   |  3195 +++++
 .../ECH0030684_LaB6_1p622A_noAbs_noSLDL.cif   |   508 +
 .../ECH0030684_LaB6_1p622A_noAbs_noSLDL.dat   |  3200 +++++
 .../ECH0030684_LaB6_1p622A_noAbs_noSLDL.out   |   692 +
 .../ECH0030684_LaB6_1p622A_noAbs_noSLDL.pcr   |    59 +
 .../ECH0030684_LaB6_1p622A_noAbs_noSLDL.prf   |  3266 +++++
 .../ECH0030684_LaB6_1p622A_noAbs_noSLDL.sum   |   142 +
 .../ECH0030684_LaB6_1p622A_noAbs_noSLDL.vesta |    24 +
 .../ECH0030684_LaB6_1p622A_noAbs_noSLDL1.fst  |     7 +
 .../ECH0030684_LaB6_1p622A_noAbs_noSLDL1.sub  |  3195 +++++
 ...H0030684_LaB6_1p622A_noAbs_noSLDL_prof.cif |  3277 +++++
 .../ECH0030684_LaB6_1p622A_noAbs_prof.cif     |  3277 +++++
 .../ECH0030684_LaB6_1p622A_prof.cif           |  6232 ++++-----
 .../pd-neut-tof_j_si/TOF_irf_LookUpTable.irf  |   128 +
 .../pd-neut-tof_j_si/TOF_irf_ShapePar.irf     |    19 +
 .../fullprof/pd-neut-tof_j_si/arg_si.fou      |    62 +-
 .../fullprof/pd-neut-tof_j_si/arg_si.hkl      |   360 +-
 .../fullprof/pd-neut-tof_j_si/arg_si.new      |    36 +-
 .../fullprof/pd-neut-tof_j_si/arg_si.out      |  2297 +--
 .../fullprof/pd-neut-tof_j_si/arg_si.pcr      |    30 +-
 .../fullprof/pd-neut-tof_j_si/arg_si.prf      | 11638 ++++++++--------
 .../fullprof/pd-neut-tof_j_si/arg_si.rpa      |   255 +
 .../fullprof/pd-neut-tof_j_si/arg_si.sum      |    92 +-
 .../fullprof/pd-neut-tof_j_si/arg_si.sym      |    46 +-
 .../fullprof/pd-neut-tof_j_si/arg_si1.fst     |     2 +-
 .../fullprof/pd-neut-tof_j_si/arg_si1.sub     |    88 +-
 .../TOF_irf_LookUpTable.irf                   |   252 +
 .../pd-neut-tof_jvd_ncaf/TOF_irf_ShapePar.irf |    19 +
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank.out    |  2953 ++--
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank.pcr    |    94 +-
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank.sum    |    99 +-
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank1_1.sub |  6308 ++++-----
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.bac  |  8132 +++++------
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.prf  | 10010 ++++++-------
 .../TOF_irf_LookUpTable.irf                   |   128 +
 .../pd-neut-tof_jvd_si/TOF_irf_ShapePar.irf   |    19 +
 .../fullprof/pd-neut-tof_jvd_si/arg_si.fou    |    44 +-
 .../fullprof/pd-neut-tof_jvd_si/arg_si.hkl    |   292 +-
 .../fullprof/pd-neut-tof_jvd_si/arg_si.out    |   631 +-
 .../fullprof/pd-neut-tof_jvd_si/arg_si.pcr    |    36 +-
 .../fullprof/pd-neut-tof_jvd_si/arg_si.prf    | 11638 ++++++++--------
 .../fullprof/pd-neut-tof_jvd_si/arg_si.rpa    |   255 +
 .../fullprof/pd-neut-tof_jvd_si/arg_si.sum    |    86 +-
 .../fullprof/pd-neut-tof_jvd_si/arg_si.sym    |    46 +-
 .../fullprof/pd-neut-tof_jvd_si/arg_si1.sub   |    24 +-
 .../fullprof/sg-neut-cwl_pr2nio4/prnio.fou    |   142 +-
 .../fullprof/sg-neut-cwl_pr2nio4/prnio.ins    |    14 +-
 .../fullprof/sg-neut-cwl_pr2nio4/prnio.out    |   657 +-
 .../fullprof/sg-neut-cwl_pr2nio4/prnio.pcr    |    46 +-
 .../fullprof/sg-neut-cwl_pr2nio4/prnio.prf    |   396 +-
 .../fullprof/sg-neut-cwl_pr2nio4/prnio.sum    |    52 +-
 .../fullprof/sg-neut-cwl_pr2nio4/prnio1.fst   |     2 +-
 .../fullprof/sg-neut-cwl_pr2nio4/prnio1.sub   |    12 +-
 .../sg-neut-cwl_pr2nio4/prnio_bad_refl.hkl    |    24 +-
 106 files changed, 95514 insertions(+), 49299 deletions(-)
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.bac
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.bac
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.bac
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.bac
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.bac
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.cif
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.dat
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.out
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.pcr
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.prf
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.sum
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.vesta
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs1.fst
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs1.sub
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.bac
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.cif
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.dat
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.out
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.pcr
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.prf
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.sum
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.vesta
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL1.fst
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL1.sub
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL_prof.cif
 create mode 100644 docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_prof.cif
 create mode 100644 docs/docs/verification/fullprof/pd-neut-tof_j_si/TOF_irf_LookUpTable.irf
 create mode 100644 docs/docs/verification/fullprof/pd-neut-tof_j_si/TOF_irf_ShapePar.irf
 create mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_LookUpTable.irf
 create mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_ShapePar.irf
 create mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_si/TOF_irf_LookUpTable.irf
 create mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_si/TOF_irf_ShapePar.irf

diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/CFML_Restraints_1.tpcr b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/CFML_Restraints_1.tpcr
index 707b059b2..dd70381d9 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/CFML_Restraints_1.tpcr
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/CFML_Restraints_1.tpcr
@@ -14,31 +14,31 @@
    List of possible restraints: 
 
  At1   At2  ITnum     T1        T2        T3          DIST   SIGMA
-  Pb    S       2   0.50000   0.00000  -0.50000      3.4179 0.0016
-  Pb    O1      4  -0.50000   0.50000   0.50000      2.6148 0.0017
-  Pb    O1      3   1.00000  -0.50000   1.00000      3.2669 0.0009
-  Pb    O2      1   0.00000   0.00000   0.00000      2.6188 0.0017
-  Pb    O2      2   0.50000   0.00000  -0.50000      3.0069 0.0008
-  Pb    O3      1   0.00000   0.00000  -1.00000      2.9118 0.0013
-  Pb    O3      3   0.00000   0.50000   1.00000      2.7305 0.0011
-  Pb    O3      2   0.50000   0.00000  -0.50000      2.6572 0.0011
-  S     O1      1  -1.00000   0.00000   0.00000      1.4688 0.0030
-  S     O1      4  -0.50000   0.50000   1.50000      3.2870 0.0030
-  S     O1      3   1.00000  -0.50000   1.00000      3.3325 0.0018
-  S     O2      1   0.00000   0.00000   0.00000      1.4607 0.0030
-  S     O3      1   0.00000   0.00000   0.00000      1.4897 0.0019
-  O1    O1      3   2.00000  -0.50000   1.00000      3.3872 0.0013
-  O1    O2      1   1.00000   0.00000   0.00000      2.4470 0.0022
-  O1    O2      4   0.50000   0.50000   1.50000      3.1035 0.0020
-  O1    O2      3   1.00000  -0.50000   1.00000      2.9931 0.0009
-  O1    O3      1   1.00000   0.00000   0.00000      2.4078 0.0016
-  O1    O3      4   0.50000   0.50000   1.50000      3.0955 0.0017
-  O1    O3      3   1.00000   0.50000   1.00000      3.1870 0.0015
-  O2    O3      1   0.00000   0.00000   0.00000      2.4011 0.0015
-  O2    O3      2   0.50000   0.00000  -0.50000      2.9252 0.0016
-  O3    O3     -1   0.00000   0.00000   2.00000      3.0112 0.0014
-  O3    O3     -3   0.00000  -0.50000   0.00000      2.9930 0.0011
-  O3    O3     -3   0.00000   0.50000   0.00000      2.4043 0.0011
+  Pb    S       2   0.50000   0.00000  -0.50000      3.4180 0.0000
+  Pb    O1      4  -0.50000   0.50000   0.50000      2.6148 0.0000
+  Pb    O1      3   1.00000  -0.50000   1.00000      3.2669 0.0000
+  Pb    O2      1   0.00000   0.00000   0.00000      2.6189 0.0000
+  Pb    O2      2   0.50000   0.00000  -0.50000      3.0068 0.0000
+  Pb    O3      1   0.00000   0.00000  -1.00000      2.9118 0.0000
+  Pb    O3      3   0.00000   0.50000   1.00000      2.7305 0.0000
+  Pb    O3      2   0.50000   0.00000  -0.50000      2.6572 0.0000
+  S     O1      1  -1.00000   0.00000   0.00000      1.4688 0.0000
+  S     O1      4  -0.50000   0.50000   1.50000      3.2870 0.0000
+  S     O1      3   1.00000  -0.50000   1.00000      3.3327 0.0000
+  S     O2      1   0.00000   0.00000   0.00000      1.4608 0.0000
+  S     O3      1   0.00000   0.00000   0.00000      1.4896 0.0000
+  O1    O1      3   2.00000  -0.50000   1.00000      3.3872 0.0000
+  O1    O2      1   1.00000   0.00000   0.00000      2.4470 0.0000
+  O1    O2      4   0.50000   0.50000   1.50000      3.1035 0.0000
+  O1    O2      3   1.00000  -0.50000   1.00000      2.9931 0.0000
+  O1    O3      1   1.00000   0.00000   0.00000      2.4078 0.0000
+  O1    O3      4   0.50000   0.50000   1.50000      3.0955 0.0000
+  O1    O3      3   1.00000   0.50000   1.00000      3.1870 0.0000
+  O2    O3      1   0.00000   0.00000   0.00000      2.4011 0.0000
+  O2    O3      2   0.50000   0.00000  -0.50000      2.9252 0.0000
+  O3    O3     -1   0.00000   0.00000   2.00000      3.0112 0.0000
+  O3    O3     -3   0.00000  -0.50000   0.00000      2.9930 0.0000
+  O3    O3     -3   0.00000   0.50000   0.00000      2.4043 0.0000
 
    ========================================= 
    List of possible restraints in CFL format 
@@ -46,30 +46,30 @@
 
 
 => Total number of independent distance restraints:    25
-DFIX   3.41789  0.00163  Pb  S_4.554
-DFIX   2.61477  0.00172  Pb  O1_2.455
-DFIX   3.26690  0.00094  Pb  O1_3.646
-DFIX   2.61881  0.00170  Pb  O2
-DFIX   3.00686  0.00075  Pb  O2_4.554
-DFIX   2.91182  0.00128  Pb  O3_1.554
-DFIX   2.73053  0.00110  Pb  O3_3.556
-DFIX   2.65721  0.00112  Pb  O3_4.554
-DFIX   1.46875  0.00302  S  O1_1.455
-DFIX   3.28705  0.00303  S  O1_2.456
-DFIX   3.33255  0.00181  S  O1_3.646
-DFIX   1.46067  0.00303  S  O2
-DFIX   1.48968  0.00186  S  O3
-DFIX   3.38716  0.00128  O1  O1_3.746
-DFIX   2.44701  0.00221  O1  O2_1.655
-DFIX   3.10351  0.00203  O1  O2_2.556
-DFIX   2.99309  0.00089  O1  O2_3.646
-DFIX   2.40782  0.00157  O1  O3_1.655
-DFIX   3.09547  0.00173  O1  O3_2.556
-DFIX   3.18700  0.00150  O1  O3_3.656
-DFIX   2.40110  0.00154  O2  O3
-DFIX   2.92519  0.00156  O2  O3_4.554
-DFIX   3.01123  0.00136  O3  O3_5.557
-DFIX   2.99299  0.00114  O3  O3_7.545
-DFIX   2.40426  0.00114  O3  O3_7
+DFIX   3.41795  0.00000  Pb  S_4.554
+DFIX   2.61477  0.00000  Pb  O1_2.455
+DFIX   3.26691  0.00000  Pb  O1_3.646
+DFIX   2.61888  0.00000  Pb  O2
+DFIX   3.00684  0.00000  Pb  O2_4.554
+DFIX   2.91182  0.00000  Pb  O3_1.554
+DFIX   2.73054  0.00000  Pb  O3_3.556
+DFIX   2.65721  0.00000  Pb  O3_4.554
+DFIX   1.46876  0.00000  S  O1_1.455
+DFIX   3.28703  0.00000  S  O1_2.456
+DFIX   3.33268  0.00000  S  O1_3.646
+DFIX   1.46083  0.00000  S  O2
+DFIX   1.48957  0.00000  S  O3
+DFIX   3.38717  0.00000  O1  O1_3.746
+DFIX   2.44701  0.00000  O1  O2_1.655
+DFIX   3.10346  0.00000  O1  O2_2.556
+DFIX   2.99311  0.00000  O1  O2_3.646
+DFIX   2.40782  0.00000  O1  O3_1.655
+DFIX   3.09547  0.00000  O1  O3_2.556
+DFIX   3.18701  0.00000  O1  O3_3.656
+DFIX   2.40105  0.00000  O2  O3
+DFIX   2.92523  0.00000  O2  O3_4.554
+DFIX   3.01123  0.00000  O3  O3_5.557
+DFIX   2.99300  0.00000  O3  O3_7.545
+DFIX   2.40426  0.00000  O3  O3_7.555
 
 => Total number of possible angle restraints:     0
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.bac b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.bac
new file mode 100644
index 000000000..285838e6c
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.bac
@@ -0,0 +1,292 @@
+       10.084240        0.050000      155.534241  Background of: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+     210     210     210     210     210     210     210     210     210     210
+     210     210     210     210     210     210     210     210     210     210
+     210     210     210     209     209     209     209     209     209     209
+     208     208     208     208     208     208     207     207     207     207
+     207     207     206     206     206     206     206     206     205     205
+     205     205     205     205     204     204     204     204     204     204
+     203     203     203     203     203     203     202     202     202     202
+     202     202     201     201     201     201     201     201     200     200
+     200     200     200     200     199     199     199     199     199     199
+     198     198     198     198     198     198     197     197     197     197
+     197     197     197     197     197     197     197     197     197     197
+     197     197     197     197     197     197     197     197     197     197
+     197     197     197     197     197     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     195
+     195     195     195     195     195     195     195     195     195     195
+     195     195     195     195     195     195     195     195     195     195
+     195     195     195     195     195     195     195     195     195     195
+     195     195     195     195     195     195     195     195     195     195
+     194     194     194     194     194     194     194     194     194     194
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+     196     196     196     196     196     196     196     196     196     196
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+     196     196     197     197     197     197     197     197     197     197
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+     198     198     198     198     198     198     198     198     198     198
+     198     198     198     198     198     198     198     198     199     199
+     199     199     199     199     199     199     199     199     199     199
+     199     199     199     199     199     199     199     199     199     199
+     199     200     200     200     200     200     200     200     200     200
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+     203     203     203     203     203     203     203     203     203     203
+     203     203     203     203     203     203     203     203     203     203
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+     203     203     203     203     203     203     203     203     203     203
+     203     203     203     203     203     203     203     203     203     203
+     203     203     203     202     202     202     202     202     202     202
+     202     202     202     202     202     202     202     202     202     202
+     202     202     202     202     202     202     202     202     202     202
+     202     202     202     202     202     202     202     202     202     202
+     203     203     203     203     203     203     203     203     203     203
+     203     203     203     203     203     203     203     203     203     203
+     203     203     203     204     204     204     204     204     204     204
+     204     204     204     204     204     204     204     204     204     204
+     204     204     204     204     204     204     205     205     205     205
+     205     205     205     205     205     205     205     205     205     205
+     205     205     205     205     205     205     205     205     205     206
+     206     206     206     206     206     206     206     206     206     206
+     206     206     206     206     206     206     206     206     206     206
+     206     206     207     207     207     207     207     207     207     207
+     207     207     207     207     207     207     207     207     207     207
+     207     207     207     207     207     207     208     208     208     208
+     208     208     208     208     208     208     208     208     208     208
+     208     208     208     208     208     208     208     208     208     209
+     209     209     209     209     209     209     209     209     209     209
+     209     209     209     209     209     209     209     209     209     209
+     209     209     210     210     210     210     210     210     210     210
+     210     210     210     210     210     210     210     210     210     210
+     210     210     210     210     210     211     211     211     211     211
+     211     211     211     211     211     211     211     211     211     211
+     211     211     211     211     211     211     211     211     212     212
+     212     212     212     212     212     212     212     212     212     212
+     212     212     212     212     212     212     212     212     212     212
+     212     213     213     213     213     213     213     213     213     213
+     213     213     213     213     213     213     213     213     213     213
+     213     213     213     213     214     214     214     214     214     214
+     214     214     214     214     214     214     214     214     214     214
+     214     214     214     214     214     214     214     215     215     215
+     215     215     215     215     215     215     215     215     215     215
+     215     215     215     215     215     215     215     215     215     215
+     216     216     216     216     216     216     216     216     216     216
+     216     216     216     216     216     216     216     216     216     216
+     216     216     216     217     217     217     217     217     217     217
+     217     217     217     217     217     217     217     217     217     217
+     217     217     217     217     217     217     218     218     218     218
+     218     218     218     218     218     218     218     218     218     218
+     218     218     218     218     218     218     218     218     218     219
+     219     219     219     219     219     219     219     219     219     219
+     219     219     219     219     219     219     219     219     219     219
+     219     219     220     220     220     220     220     220     220     220
+     220     220     220     220     220     220     220     220     220     220
+     220     220     220     220     220     221     221     221     221     221
+     221     221     221     221     221     221     221     221     221     221
+     221     221     221     221     221     221     221     221     222     222
+     222     222     222     222     222     222     222     222     222     222
+     222     222     222     222     222     222     222     222     222     222
+     222     223     223     223     223     223     223     223     223     223
+     223     223     223     223     223     223     223     223     223     223
+     223     223     223     223     223     224     224     224     224     224
+     224     224     224     224     224     224     224     224     224     224
+     224     224     224     224     224     224     224     224     225     225
+     225     225     225     225     225     225     225     225     225     225
+     225     225     225     225     225     225     225     225     225     225
+     225     226     226     226     226     226     226     226     226     226
+     226     226     226     226     226     226     226     226     226     226
+     226     226     226     226     227     227     227     227     227     227
+     227     227     227     227     227     227     227     227     227     227
+     227     227     227     227     227     227     227     228     228     228
+     228     228     228     228     228     228     228     228     228     228
+     228     228     228     228     228     228     228     228     228     228
+     229     229     229     229     229     229     229     229     229     229
+     229     229     229     229     229     229     229     229     229     229
+     229     229     229     230     230     230     230     230     230     230
+     230     230     230     230     230     230     230     230     230     230
+     230     230     230     230     230     230     231     231     231     231
+     231     231     231     231     231     231     231     231     231     231
+     231     231     231     231     231     231     231     231     231     232
+     232     232     232     232     232     232     232     232     232     232
+     232     232     232     232     232     232     232     232     232     232
+     232     232     233     233     233     233     233     233     233     233
+     233     233     233     233     233     233     233     233     233     233
+     233     233     233     233     233     234     234     234     234     234
+     234     234     234     234     234     234     234     234     234     234
+     234     234     234     234     234     234     234     234     235     235
+     235     235     235     235     235     235     235     235     235     235
+     235     235     235     235     235     235     235     235     235     235
+     235     236     236     236     236     236     236     236     236     236
+     236     236     236     236     236     236     236     236     236     236
+     236     236     236     236     237     237     237     237     237     237
+     237     237     237     237     237     237     237     237     237     237
+     237     237     237     237     237     237     237     238     238     238
+     238     238     238     238     238     238     238     238     238     238
+     238     238     238     238     238     238     238     238     238     238
+     239     239     239     239     239     239     239     239     239     239
+     239     239     239     239     239     239     239     239     239     239
+     239     239     239     239     240     240     240     240     240     240
+     240     240     240     240     240     240     240     240     240     240
+     240     240     240     240     240     240     240     241     241     241
+     241     241     241     241     241     241     241     241     241     241
+     241     241     241     241     241     241     241     241     241     241
+     242     242     242     242     242     242     242     242     242     242
+     242     242     242     242     242     242     242     242     242     242
+     242     242     242     243     243     243     243     243     243     243
+     243     243     243     243     243     243     243     243     243     243
+     243     243     243     243     243     243     244     244     244     244
+     244     244     244     244     244     244     244     244     244     244
+     244     244     244     244     244     244     244     244     244     245
+     245     245     245     245     245     245     245     245     245     245
+     245     245     245     245     245     245     245     245     245     245
+     245     245     245     245     245     245     245     245     245     245
+     245     245     245     245     245     245     245     245     245     245
+     245     245     245     245     245     245     245     245     245     245
+     245     244     244     244     244     244     244     244     244     244
+     244     244     244     244     244     244     244     244     244     244
+     244     244     244     244     244     244     244     244     244     244
+     244     244     244     243     243     243     243     243     243     243
+     243     243     243     243     243     243     243     243     243     243
+     243     243     243     243     243     243     243     243     243     243
+     243     243     243     243     243     242     242     242     242     242
+     242     242     242     242     242     242     242     242     242     242
+     242     242     242     242     242     242     242     242     242     242
+     242     242     242     242     242     242     242     241     241     241
+     241     241     241     241     241     241     241     241     241     241
+     241     241     241     241     241     241     241     241     241     241
+     241     241     241     241     241     241     241     241     241     240
+     240     240     240     240     240     240     240     240     240     240
+     240     240     240     240     240     240     240     240     240     240
+     240     240     240     240     240     240     240     240     240     240
+     240     239     239     239     239     239     239     239     239     239
+     239     239     239     239     239     239     239     239     239     239
+     239     239     239     239     239     239     239     239     239     239
+     239     239     239     238     238     238     238     238     238     238
+     238     238     238     238     238     238     238     238     238     238
+     238     238     238     238     238     238     238     238     238     238
+     238     238     238     238     238     237     237     237     237     237
+     237     237     237     237     237     237     237     237     237     237
+     237     237     237     237     237     237     237     237     237     237
+     237     237     237     237     237     237     237     236     236     236
+     236     236     236     236     236     236     236     236     236     236
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+     235     235     235     235     235     235     235     235     235     235
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+     235     234     234     234     234     234     234     234     234     234
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+     234     234     234     234     234     234     234     234     234     234
+     234     234     234     233     233     233     233     233     233     233
+     233     233     233     233     233     233     233     233     233     233
+     233     233     233     233     233     233     233     233     233     233
+     233     233     233     233     233     232     232     232     232     232
+     232     232     232     232     232     232     232     232     232     232
+     232     232     232     232     232     232     232     232     232     232
+     232     232     232     232     232     232     232     231     231     231
+     231     231     231     231     231     231     231     231     231     231
+     231     231     231     231     231     231     231     231     231     231
+     231     231     231     231     231     231     231     231     231     230
+     230     230     230     230     230     230     230     230     230     230
+     230     230     230     230     230     230     230     230     230     230
+     230     230     230     230     230     230     230     230     230     230
+     230     229     229     229     229     229     229     229     229     229
+     229     229     229     229     229     229     229     229     229     229
+     229     229     229     229     229     229     229     229     229     229
+     229     229     229     228     228     228     228     228     228     228
+     228     228     228     228     228     228     228     228     228     228
+     228     228     228     228     228     228     228     228     228     228
+     228     228     228     228     228     227     227     227     227     227
+     227     227     227     227     227     227     227     227     227     227
+     227     227     227     227     227     227     227     227     227     227
+     227     227     227     227     227     227     227     226     226     226
+     226     226     226     226     226     226     226     226     226     226
+     226     226     226     226     226     226     226     226     226     226
+     226     226     226     226     226     226     226     226     226     225
+     225     225     225     225     225     225     225     225     225     225
+     225     225     225     225     225     225     225     225     225     225
+     225     225     225     225     225     225     225     225     225     225
+     225     225     225     225     225     225     225     225     225     225
+     225     225     225     225     225     225     225     225     225     225
+     225     225     225     225     225     225     225     225     225     225
+     225     225     225     225     225     225     225     225     225     225
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.out b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.out
index a1edc751a..a42a63393 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.out
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.out
@@ -1,17 +1,17 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 06/06/2026  Time: 20:44:32.647                              
+    Date: 09/06/2026  Time: 12:48:58.036                              
 
  => PCR file code: pbso4
- => DAT file code: pbso4.dat            -> Relative contribution: 1.0000                                                            
+ => DAT file code: pbso4                -> Relative contribution: 1.0000                                                            
 
  ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
 
@@ -38,6 +38,7 @@
  ==> INPUT/OUTPUT OPTIONS:
 
  => Output Obs and Calc intensities on last cycle
+ => Generate bacground file *.bac
  => Generate file *.PRF for plot
  => Output Integrated Intensities
  => Generate new input file *.PCR
@@ -54,19 +55,19 @@
  => Number of cycles:  500
  => Relaxation factors ==>    for coordinates:  0.20
  => for anisotropic temperature factors:  0.20
- => for halfwidth/strain/size parameters:  0.20
+ => for halfwidth/strain/size/further parameters:  0.20
  => for lattice constants and propagation vectors:  0.20
  => EPS-value for convergence:    0.1
  => Background ==> 
     Position   Intensity
-       11.00      209.99      261.00
-       15.00      196.76      271.00
-       20.00      195.72      281.00
-       30.00      190.75      291.00
-       50.00      208.27      301.00
-       70.00      202.09      311.00
-      120.00      245.48      321.00
-      153.00      224.83      331.00
+       11.00      209.99        0.00
+       15.00      196.76        0.00
+       20.00      195.72        0.00
+       30.00      190.75        0.00
+       50.00      208.25        0.00
+       70.00      202.08        0.00
+      120.00      245.44        0.00
+      153.00      224.84        0.00
 
  
 
@@ -75,13 +76,13 @@
       0.0000     10.0000
     155.4500    180.0000
 
- => Number of Least-Squares parameters varied:    37
+ => Number of Least-Squares parameters varied:     0
 
  =>--------------------------->
  =>------->  PATTERN number:  1
  =>--------------------------->
  => Global parameters and codes ==>
- => Zero-point:    -0.0843   81.0000
+ => Zero-point:    -0.0842    0.0000
  => Perpendicular Displacement parameter and code:     0.00    0.00
  => Parallel      Displacement parameter and code:     0.00    0.00
 
@@ -98,7 +99,7 @@
      2Thmin:      10.000000  2Thmax:     155.449997  Step:       0.050000  No. of points:   2910
  --------------------------------------------------------------------------------
  => Phase  No. 1
-       PbSO4                       VARY xyz b          BKG blue             
+      PbSO4                                                                 
  --------------------------------------------------------------------------------
  =>-------> Pattern#  1
  => Crystal Structure Refinement
@@ -171,21 +172,21 @@
  => Initial parameters ==>
  Atom    Ntyp                  X         Y         Z         B         occ.         in  fin  Spc  Mult
                              B11       B22       B33       B12       B13       B23
- Pb     PB                 0.18752   0.25000   0.16705   1.39083   0.50000           0    0    1    4
-                 Codes:  171.00000   0.00000 181.00000  41.00000   0.00000
- S      S                  0.06549   0.25000   0.68374   0.39372   0.50000           0    0    2    4
-                 Codes:  191.00000   0.00000 201.00000  51.00000   0.00000
- O1     O                  0.90816   0.25000   0.59544   1.99362   0.50000           0    0    3    4
-                 Codes:  211.00000   0.00000 221.00000  61.00000   0.00000
- O2     O                  0.19355   0.25000   0.54330   1.47816   0.50000           0    0    3    4
-                 Codes:  231.00000   0.00000 241.00000  71.00000   0.00000
- O3     O                  0.08109   0.02727   0.80869   1.30171   1.00000           0    0    3    8
-                 Codes:  251.00000 161.00000  31.00000  21.00000   0.00000
-
- => IT IS ASSUMED THAT THE FIRST GIVEN SITE IS FULLY OCCUPIED 
-    OR THE FIRST AND SECOND ATOMS ARE IN THE SAME SITE WITH TOTAL FULL OCCUPATION
+ Pb     PB                 0.18752   0.25000   0.16705   1.39017   0.50000           0    0    1    4
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ S      S                  0.06549   0.25000   0.68373   0.39270   0.50000           0    0    2    4
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ O1     O                  0.90816   0.25000   0.59544   1.99307   0.50000           0    0    3    4
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ O2     O                  0.19355   0.25000   0.54331   1.47771   0.50000           0    0    3    4
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ O3     O                  0.08109   0.02727   0.80869   1.30007   1.00000           0    0    3    8
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+
+ => It is assumed that THE FIRST GIVEN SITE plus all the other atoms 
+    occupying THE SAME POSITION have a total full occupation (no vacancies!)
   (if this is not the case, change the order of atoms to obtain correct values for the content of the unit cell)
-    The given occupation factors have been obtained mutiplying m/M by   1.0000
+    The given occupation factors have been obtained mutiplying m/M by   0.5000
       -> Atom: PB  ,  Chemical element: PB  Atomic Mass:   207.2000
       -> Atom: S   ,  Chemical element: S   Atomic Mass:    32.0600
       -> Atom: O   ,  Chemical element: O   Atomic Mass:    15.9994
@@ -201,14 +202,14 @@
 
  =>-------> PROFILE PARAMETERS FOR PATTERN:  1
 
- => Overall scale factor:    1.46394    
+ => Overall scale factor:    1.46381    
  => ETA (p-Voigt) OR M (Pearson VII):   0.0000
  => Overall temperature factor:      0.00000
- => Halfwidth U,V,W:      0.15346    -0.45319     0.41944
+ => Halfwidth U,V,W:      0.15340    -0.45310     0.41941
  => X and Y parameters:       0.0000      0.0868
  => Direct cell parameters:    8.4795   5.3973   6.9590  90.0000  90.0000  90.0000
  => Preferred orientation parameters:   0.0000  0.0000
- => Asymmetry parameters     :      0.29460     0.02255    -0.10957     0.04956
+ => Asymmetry parameters     :      0.29465     0.02261    -0.10961     0.04941
  => Strain parameters        :      0.00000     0.00000     0.00000
  => Size   parameters        :      0.00000     0.00000
  => Further shape parameters (S_L and D_L):   0.00000   0.00000
@@ -217,14 +218,14 @@
 
  ==> CODEWORDS FOR PROFILE PARAMETERS of PATTERN#  1
 
- => Overall scale factor:   11.000
+ => Overall scale factor:    0.000
  => ETA (p-Voigt) OR M (Pearson VII):    0.000
  => Overall temperature factor:    0.000
- => Halfwidth U,V,W:  121.000 131.000 141.000
- => X and Y parameters:    0.000 151.000
- => Direct cell parameters:   91.000 101.000 111.000   0.000   0.000   0.000
+ => Halfwidth U,V,W:    0.000   0.000   0.000
+ => X and Y parameters:    0.000   0.000
+ => Direct cell parameters:    0.000   0.000   0.000   0.000   0.000   0.000
  => Preferred orientation parameters:    0.000   0.000
- => Asymmetry parameters     :  341.000 361.000 351.000 371.000
+ => Asymmetry parameters     :    0.000   0.000   0.000   0.000
  => Strain parameters        :    0.000   0.000   0.000
  => Size   parameters        :    0.000   0.000
 
@@ -237,33 +238,33 @@
 
          a =       8.4795      b =       5.3973      c =       6.9590
      alpha =       90.000   beta =       90.000  gamma =       90.000
-                        Direct Cell Volume =     318.4841
+                        Direct Cell Volume =     318.4848
 
  => Reciprocal cell parameters:
 
-         a*=     0.117931      b*=     0.185280      c*=     0.143699
+         a*=     0.117931      b*=     0.185279      c*=     0.143699
      alpha*=       90.000   beta*=       90.000  gamma*=       90.000
                     Reciprocal Cell Volume =   0.00313987
 
  => Direct and Reciprocal Metric Tensors:
 
                    GD                                       GR
-     71.9019      0.0000      0.0000          0.013908    0.000000    0.000000
-      0.0000     29.1303      0.0000          0.000000    0.034328    0.000000
-      0.0000      0.0000     48.4272          0.000000    0.000000    0.020650
+     71.9020      0.0000      0.0000          0.013908    0.000000    0.000000
+      0.0000     29.1304      0.0000          0.000000    0.034328    0.000000
+      0.0000      0.0000     48.4273          0.000000    0.000000    0.020650
 
  =>  Cartesian frame: x // a; z is along c*; y is within the ab-plane   
 
      Crystal_to_Orthonormal_Matrix              Orthonormal_to_Crystal Matrix
               Cr_Orth_cel                               Orth_Cr_cel  
       8.4795      0.0000      0.0000          0.117931   -0.000000   -0.000000
-      0.0000      5.3973      0.0000          0.000000    0.185280   -0.000000
+      0.0000      5.3973      0.0000          0.000000    0.185279   -0.000000
       0.0000      0.0000      6.9590          0.000000    0.000000    0.143699
 
      Busing-Levy B-matrix: Hc=B.H            Inverse of the Busing-Levy B-matrix
                 BL_M                                      BL_Minv  
     0.117931    0.000000    0.000000            8.4795     -0.0000     -0.0000
-    0.000000    0.185280   -0.000000            0.0000      5.3973      0.0000
+    0.000000    0.185279   -0.000000            0.0000      5.3973      0.0000
     0.000000    0.000000    0.143699            0.0000      0.0000      6.9590
 
  => Laue symmetry mmm   will be used to generate HKL for pattern#   1
@@ -278,48 +279,6 @@
  PB     0.9405
  S      0.2847
  O      0.5803
-
-     --------------------------------------------------------------
-      SYMBOLIC NAMES AND INITIAL VALUES OF PARAMETERS TO BE VARIED:
-     --------------------------------------------------------------
-
-      ->  Parameter number    1   -> Symbolic Name:                                     Scale_ph1_pat1     1.4639370    
-      ->  Parameter number    2   -> Symbolic Name:                                        Biso_O3_ph1     1.3017100    
-      ->  Parameter number    3   -> Symbolic Name:                                           Z_O3_ph1    0.80869001    
-      ->  Parameter number    4   -> Symbolic Name:                                        Biso_Pb_ph1     1.3908300    
-      ->  Parameter number    5   -> Symbolic Name:                                         Biso_S_ph1    0.39372000    
-      ->  Parameter number    6   -> Symbolic Name:                                        Biso_O1_ph1     1.9936200    
-      ->  Parameter number    7   -> Symbolic Name:                                        Biso_O2_ph1     1.4781600    
-      ->  Parameter number    8   -> Symbolic Name:                                          Zero_pat1   -0.84250003E-01
-      ->  Parameter number    9   -> Symbolic Name:                                    Cell_A_ph1_pat1     8.4795017    
-      ->  Parameter number   10   -> Symbolic Name:                                    Cell_B_ph1_pat1     5.3972511    
-      ->  Parameter number   11   -> Symbolic Name:                                    Cell_C_ph1_pat1     6.9589672    
-      ->  Parameter number   12   -> Symbolic Name:                                    U-Cagl_ph1_pat1    0.15346400    
-      ->  Parameter number   13   -> Symbolic Name:                                    V-Cagl_ph1_pat1   -0.45318899    
-      ->  Parameter number   14   -> Symbolic Name:                                    W-Cagl_ph1_pat1    0.41944301    
-      ->  Parameter number   15   -> Symbolic Name:                                     Y-cos_ph1_pat1    0.86819001E-01
-      ->  Parameter number   16   -> Symbolic Name:                                           Y_O3_ph1    0.27270000E-01
-      ->  Parameter number   17   -> Symbolic Name:                                           X_Pb_ph1    0.18752000    
-      ->  Parameter number   18   -> Symbolic Name:                                           Z_Pb_ph1    0.16705000    
-      ->  Parameter number   19   -> Symbolic Name:                                            X_S_ph1    0.65490000E-01
-      ->  Parameter number   20   -> Symbolic Name:                                            Z_S_ph1    0.68374002    
-      ->  Parameter number   21   -> Symbolic Name:                                           X_O1_ph1    0.90815997    
-      ->  Parameter number   22   -> Symbolic Name:                                           Z_O1_ph1    0.59543997    
-      ->  Parameter number   23   -> Symbolic Name:                                           X_O2_ph1    0.19355001    
-      ->  Parameter number   24   -> Symbolic Name:                                           Z_O2_ph1    0.54329997    
-      ->  Parameter number   25   -> Symbolic Name:                                           X_O3_ph1    0.81090003E-01
-      ->  Parameter number   26   -> Symbolic Name:                                         Bck_0_pat1     209.99110    
-      ->  Parameter number   27   -> Symbolic Name:                                         Bck_1_pat1     196.75720    
-      ->  Parameter number   28   -> Symbolic Name:                                         Bck_2_pat1     195.71980    
-      ->  Parameter number   29   -> Symbolic Name:                                         Bck_3_pat1     190.75000    
-      ->  Parameter number   30   -> Symbolic Name:                                         Bck_4_pat1     208.26939    
-      ->  Parameter number   31   -> Symbolic Name:                                         Bck_5_pat1     202.09090    
-      ->  Parameter number   32   -> Symbolic Name:                                         Bck_6_pat1     245.48370    
-      ->  Parameter number   33   -> Symbolic Name:                                         Bck_7_pat1     224.82620    
-      ->  Parameter number   34   -> Symbolic Name:                                     Asym1_ph1_pat1    0.29460001    
-      ->  Parameter number   35   -> Symbolic Name:                                     Asym3_ph1_pat1   -0.10957000    
-      ->  Parameter number   36   -> Symbolic Name:                                     Asym2_ph1_pat1    0.22550000E-01
-      ->  Parameter number   37   -> Symbolic Name:                                     Asym4_ph1_pat1    0.49559999E-01
   
  
  => Optimizations for routine tasks applied:
@@ -327,42 +286,42 @@
  
 
 
-   Standard deviations have to be multiplied by: 2.6727
+   Standard deviations have to be multiplied by: 2.6735
    (correlated residuals) See references:
   -J.F.Berar & P.Lelann, J. Appl. Cryst. 24, 1-5 (1991) 
   -J.F.Berar, Acc. in Pow. Diff. II,NIST Sp.Pub. 846, 63(1992) 
 
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
  => CYCLE No.:    1
  =>  Convergence reached at this CYCLE !!!!
  =>  Parameter shifts set to zero
- ---------------------------------------------------------------------------------------
- => Phase  1 Name:  PbSO4                       VARY xyz b          BKG blue             
- ---------------------------------------------------------------------------------------
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: PbSO4
+ ------------------------------------------------------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
 
- Pb       0.18752 0.00000 0.00009  0.25000 0.00000 0.00000  0.16705 0.00000 0.00014  1.39075 0.00000 0.02278  0.50000 0.00000 0.00000
- S        0.06549 0.00000 0.00028  0.25000 0.00000 0.00000  0.68374 0.00000 0.00037  0.39363 0.00000 0.04102  0.50000 0.00000 0.00000
- O1       0.90816 0.00000 0.00019  0.25000 0.00000 0.00000  0.59544 0.00000 0.00019  1.99353 0.00000 0.03251  0.50000 0.00000 0.00000
- O2       0.19355 0.00000 0.00018  0.25000 0.00000 0.00000  0.54330 0.00000 0.00023  1.47811 0.00000 0.03082  0.50000 0.00000 0.00000
- O3       0.08109 0.00000 0.00011  0.02727 0.00000 0.00015  0.80869 0.00000 0.00014  1.30162 0.00000 0.02257  1.00000 0.00000 0.00000
+ Pb       0.18752 0.00000 0.00000  0.25000 0.00000 0.00000  0.16705 0.00000 0.00000  1.39017 0.00000 0.00000  0.50000 0.00000 0.00000
+ S        0.06549 0.00000 0.00000  0.25000 0.00000 0.00000  0.68373 0.00000 0.00000  0.39270 0.00000 0.00000  0.50000 0.00000 0.00000
+ O1       0.90816 0.00000 0.00000  0.25000 0.00000 0.00000  0.59544 0.00000 0.00000  1.99307 0.00000 0.00000  0.50000 0.00000 0.00000
+ O2       0.19355 0.00000 0.00000  0.25000 0.00000 0.00000  0.54331 0.00000 0.00000  1.47771 0.00000 0.00000  0.50000 0.00000 0.00000
+ O3       0.08109 0.00000 0.00000  0.02727 0.00000 0.00000  0.80869 0.00000 0.00000  1.30007 0.00000 0.00000  1.00000 0.00000 0.00000
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
- => Overall scale factor:      1.463901639     0.000000000     0.004973848
+ => Overall scale factor:      1.463814974     0.000000000     0.000000000
  => Eta(p-Voigt) or m(Pearson VII):   0.000000  0.000000  0.000000
  => Overall tem. factor:     0.000000    0.000000    0.000000
  => Halfwidth parameters: 
-         0.153447    0.000000    0.002991
-        -0.453163    0.000000    0.006675
-         0.419434    0.000000    0.004135
+         0.153402    0.000000    0.000000
+        -0.453103    0.000000    0.000000
+         0.419409    0.000000    0.000000
  => Cell parameters: 
-        8.479504    0.000000    0.000137
-        5.397253    0.000000    0.000091
-        6.958969    0.000000    0.000118
+        8.479506    0.000000    0.000000
+        5.397256    0.000000    0.000000
+        6.958973    0.000000    0.000000
        90.000000    0.000000    0.000000
        90.000000    0.000000    0.000000
        90.000000    0.000000    0.000000
@@ -370,13 +329,13 @@
          0.000000    0.000000    0.000000
          0.000000    0.000000    0.000000
  => Asymmetry parameters: 
-         0.294626    0.000000    0.019805
-         0.022572    0.000000    0.003514
-        -0.109598    0.000000    0.045390
-         0.049517    0.000000    0.008325
+         0.294650    0.000000    0.000000
+         0.022610    0.000000    0.000000
+        -0.109610    0.000000    0.000000
+         0.049410    0.000000    0.000000
  => X and Y parameters: 
          0.000000    0.000000    0.000000
-         0.086819    0.000000    0.002044
+         0.086818    0.000000    0.000000
  => Strain parameters: 
          0.000000    0.000000    0.000000
          0.000000    0.000000    0.000000
@@ -391,329 +350,283 @@
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:    -0.0842    0.0000    0.0030
- => Background Parameters (linear interpolation)  ==>
-         209.991        0.00000        3.53043    
-         196.757        0.00000        2.54953    
-         195.720        0.00000        1.63419    
-         190.750        0.00000        1.12228    
-         208.271        0.00000        1.09809    
-         202.090        0.00000       0.588755    
-         245.483        0.00000        1.12146    
-         224.835        0.00000        1.70682    
+ => Zero-point:    -0.0842    0.0000    0.0000
 
  => Cos(2theta)-shift parameter :   0.0000  0.0000  0.0000
  => Sin(2theta)-shift parameter :   0.0000  0.0000  0.0000
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
- => R-Factors:   3.06      3.67     Chi2:  3.58     DW-Stat.:  0.3933   Patt#:  1
- => Expected :            1.94                                1.9105
- => Deviance : 0.178E+04     Dev*:  0.6185    
+ => R-Factors:   3.06      3.67     Chi2:  3.54     DW-Stat.:  0.3934   Patt#:  1
+ => Expected :            1.95                                1.8848
+ => Deviance : 0.178E+04     Dev*:  0.6106    
  => GoF-index:  1.9         Sqrt(Residual/N)
- => N-P+C:  2872
+ => N-P+C:  2909
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.3347E+05    0.1093E+07    0.1092E+07    0.7642E+07    0.1029E+05    0.1832E+16
+     0.3346E+05    0.1093E+07    0.1092E+07    0.7642E+07    0.1028E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   7.23      6.84      3.61      3.581    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   7.23      6.84      3.64      3.535    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.4631E+06    0.2199E+07
 
- => N-sigma of the GoF:       97.822
+ => N-sigma of the GoF:       96.693
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => R-Factors:   3.06      3.67     Chi2:  3.58     DW-Stat.:  0.3933   Patt#:
- => Expected :            1.94                                1.9105
- => Deviance : 0.178E+04     Dev*:  0.6185    
+ => R-Factors:   3.06      3.67     Chi2:  3.54     DW-Stat.:  0.3934   Patt#:
+ => Expected :            1.95                                1.8848
+ => Deviance : 0.178E+04     Dev*:  0.6106    
  => GoF-index:  1.9         Sqrt(Residual/N)
- => N-P+C:  2872
+ => N-P+C:  2909
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.3347E+05    0.1093E+07    0.1092E+07    0.7642E+07    0.1029E+05    0.1832E+16
+     0.3346E+05    0.1093E+07    0.1092E+07    0.7642E+07    0.1028E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   7.23      6.84      3.61      3.581    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   7.23      6.84      3.64      3.535    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.4631E+06    0.2199E+07
 
- => N-sigma of the GoF:       97.822
+ => N-sigma of the GoF:       96.693
 
- => Global user-weigthed Chi2 (Bragg contrib.):   3.58    
+ => Global user-weigthed Chi2 (Bragg contrib.):   3.54    
 
- --------------------------------------------------------------------------------------------------------------
- Pattern#  1 Phase No.:   1 Phase name:  PbSO4                       V
- --------------------------------------------------------------------------------------------------------------
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
+ Pattern#  1 Phase No.:   1 Phase name: PbSO4
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
 
    No.  Code     H   K   L  Mult     Hw         2theta      Icalc       Iobs      Sigma      HwG     HwL       ETA       d-hkl        CORR
 
-      1   1      1   0   1     4  0.632764      20.474       35.5       39.3      5.163  0.585325  0.088223  0.181484  5.379348     64.349098
-      2   1      0   1   1     4  0.616550      25.907       11.9       13.7      1.582  0.568616  0.089086  0.187752  4.264866     40.843182
-      3   1      2   0   0     2  0.616084      26.063        2.0        2.3      0.346  0.568133  0.089114  0.187943  4.239751     20.188129
-      4   1      1   1   1     8  0.607105      29.063       35.6       39.7      1.946  0.558825  0.089688  0.191749  3.810087     65.634850
-      5   1      2   0   1     4  0.602437      30.620       79.3       78.6      1.856  0.553969  0.090013  0.193823  3.620697     29.743425
-      6   1      0   0   2     2  0.598606      31.895      207.8      214.4      2.307  0.549977  0.090294  0.195577  3.479484     13.777103
-      7   1      2   1   0     4  0.594300      33.325      452.5      456.6      2.920  0.545481  0.090624  0.197603  3.334078     25.391939
-      8   1      1   0   2     4  0.590596      34.553      103.1      103.3      1.629  0.541607  0.090921  0.199394  3.219014     23.747084
-      9   1      2   1   1     8  0.582960      37.078      680.9      669.6      3.127  0.533597  0.091571  0.203231  3.006797     41.734406
-     10   1      1   1   2     8  0.572669      40.461      675.0      644.5      2.803  0.522754  0.092527  0.208723  2.764642     35.651325
-     11   1      0   2   0     2  0.569508      41.496      299.2      272.7      1.604  0.519412  0.092840  0.210487  2.698626      8.520962
-     12   1      2   0   2     4  0.569065      41.640      106.1       96.2      0.684  0.518944  0.092884  0.210737  2.689674     16.937160
-     13   1      3   0   1     4  0.565441      42.823        4.0        1.9      0.354  0.515105  0.093255  0.212811  2.618735     16.119638
-     14   1      1   2   1     8  0.553496      46.698      426.2      408.9      1.949  0.502401  0.094563  0.220008  2.412117     27.736231
-     15   1      2   1   2     8  0.553190      46.797      127.9      121.6      0.594  0.502075  0.094598  0.220199  2.407313     27.636156
-     16   1      3   1   1     8  0.549837      47.878      142.0      141.1      1.413  0.498493  0.094990  0.222327  2.356051     26.581402
-     17   1      2   2   0     4  0.544288      49.660      397.6      389.7      1.880  0.492552  0.095662  0.225952  2.276580     12.497005
-     18   1      1   0   3     4  0.541384      50.589      266.6      270.8      1.498  0.489436  0.096026  0.227902  2.237446     12.116915
-     19   1      3   0   2     4  0.538005      51.667      566.7      595.2      1.986  0.485804  0.096459  0.230217  2.193866     11.702041
-     20   1      2   2   1     8  0.535574      52.441      949.4      965.6      2.469  0.483186  0.096777  0.231914  2.163738     22.840872
-     21   1      0   2   2     4  0.532961      53.271      155.4      161.2      0.720  0.480368  0.097126  0.233769  2.132433     11.132373
-     22   1      0   1   3     4  0.532853      53.305      139.2      143.9      0.643  0.480251  0.097141  0.233846  2.131163     11.120782
-     23   1      4   0   0     2  0.531886      53.612       77.3       76.6      0.555  0.479208  0.097272  0.234541  2.119876      5.509062
-     24   1      1   2   2     8  0.527283      55.068      599.2      609.8      1.335  0.474230  0.097908  0.237910  2.068041     21.108997
-     25   1      1   1   3     8  0.527177      55.101      687.2      697.7      1.513  0.474115  0.097923  0.237988  2.066883     21.088562
-     26   1      2   0   3     4  0.524197      56.040      109.5      111.0      0.294  0.470887  0.098347  0.240224  2.034988     10.265598
-     27   1      3   1   2     8  0.523949      56.118      426.3      431.3      1.045  0.470617  0.098383  0.240413  2.032382     20.486074
-     28   1      4   0   1     4  0.523517      56.254      565.6      567.5      1.451  0.470148  0.098445  0.240741  2.027873     10.204098
-     29   1      4   1   0     4  0.518080      57.960      396.7      428.2      1.920  0.464238  0.099246  0.244953  1.973136      9.739263
-     30   1      2   2   2     8  0.510770      60.242       38.5       44.9      0.597  0.456260  0.100372  0.250857  1.905044     18.363428
-     31   1      2   1   3     8  0.510669      60.273       16.6       19.2      0.243  0.456148  0.100388  0.250941  1.904138     18.348909
-     32   1      4   1   1     8  0.510011      60.478       30.1       33.9      0.537  0.455429  0.100493  0.251487  1.898305     18.255602
-     33   1      3   2   1     8  0.507836      61.153        1.6        2.1      0.203  0.453047  0.100841  0.253307  1.879334     17.954557
-     34   1      4   0   2     4  0.499438      63.751       18.9       16.8      0.576  0.443814  0.102237  0.260588  1.810349      8.445589
-     35   1      3   0   3     4  0.497210      64.437      243.0      249.2      1.627  0.441357  0.102620  0.262588  1.793116      8.316681
-     36   1      0   3   1     4  0.490242      66.577       53.6       52.9      0.763  0.433641  0.103860  0.269041  1.741817      7.942453
-     37   1      0   0   4     2  0.489949      66.666       19.8       19.5      0.261  0.433316  0.103914  0.269319  1.739742      3.963812
-     38   1      1   2   3     8  0.487468      67.426      156.5      153.3      1.017  0.430559  0.104371  0.271694  1.722430     15.609618
-     39   1      4   1   2     8  0.486584      67.696       71.8       72.0      0.563  0.429575  0.104536  0.272550  1.716370     15.524449
-     40   1      1   3   1     8  0.485082      68.155        0.0        0.0      0.000  0.427902  0.104818  0.274017  1.706192     15.382325
-     41   1      1   0   4     4  0.484791      68.243        0.2        0.2      0.002  0.427578  0.104873  0.274303  1.704242      7.677613
-     42   1      3   2   2     8  0.484502      68.332        0.0        0.0      0.000  0.427256  0.104928  0.274587  1.702309     15.328424
-     43   1      3   1   3     8  0.484405      68.361       78.6       72.7      1.020  0.427148  0.104946  0.274682  1.701663     15.319468
-     44   1      4   2   0     4  0.479078      69.985        4.9        5.6      0.475  0.421193  0.105977  0.280032  1.667039      7.423392
-     45   1      2   3   0     4  0.477342      70.514       10.2       11.1      0.678  0.419247  0.106321  0.281819  1.656147      7.350511
-     46   1      5   0   1     4  0.475971      70.931        0.2        0.3      0.038  0.417709  0.106596  0.283244  1.647679      7.294337
-     47   1      1   1   4     8  0.472234      72.066        1.0        1.2      0.060  0.413505  0.107359  0.287201  1.625149     14.294061
-     48   1      2   2   3     8  0.472176      72.084        4.9        5.7      0.275  0.413439  0.107372  0.287264  1.624801     14.289564
-     49   1      4   2   1     8  0.471561      72.271       10.1       11.1      0.369  0.412746  0.107499  0.287925  1.621172     14.242716
-     50   1      2   3   1     8  0.469844      72.792       62.6       61.0      1.001  0.410808  0.107859  0.289787  1.611149     14.114189
-     51   1      2   0   4     4  0.469560      72.879        0.0        0.0      0.000  0.410487  0.107919  0.290097  1.609507      7.046625
-     52   1      5   1   1     8  0.463577      74.695        0.2        0.1      0.002  0.403707  0.109210  0.296781  1.575881     13.672205
-     53   1      1   3   2     8  0.462580      74.997      464.3      455.2      1.718  0.402574  0.109431  0.297923  1.570452     13.605636
-     54   1      4   0   3     4  0.461541      75.312      227.3      234.5      1.065  0.401392  0.109663  0.299122  1.564849      6.768670
-     55   1      2   1   4     8  0.457282      76.606       10.0       10.3      0.482  0.396529  0.110633  0.304136  1.542387     13.267897
-     56   1      5   0   2     4  0.453769      77.674       60.6       58.3      1.004  0.392502  0.111459  0.308393  1.524465      6.529022
-     57   1      4   2   2     8  0.449506      78.972       37.0       33.9      0.522  0.387592  0.112492  0.313716  1.503398     12.817410
-     58   1      4   1   3     8  0.449415      79.000       13.1       12.0      0.174  0.387486  0.112515  0.313832  1.502953     12.812395
-     59   1      2   3   2     8  0.447848      79.479        0.0        0.0      0.000  0.385674  0.112904  0.315834  1.495395     12.727757
-     60   1      3   2   3     8  0.447449      79.601      386.9      373.3      1.614  0.385212  0.113004  0.316348  1.493485     12.706514
+      1   1      1   0   1     4  0.632746      20.474       35.5       39.3      5.163  0.585308  0.088222  0.181487  5.379352     64.349167
+      2   1      0   1   1     4  0.616534      25.907       11.9       13.7      1.582  0.568600  0.089085  0.187754  4.264870     40.843250
+      3   1      2   0   0     2  0.616068      26.063        2.0        2.3      0.346  0.568118  0.089113  0.187946  4.239753     20.188141
+      4   1      1   1   1     8  0.607090      29.063       35.6       39.7      1.946  0.558811  0.089687  0.191751  3.810090     65.634926
+      5   1      2   0   1     4  0.602423      30.620       79.3       78.7      1.856  0.553956  0.090012  0.193826  3.620699     29.743452
+      6   1      0   0   2     2  0.598592      31.895      207.8      214.4      2.307  0.549964  0.090293  0.195579  3.479486     13.777123
+      7   1      2   1   0     4  0.594287      33.325      452.5      456.6      2.920  0.545468  0.090623  0.197605  3.334080     25.391966
+      8   1      1   0   2     4  0.590584      34.553      103.1      103.3      1.630  0.541595  0.090920  0.199396  3.219016     23.747116
+      9   1      2   1   1     8  0.582948      37.078      680.8      669.6      3.127  0.533585  0.091570  0.203233  3.006799     41.734463
+     10   1      1   1   2     8  0.572659      40.461      675.1      644.6      2.803  0.522744  0.092526  0.208724  2.764644     35.651379
+     11   1      0   2   0     2  0.569497      41.495      299.1      272.7      1.604  0.519402  0.092839  0.210489  2.698628      8.520975
+     12   1      2   0   2     4  0.569055      41.640      106.1       96.2      0.684  0.518934  0.092883  0.210738  2.689676     16.937180
+     13   1      3   0   1     4  0.565431      42.823        4.0        1.9      0.354  0.515096  0.093254  0.212812  2.618736     16.119654
+     14   1      1   2   1     8  0.553487      46.698      426.3      409.0      1.949  0.502393  0.094562  0.220009  2.412118     27.736277
+     15   1      2   1   2     8  0.553182      46.797      127.9      121.6      0.594  0.502066  0.094597  0.220200  2.407314     27.636190
+     16   1      3   1   1     8  0.549828      47.878      141.9      141.2      1.413  0.498485  0.094989  0.222328  2.356052     26.581423
+     17   1      2   2   0     4  0.544280      49.660      397.6      389.8      1.880  0.492544  0.095661  0.225953  2.276582     12.497025
+     18   1      1   0   3     4  0.541376      50.589      266.6      270.8      1.498  0.489429  0.096025  0.227902  2.237448     12.116930
+     19   1      3   0   2     4  0.537998      51.667      566.8      595.2      1.986  0.485797  0.096458  0.230217  2.193867     11.702050
+     20   1      2   2   1     8  0.535567      52.441      949.4      965.7      2.469  0.483179  0.096776  0.231915  2.163739     22.840906
+     21   1      0   2   2     4  0.532954      53.271      155.4      161.2      0.720  0.480361  0.097125  0.233770  2.132435     11.132389
+     22   1      0   1   3     4  0.532846      53.305      139.2      144.0      0.643  0.480245  0.097140  0.233847  2.131165     11.120796
+     23   1      4   0   0     2  0.531879      53.612       77.3       76.6      0.555  0.479201  0.097271  0.234541  2.119876      5.509066
+     24   1      1   2   2     8  0.527276      55.068      599.3      609.9      1.335  0.474224  0.097907  0.237910  2.068043     21.109022
+     25   1      1   1   3     8  0.527170      55.101      687.1      697.7      1.512  0.474109  0.097922  0.237989  2.066884     21.088591
+     26   1      2   0   3     4  0.524191      56.040      109.5      110.9      0.294  0.470881  0.098346  0.240224  2.034990     10.265613
+     27   1      3   1   2     8  0.523942      56.118      426.3      431.4      1.045  0.470611  0.098382  0.240413  2.032382     20.486097
+     28   1      4   0   1     4  0.523510      56.254      565.7      567.5      1.451  0.470142  0.098444  0.240741  2.027874     10.204105
+     29   1      4   1   0     4  0.518074      57.960      396.7      428.2      1.920  0.464232  0.099245  0.244953  1.973137      9.739271
+     30   1      2   2   2     8  0.510764      60.242       38.6       44.9      0.598  0.456254  0.100371  0.250857  1.905045     18.363447
+     31   1      2   1   3     8  0.510663      60.273       16.6       19.2      0.243  0.456143  0.100387  0.250941  1.904139     18.348932
+     32   1      4   1   1     8  0.510005      60.478       30.1       33.9      0.537  0.455423  0.100492  0.251487  1.898306     18.255615
+     33   1      3   2   1     8  0.507831      61.153        1.6        2.1      0.203  0.453042  0.100840  0.253307  1.879336     17.954582
+     34   1      4   0   2     4  0.499432      63.751       18.9       16.8      0.576  0.443809  0.102235  0.260588  1.810350      8.445597
+     35   1      3   0   3     4  0.497205      64.437      243.0      249.2      1.627  0.441352  0.102619  0.262588  1.793117      8.316689
+     36   1      0   3   1     4  0.490236      66.577       53.6       52.9      0.762  0.433637  0.103859  0.269040  1.741818      7.942466
+     37   1      0   0   4     2  0.489943      66.666       19.8       19.5      0.262  0.433311  0.103913  0.269318  1.739743      3.963816
+     38   1      1   2   3     8  0.487462      67.425      156.5      153.3      1.017  0.430554  0.104370  0.271694  1.722431     15.609642
+     39   1      4   1   2     8  0.486579      67.696       71.8       72.0      0.563  0.429571  0.104535  0.272550  1.716371     15.524460
+     40   1      1   3   1     8  0.485076      68.155        0.0        0.0      0.000  0.427897  0.104817  0.274017  1.706193     15.382347
+     41   1      1   0   4     4  0.484786      68.243        0.2        0.2      0.002  0.427573  0.104872  0.274303  1.704243      7.677624
+     42   1      3   2   2     8  0.484497      68.332        0.0        0.0      0.000  0.427251  0.104927  0.274587  1.702310     15.328439
+     43   1      3   1   3     8  0.484400      68.361       78.6       72.7      1.020  0.427143  0.104945  0.274682  1.701664     15.319479
+     44   1      4   2   0     4  0.479072      69.985        4.9        5.6      0.475  0.421189  0.105976  0.280032  1.667040      7.423399
+     45   1      2   3   0     4  0.477336      70.514       10.2       11.1      0.678  0.419243  0.106320  0.281819  1.656149      7.350522
+     46   1      5   0   1     4  0.475966      70.931        0.2        0.3      0.038  0.417704  0.106595  0.283244  1.647679      7.294343
+     47   1      1   1   4     8  0.472229      72.066        1.0        1.2      0.060  0.413500  0.107358  0.287201  1.625150     14.294081
+     48   1      2   2   3     8  0.472170      72.084        4.9        5.7      0.275  0.413434  0.107370  0.287264  1.624802     14.289579
+     49   1      4   2   1     8  0.471555      72.271       10.1       11.1      0.369  0.412741  0.107498  0.287925  1.621173     14.242729
+     50   1      2   3   1     8  0.469838      72.792       62.5       61.0      1.001  0.410803  0.107857  0.289787  1.611151     14.114206
+     51   1      2   0   4     4  0.469554      72.879        0.0        0.0      0.000  0.410482  0.107917  0.290097  1.609508      7.046632
+     52   1      5   1   1     8  0.463571      74.695        0.2        0.1      0.002  0.403702  0.109209  0.296782  1.575881     13.672215
+     53   1      1   3   2     8  0.462574      74.997      464.4      455.3      1.718  0.402568  0.109430  0.297924  1.570453     13.605649
+     54   1      4   0   3     4  0.461535      75.312      227.3      234.6      1.066  0.401386  0.109661  0.299122  1.564850      6.768677
+     55   1      2   1   4     8  0.457275      76.606       10.0       10.3      0.481  0.396524  0.110632  0.304136  1.542388     13.267910
+     56   1      5   0   2     4  0.453762      77.674       60.7       58.3      1.004  0.392496  0.111457  0.308394  1.524466      6.529027
+     57   1      4   2   2     8  0.449499      78.972       37.0       33.9      0.522  0.387585  0.112491  0.313717  1.503399     12.817421
+     58   1      4   1   3     8  0.449407      79.000       13.1       12.0      0.174  0.387479  0.112514  0.313833  1.502954     12.812407
+     59   1      2   3   2     8  0.447841      79.479        0.0        0.0      0.000  0.385668  0.112903  0.315836  1.495396     12.727771
+     60   1      3   2   3     8  0.447442      79.600      386.9      373.4      1.614  0.385206  0.113003  0.316350  1.493486     12.706526
 
    No.  Code     H   K   L  Mult     Hw         2theta      Icalc       Iobs      Sigma      HwG     HwL       ETA       d-hkl        CORR
 
-     61   1      3   3   1     8  0.445208      80.286        8.7        8.3      0.132  0.382613  0.113573  0.319266  1.482863     12.589391
-     62   1      3   0   4     4  0.444935      80.370       34.9       33.3      0.574  0.382296  0.113642  0.319625  1.481582      6.287695
-     63   1      5   1   2     8  0.441804      81.331       64.6       66.2      0.770  0.378650  0.114457  0.323800  1.467067     12.418596
-     64   1      0   2   4     4  0.440742      81.657       55.5       56.1      0.719  0.377410  0.114739  0.325240  1.462222      6.183516
-     65   1      1   2   4     8  0.435988      83.127      265.0      255.9      1.542  0.371832  0.116034  0.331851  1.440954     12.145477
-     66   1      3   1   4     8  0.433185      83.999        4.9        5.1      0.168  0.368523  0.116826  0.335878  1.428729     12.021769
-     67   1      0   3   3     4  0.431532      84.516      121.0      110.9      1.035  0.366564  0.117303  0.338300  1.421622      5.975559
-     68   1      6   0   0     2  0.429564      85.134       45.5       46.1      0.594  0.364224  0.117883  0.341233  1.413250      2.967284
-     69   1      5   2   1     8  0.427907      85.657       98.2       98.5      0.687  0.362247  0.118381  0.343744  1.406278     11.801893
-     70   1      1   3   3     8  0.426896      85.978      166.5      159.5      0.974  0.361037  0.118689  0.345296  1.402054     11.761642
-     71   1      3   3   2     8  0.424257      86.819      187.8      181.5      1.209  0.357868  0.119509  0.349418  1.391138     11.659289
-     72   1      6   0   1     4  0.422752      87.302        0.5        0.5      0.013  0.356052  0.119989  0.351818  1.384979      5.801321
-     73   1      2   2   4     8  0.422100      87.512        2.3        2.3      0.065  0.355263  0.120200  0.352870  1.382321     11.578453
-     74   1      1   0   5     4  0.419899      88.226      160.2      159.1      0.604  0.352592  0.120923  0.356471  1.373416      5.749268
-     75   1      4   3   0     4  0.419469      88.366      406.5      408.6      1.208  0.352069  0.121066  0.357183  1.371690      5.741623
-     76   1      5   0   3     4  0.418809      88.582       38.4       39.1      0.128  0.351264  0.121289  0.358285  1.369039      5.729954
-     77   1      6   1   0     4  0.418340      88.735      218.4      224.3      0.966  0.350691  0.121448  0.359073  1.367159      5.721723
-     78   1      4   2   3     8  0.414961      89.853       39.2       37.5      0.327  0.346544  0.122624  0.364870  1.353720     11.328241
-     79   1      0   4   0     2  0.413845      90.227      484.8      464.8      1.434  0.345165  0.123025  0.366835  1.349313      2.822852
-     80   1      2   3   3     8  0.413478      90.351        0.4        0.4      0.001  0.344711  0.123158  0.367485  1.347868     11.279447
-     81   1      0   1   5     4  0.413437      90.365      136.2      131.3      0.430  0.344660  0.123173  0.367559  1.347705      5.639048
-     82   1      4   3   1     8  0.412951      90.529        0.3        0.3      0.001  0.344058  0.123351  0.368426  1.345795     11.262362
-     83   1      4   0   4     4  0.412708      90.611        5.9        5.8      0.027  0.343755  0.123441  0.368863  1.344837      5.627254
-     84   1      6   1   1     8  0.411862      90.898      256.6      271.1      1.288  0.342703  0.123754  0.370391  1.341515     11.227447
-     85   1      1   1   5     8  0.409176      91.822        0.1        0.1      0.003  0.339341  0.124780  0.375352  1.330999     11.143698
-     86   1      5   2   2     8  0.408234      92.150        3.2        4.1      0.045  0.338155  0.125151  0.377133  1.327321     11.115111
-     87   1      5   1   3     8  0.408155      92.177       59.3       76.7      0.818  0.338056  0.125182  0.377283  1.327014     11.112745
-     88   1      2   0   5     4  0.406964      92.597       20.0       25.9      0.495  0.336548  0.125660  0.379572  1.322365      5.538596
-     89   1      6   0   2     4  0.403634      93.794       52.2       50.8      0.680  0.332294  0.127056  0.386182  1.309367      5.490555
-     90   1      1   4   1     8  0.403481      93.849        7.9        7.7      0.096  0.332096  0.127122  0.386494  1.308769     10.976808
-     91   1      4   1   4     8  0.402503      94.210       38.3       37.0      0.440  0.330832  0.127552  0.388507  1.304938     10.949528
-     92   1      3   2   4     8  0.400921      94.801      486.0      486.9      1.824  0.328775  0.128266  0.391830  1.298726     10.906278
-     93   1      2   4   0     4  0.397652      96.065        2.8        2.7      0.024  0.324462  0.129831  0.399001  1.285769      5.410067
-     94   1      2   1   5     8  0.397305      96.203      201.9      203.6      1.340  0.323998  0.130005  0.399790  1.284377     10.811226
-     95   1      4   3   2     8  0.395258      97.034        0.0        0.0      0.000  0.321239  0.131068  0.404558  1.276109     10.759714
-     96   1      6   1   2     8  0.394367      97.407        0.0        0.0      0.000  0.320022  0.131552  0.406705  1.272458     10.737776
-     97   1      3   3   3     8  0.393778      97.656      252.6      260.0      1.497  0.319214  0.131880  0.408148  1.270029     10.723460
-     98   1      2   4   1     8  0.392423      98.245        6.3        7.9      0.216  0.317334  0.132660  0.411554  1.264368     10.690982
-     99   1      0   4   2     4  0.390937      98.914       38.3       43.4      0.702  0.315241  0.133564  0.415437  1.258032      5.328081
-    100   1      6   2   0     4  0.389551      99.565      136.6      135.4      1.068  0.313251  0.134460  0.419226  1.251962      5.312194
-    101   1      3   0   5     4  0.388807      99.928       17.5       17.0      0.280  0.312166  0.134966  0.421336  1.248626      5.303804
-    102   1      1   4   2     8  0.387887     100.391       49.5       46.3      0.751  0.310805  0.135619  0.424030  1.244411     10.587122
-    103   1      1   3   4     8  0.386383     101.190       65.6       69.6      0.900  0.308527  0.136767  0.428672  1.237252     10.554229
-    104   1      6   2   1     8  0.385369     101.766        9.7       10.4      0.311  0.306944  0.137610  0.432007  1.232180     10.532442
-    105   1      1   2   5     8  0.383841     102.711       59.9       61.2      0.441  0.304462  0.139025  0.437449  1.224017     10.500147
-    106   1      5   2   3     8  0.383299     103.076      839.0      849.8      2.332  0.303544  0.139581  0.439537  1.220915     10.488815
-    107   1      3   1   5     8  0.382568     103.601       79.6       81.9      0.610  0.302266  0.140393  0.442529  1.216497     10.473609
-    108   1      5   3   1     8  0.382346     103.770        5.8        5.7      0.063  0.301867  0.140656  0.443484  1.215091     10.469008
-    109   1      5   0   4     4  0.382237     103.855       17.6       16.7      0.245  0.301668  0.140789  0.443964  1.214386      5.233370
-    110   1      6   0   3     4  0.381170     104.767       12.6       12.5      0.241  0.299624  0.142239  0.449080  1.206899      5.222271
-    111   1      2   4   2     8  0.381061     104.870       33.0       33.3      0.548  0.299402  0.142406  0.449656  1.206058     10.442267
-    112   1      4   2   4     8  0.380764     105.168       18.3       18.6      0.473  0.298780  0.142889  0.451303  1.203656     10.436015
-    113   1      2   3   4     8  0.380304     105.684        2.4        3.2      0.178  0.297750  0.143737  0.454131  1.199537     10.426173
-    114   1      3   4   1     8  0.380295     105.695        1.1        1.5      0.083  0.297730  0.143754  0.454187  1.199455     10.425989
-    115   1      7   0   1     4  0.379744     106.464        2.2        2.5      0.169  0.296314  0.145042  0.458331  1.193412      5.206840
-    116   1      2   2   5     8  0.379361     107.235      148.3      154.6      1.227  0.295047  0.146364  0.462391  1.187464     10.404130
-    117   1      5   1   4     8  0.379245     107.590       54.9       59.6      0.641  0.294519  0.146983  0.464221  1.184767     10.400679
-    118   1      4   3   3     8  0.379146     108.131       22.0       19.8      0.376  0.293783  0.147937  0.466959  1.180705     10.396562
-    119   1      6   2   2     8  0.379132     108.491      117.8      118.5      1.226  0.293341  0.148583  0.468750  1.178026     10.394583
-    120   1      6   1   3     8  0.379133     108.520        1.0        1.0      0.011  0.293307  0.148635  0.468893  1.177811     10.394449
+     61   1      3   3   1     8  0.445200      80.286        8.7        8.3      0.132  0.382606  0.113571  0.319268  1.482864     12.589404
+     62   1      3   0   4     4  0.444927      80.370       34.9       33.3      0.574  0.382289  0.113641  0.319626  1.481583      6.287700
+     63   1      5   1   2     8  0.441795      81.331       64.7       66.2      0.770  0.378642  0.114456  0.323802  1.467068     12.418602
+     64   1      0   2   4     4  0.440734      81.657       55.6       56.2      0.719  0.377402  0.114737  0.325242  1.462223      6.183522
+     65   1      1   2   4     8  0.435979      83.127      265.0      256.0      1.542  0.371824  0.116032  0.331854  1.440956     12.145490
+     66   1      3   1   4     8  0.433175      83.999        4.9        5.1      0.168  0.368514  0.116824  0.335881  1.428730     12.021778
+     67   1      0   3   3     4  0.431522      84.516      121.0      110.9      1.035  0.366555  0.117302  0.338304  1.421623      5.975564
+     68   1      6   0   0     2  0.429553      85.134       45.5       46.2      0.594  0.364214  0.117882  0.341237  1.413251      2.967285
+     69   1      5   2   1     8  0.427896      85.657       98.2       98.5      0.687  0.362237  0.118379  0.343748  1.406278     11.801903
+     70   1      1   3   3     8  0.426885      85.978      166.5      159.5      0.974  0.361027  0.118687  0.345300  1.402055     11.761652
+     71   1      3   3   2     8  0.424245      86.819      187.9      181.5      1.209  0.357857  0.119508  0.349423  1.391139     11.659300
+     72   1      6   0   1     4  0.422740      87.302        0.5        0.5      0.013  0.356041  0.119988  0.351823  1.384979      5.801324
+     73   1      2   2   4     8  0.422087      87.512        2.3        2.3      0.065  0.355251  0.120198  0.352875  1.382322     11.578463
+     74   1      1   0   5     4  0.419885      88.226      160.2      159.1      0.604  0.352580  0.120921  0.356477  1.373417      5.749272
+     75   1      4   3   0     4  0.419456      88.366      406.5      408.6      1.208  0.352057  0.121065  0.357189  1.371691      5.741627
+     76   1      5   0   3     4  0.418796      88.581       38.4       39.1      0.128  0.351252  0.121287  0.358291  1.369040      5.729957
+     77   1      6   1   0     4  0.418326      88.735      218.5      224.4      0.966  0.350678  0.121446  0.359080  1.367159      5.721725
+     78   1      4   2   3     8  0.414946      89.853       39.2       37.5      0.327  0.346530  0.122622  0.364877  1.353721     11.328249
+     79   1      0   4   0     2  0.413830      90.227      484.9      464.9      1.434  0.345150  0.123024  0.366843  1.349314      2.822855
+     80   1      2   3   3     8  0.413463      90.351        0.4        0.4      0.001  0.344696  0.123157  0.367494  1.347870     11.279455
+     81   1      0   1   5     4  0.413421      90.365      136.2      131.3      0.430  0.344645  0.123172  0.367567  1.347706      5.639052
+     82   1      4   3   1     8  0.412936      90.528        0.3        0.3      0.001  0.344043  0.123349  0.368435  1.345796     11.262368
+     83   1      4   0   4     4  0.412692      90.611        5.9        5.8      0.027  0.343740  0.123439  0.368872  1.344838      5.627257
+     84   1      6   1   1     8  0.411846      90.898      256.7      271.2      1.288  0.342688  0.123753  0.370400  1.341515     11.227448
+     85   1      1   1   5     8  0.409159      91.822        0.1        0.1      0.003  0.339325  0.124778  0.375362  1.331000     11.143704
+     86   1      5   2   2     8  0.408216      92.150        3.2        4.1      0.045  0.338138  0.125149  0.377144  1.327321     11.115115
+     87   1      5   1   3     8  0.408138      92.177       59.3       76.7      0.818  0.338039  0.125180  0.377293  1.327015     11.112750
+     88   1      2   0   5     4  0.406946      92.597       20.0       25.9      0.495  0.336531  0.125659  0.379583  1.322366      5.538599
+     89   1      6   0   2     4  0.403614      93.793       52.2       50.8      0.680  0.332274  0.127054  0.386195  1.309368      5.490557
+     90   1      1   4   1     8  0.403462      93.849        7.9        7.7      0.096  0.332077  0.127120  0.386506  1.308770     10.976815
+     91   1      4   1   4     8  0.402482      94.210       38.4       37.0      0.440  0.330812  0.127550  0.388520  1.304939     10.949533
+     92   1      3   2   4     8  0.400900      94.801      486.2      487.0      1.824  0.328754  0.128264  0.391844  1.298727     10.906284
+     93   1      2   4   0     4  0.397629      96.065        2.8        2.7      0.024  0.324439  0.129829  0.399017  1.285770      5.410070
+     94   1      2   1   5     8  0.397281      96.203      202.0      203.7      1.340  0.323974  0.130003  0.399807  1.284378     10.811233
+     95   1      4   3   2     8  0.395233      97.034        0.0        0.0      0.000  0.321214  0.131066  0.404577  1.276109     10.759718
+     96   1      6   1   2     8  0.394340      97.406        0.0        0.0      0.000  0.319997  0.131551  0.406725  1.272458     10.737778
+     97   1      3   3   3     8  0.393752      97.656      252.7      260.0      1.497  0.319188  0.131878  0.408168  1.270030     10.723465
+     98   1      2   4   1     8  0.392395      98.245        6.3        7.9      0.216  0.317307  0.132659  0.411575  1.264369     10.690989
+     99   1      0   4   2     4  0.390908      98.914       38.3       43.4      0.702  0.315212  0.133562  0.415460  1.258033      5.328084
+    100   1      6   2   0     4  0.389520      99.565      136.6      135.5      1.068  0.313221  0.134458  0.419251  1.251963      5.312194
+    101   1      3   0   5     4  0.388775      99.928       17.5       17.0      0.280  0.312135  0.134964  0.421362  1.248627      5.303807
+    102   1      1   4   2     8  0.387854     100.391       49.5       46.3      0.751  0.310773  0.135617  0.424057  1.244412     10.587126
+    103   1      1   3   4     8  0.386349     101.190       65.6       69.6      0.900  0.308493  0.136765  0.428700  1.237253     10.554235
+    104   1      6   2   1     8  0.385333     101.766        9.7       10.4      0.310  0.306908  0.137609  0.432037  1.232181     10.532443
+    105   1      1   2   5     8  0.383803     102.711       60.0       61.2      0.442  0.304423  0.139023  0.437482  1.224018     10.500150
+    106   1      5   2   3     8  0.383260     103.076      839.2      849.9      2.332  0.303505  0.139579  0.439572  1.220916     10.488819
+    107   1      3   1   5     8  0.382527     103.601       79.6       81.9      0.610  0.302225  0.140391  0.442565  1.216498     10.473612
+    108   1      5   3   1     8  0.382305     103.770        5.8        5.7      0.063  0.301825  0.140654  0.443521  1.215092     10.469010
+    109   1      5   0   4     4  0.382196     103.854       17.6       16.8      0.245  0.301626  0.140787  0.444002  1.214387      5.233372
+    110   1      6   0   3     4  0.381126     104.767       12.6       12.6      0.241  0.299579  0.142237  0.449121  1.206900      5.222273
+    111   1      2   4   2     8  0.381016     104.870       33.0       33.3      0.548  0.299357  0.142404  0.449697  1.206059     10.442270
+    112   1      4   2   4     8  0.380719     105.168       18.3       18.7      0.473  0.298734  0.142888  0.451346  1.203657     10.436017
+    113   1      2   3   4     8  0.380256     105.684        2.4        3.2      0.177  0.297702  0.143735  0.454175  1.199538     10.426176
+    114   1      3   4   1     8  0.380248     105.694        1.1        1.5      0.083  0.297682  0.143752  0.454232  1.199456     10.425990
+    115   1      7   0   1     4  0.379694     106.464        2.2        2.5      0.169  0.296264  0.145040  0.458379  1.193412      5.206841
+    116   1      2   2   5     8  0.379308     107.235      148.4      154.7      1.227  0.294994  0.146362  0.462442  1.187465     10.404131
+    117   1      5   1   4     8  0.379191     107.590       54.9       59.7      0.641  0.294464  0.146981  0.464274  1.184768     10.400680
+    118   1      4   3   3     8  0.379089     108.130       22.0       19.8      0.376  0.293726  0.147935  0.467014  1.180705     10.396563
+    119   1      6   2   2     8  0.379075     108.491      117.8      118.5      1.226  0.293283  0.148581  0.468807  1.178026     10.394583
+    120   1      6   1   3     8  0.379075     108.520        1.0        1.0      0.011  0.293249  0.148633  0.468950  1.177812     10.394451
 
    No.  Code     H   K   L  Mult     Hw         2theta      Icalc       Iobs      Sigma      HwG     HwL       ETA       d-hkl        CORR
 
-    121   1      7   1   1     8  0.379724     110.252       23.6       23.8      0.299  0.291780  0.151842  0.477047  1.165266     10.393757
-    122   1      4   0   5     4  0.379908     110.510      252.4      262.4      1.512  0.291641  0.152333  0.478187  1.163449      5.197436
-    123   1      5   3   2     8  0.379950     110.564        2.5        2.5      0.015  0.291615  0.152438  0.478426  1.163066     10.395148
-    124   1      0   0   6     2  0.380357     111.027       72.8       70.9      0.776  0.291437  0.153333  0.480420  1.159828      2.599518
-    125   1      1   4   3     8  0.381057     111.660       95.0       93.2      1.013  0.291326  0.154578  0.483034  1.155464     10.403737
-    126   1      3   4   2     8  0.382361     112.566      244.0      232.6      1.458  0.291450  0.156404  0.486537  1.149331     10.415224
-    127   1      1   0   6     4  0.382411     112.596        6.1        5.8      0.037  0.291460  0.156466  0.486649  1.149128      5.207838
-    128   1      7   0   2     4  0.383832     113.368      219.6      235.6      1.499  0.291854  0.158068  0.489387  1.144011      5.214377
-    129   1      3   3   4     8  0.383934     113.418        2.1        2.2      0.015  0.291888  0.158173  0.489556  1.143683     10.429700
-    130   1      4   4   0     4  0.385809     114.250       34.7       29.5      0.777  0.292637  0.159944  0.492220  1.138290      5.223639
-    131   1      4   1   5     8  0.386186     114.401        0.7        0.7      0.022  0.292808  0.160270  0.492672  1.137324     10.450832
-    132   1      3   2   5     8  0.387948     115.050       45.4       43.5      0.982  0.293674  0.161694  0.494505  1.133205     10.467455
-    133   1      2   4   3     8  0.392524     116.446       53.0       56.2      0.442  0.296279  0.164863  0.497800  1.124566     10.510497
-    134   1      1   1   6     8  0.392909     116.550        0.6        0.6      0.003  0.296515  0.165105  0.498008  1.123936     10.514097
-    135   1      4   4   1     8  0.393266     116.645      329.3      331.2      1.745  0.296737  0.165326  0.498194  1.123361     10.517443
-    136   1      7   1   2     8  0.396083     117.348      118.3      127.7      1.189  0.298535  0.166989  0.499431  1.119147     10.543668
-    137   1      2   0   6     4  0.396385     117.419        5.0        5.4      0.057  0.298733  0.167160  0.499543  1.118723      5.273238
-    138   1      6   3   0     4  0.402270     118.680      153.9      151.3      1.411  0.302752  0.170252  0.501095  1.111359      5.300307
-    139   1      5   2   4     8  0.405936     119.370       90.8       94.6      1.129  0.305375  0.172003  0.501597  1.107424     10.633943
-    140   1      6   2   3     8  0.411954     120.390       33.4       34.8      0.394  0.309823  0.174668  0.501881  1.101737     10.688037
-    141   1      0   3   5     4  0.412994     120.554      142.6      144.6      1.272  0.310607  0.175106  0.501875  1.100834      5.348660
-    142   1      6   3   1     8  0.417104     121.175       32.3       31.8      0.404  0.313740  0.176788  0.501726  1.097452     10.733808
-    143   1      6   0   4     4  0.417767     121.272        0.5        0.5      0.005  0.314250  0.177052  0.501684  1.096933      5.369834
-    144   1      2   1   6     8  0.419722     121.550      263.6      273.4      1.700  0.315762  0.177821  0.501538  1.095439     10.756909
-    145   1      1   3   5     8  0.424983     122.261       16.2       16.2      0.139  0.319878  0.179817  0.500979  1.091673     10.803017
-    146   1      7   2   1     8  0.425311     122.303      119.5      120.1      0.977  0.320137  0.179938  0.500937  1.091449     10.805882
-    147   1      5   3   3     8  0.428290     122.682      138.8      142.4      1.304  0.322498  0.181026  0.500525  1.089471     10.831816
-    148   1      4   4   2     8  0.441152     124.173       10.4        8.7      0.394  0.332868  0.185456  0.498193  1.081869     10.942606
-    149   1      3   4   3     8  0.448323     124.922      226.4      200.0      1.550  0.338752  0.187778  0.496609  1.078157     11.003699
-    150   1      4   3   4     8  0.450370     125.127       22.1       20.4      0.160  0.340442  0.188425  0.496129  1.077155     11.021055
-    151   1      5   0   5     4  0.453064     125.392       65.1       64.3      0.592  0.342672  0.189266  0.495482  1.075870      5.521926
-    152   1      6   1   4     8  0.455028     125.580        8.2        8.2      0.076  0.344304  0.189872  0.495000  1.074956     11.060445
-    153   1      7   0   3     4  0.457660     125.829       96.3       96.9      0.859  0.346495  0.190677  0.494341  1.073762      5.541320
-    154   1      3   0   6     4  0.459367     125.987       45.9       45.5      0.506  0.347919  0.191194  0.493907  1.073005      5.548504
-    155   1      4   2   5     8  0.470448     126.967      246.0      260.2      1.775  0.357221  0.194464  0.490976  1.068387     11.189867
-    156   1      0   5   1     4  0.474816     127.333       43.5       40.7      0.314  0.360913  0.195717  0.489779  1.066694      5.613154
-    157   1      0   4   4     4  0.476078     127.437       19.1       16.9      0.139  0.361981  0.196075  0.489429  1.066216      5.618409
-    158   1      0   2   6     4  0.477779     127.575        0.3        0.3      0.002  0.363423  0.196556  0.488956  1.065581      5.625486
-    159   1      2   3   5     8  0.477990     127.592      142.3      118.3      1.173  0.363601  0.196616  0.488898  1.065503     11.252721
-    160   1      8   0   0     2  0.494036     128.828      239.1      248.5      1.765  0.377280  0.201034  0.484342  1.059938      2.846426
-    161   1      6   3   2     8  0.497991     129.116        0.1        0.1      0.001  0.380670  0.202094  0.483202  1.058669     11.418356
-    162   1      1   5   1     8  0.498995     129.188        8.7        8.9      0.064  0.381532  0.202362  0.482912  1.058352     11.426636
-    163   1      1   4   4     8  0.500487     129.294        4.0        4.1      0.029  0.382813  0.202758  0.482481  1.057886     11.438941
-    164   1      1   2   6     8  0.502498     129.437      202.3      202.9      1.455  0.384541  0.203290  0.481899  1.057266     11.455513
-    165   1      5   1   5     8  0.509712     129.934       29.4       28.1      0.290  0.390753  0.205179  0.479809  1.055111     11.514876
-    166   1      7   2   2     8  0.516145     130.364      177.8      179.5      1.165  0.396307  0.206840  0.477943  1.053276     11.567723
-    167   1      7   1   3     8  0.516695     130.400      123.4      124.6      0.824  0.396782  0.206981  0.477784  1.053123     11.572231
-    168   1      3   1   6     8  0.519283     130.568       24.2       23.9      0.218  0.399021  0.207642  0.477034  1.052409     11.593469
-    169   1      8   0   1     4  0.536836     131.662       35.4       31.8      0.587  0.414253  0.212049  0.471976  1.047853      5.868618
-    170   1      2   5   0     4  0.544196     132.097      185.8      174.6      1.983  0.420662  0.213860  0.469878  1.046078      5.898703
-    171   1      5   4   1     8  0.553506     132.630        1.3        1.2      0.055  0.428786  0.216123  0.467248  1.043934     11.873456
-    172   1      8   1   0     4  0.571523     133.609        1.0        1.0      0.095  0.444551  0.220428  0.462251  1.040071      6.010236
-    173   1      2   5   1     8  0.600899     135.083      228.5      219.8      1.974  0.470358  0.227268  0.454404  1.034456     12.260019
-    174   1      2   4   4     8  0.603349     135.200        0.0        0.0      0.000  0.472514  0.227830  0.453768  1.034021     12.279995
-    175   1      2   2   6     8  0.606651     135.356      142.6      134.0      1.310  0.475423  0.228585  0.452915  1.033441     12.306930
-    176   1      8   1   1     8  0.635913     136.676        6.4        7.6      0.247  0.501239  0.235198  0.445585  1.028646     12.545689
-    177   1      3   3   5     8  0.655188     137.489      332.8      334.1      2.527  0.518282  0.239482  0.440981  1.025781     12.703153
-    178   1      1   5   2     8  0.672051     138.168       42.3       39.6      0.461  0.533212  0.243191  0.437098  1.023440     12.841079
-    179   1      4   4   3     8  0.683853     138.627      245.7      248.5      2.646  0.543671  0.245767  0.434459  1.021884     12.937714
-    180   1      4   0   6     4  0.720018     139.957        0.1        0.2      0.011  0.575760  0.253578  0.426761  1.017494      6.617210
+    121   1      7   1   1     8  0.379660     110.252       23.6       23.8      0.299  0.291714  0.151841  0.477112  1.165266     10.393755
+    122   1      4   0   5     4  0.379842     110.510      252.5      262.5      1.512  0.291575  0.152331  0.478254  1.163449      5.197435
+    123   1      5   3   2     8  0.379884     110.564        2.5        2.5      0.015  0.291548  0.152436  0.478493  1.163067     10.395146
+    124   1      0   0   6     2  0.380289     111.027       72.9       70.9      0.776  0.291368  0.153331  0.480489  1.159829      2.599518
+    125   1      1   4   3     8  0.380986     111.660       95.0       93.2      1.013  0.291254  0.154576  0.483106  1.155465     10.403735
+    126   1      3   4   2     8  0.382287     112.566      244.1      232.6      1.458  0.291373  0.156402  0.486614  1.149332     10.415222
+    127   1      1   0   6     4  0.382337     112.596        6.1        5.8      0.037  0.291383  0.156464  0.486726  1.149129      5.207837
+    128   1      7   0   2     4  0.383754     113.368      219.7      235.7      1.499  0.291774  0.158066  0.489468  1.144011      5.214376
+    129   1      3   3   4     8  0.383855     113.418        2.1        2.2      0.015  0.291808  0.158170  0.489637  1.143684     10.429698
+    130   1      4   4   0     4  0.385726     114.250       34.7       29.6      0.777  0.292552  0.159942  0.492305  1.138291      5.223638
+    131   1      4   1   5     8  0.386102     114.400        0.7        0.7      0.022  0.292723  0.160268  0.492758  1.137325     10.450829
+    132   1      3   2   5     8  0.387861     115.050       45.4       43.5      0.982  0.293585  0.161692  0.494595  1.133206     10.467450
+    133   1      2   4   3     8  0.392430     116.446       53.0       56.2      0.442  0.296183  0.164861  0.497897  1.124567     10.510490
+    134   1      1   1   6     8  0.392814     116.550        0.6        0.6      0.003  0.296418  0.165102  0.498106  1.123937     10.514092
+    135   1      4   4   1     8  0.393172     116.645      329.4      331.3      1.746  0.296639  0.165324  0.498292  1.123362     10.517439
+    136   1      7   1   2     8  0.395984     117.348      118.3      127.7      1.189  0.298434  0.166987  0.499533  1.119147     10.543666
+    137   1      2   0   6     4  0.396286     117.419        5.0        5.4      0.057  0.298632  0.167158  0.499645  1.118724      5.273235
+    138   1      6   3   0     4  0.402164     118.680      153.9      151.3      1.411  0.302643  0.170250  0.501202  1.111360      5.300305
+    139   1      5   2   4     8  0.405827     119.370       90.9       94.6      1.130  0.305262  0.172001  0.501707  1.107425     10.633936
+    140   1      6   2   3     8  0.411839     120.389       33.4       34.8      0.394  0.309705  0.174665  0.501996  1.101738     10.688029
+    141   1      0   3   5     4  0.412878     120.554      142.6      144.6      1.272  0.310487  0.175104  0.501991  1.100835      5.348655
+    142   1      6   3   1     8  0.416985     121.175       32.3       31.8      0.404  0.313617  0.176786  0.501844  1.097453     10.733801
+    143   1      6   0   4     4  0.417647     121.272        0.5        0.5      0.005  0.314127  0.177050  0.501803  1.096933      5.369831
+    144   1      2   1   6     8  0.419601     121.550      263.7      273.5      1.700  0.315637  0.177818  0.501657  1.095439     10.756900
+    145   1      1   3   5     8  0.424857     122.261       16.2       16.2      0.139  0.319749  0.179814  0.501101  1.091673     10.803007
+    146   1      7   2   1     8  0.425186     122.303      119.5      120.2      0.977  0.320008  0.179936  0.501059  1.091449     10.805876
+    147   1      5   3   3     8  0.428162     122.682      138.9      142.5      1.304  0.322366  0.181023  0.500648  1.089471     10.831806
+    148   1      4   4   2     8  0.441015     124.173       10.4        8.8      0.394  0.332728  0.185454  0.498320  1.081870     10.942592
+    149   1      3   4   3     8  0.448182     124.922      226.4      199.9      1.550  0.338607  0.187775  0.496738  1.078158     11.003684
+    150   1      4   3   4     8  0.450228     125.127       22.1       20.4      0.160  0.340296  0.188422  0.496259  1.077155     11.021043
+    151   1      5   0   5     4  0.452920     125.391       65.1       64.4      0.592  0.342525  0.189263  0.495612  1.075870      5.521920
+    152   1      6   1   4     8  0.454884     125.580        8.2        8.2      0.076  0.344155  0.189870  0.495130  1.074957     11.060433
+    153   1      7   0   3     4  0.457515     125.829       96.3       96.9      0.859  0.346345  0.190674  0.494471  1.073762      5.541316
+    154   1      3   0   6     4  0.459220     125.987       46.0       45.5      0.506  0.347768  0.191191  0.494037  1.073005      5.548496
+    155   1      4   2   5     8  0.470295     126.967      246.1      260.2      1.775  0.357065  0.194461  0.491108  1.068388     11.189852
+    156   1      0   5   1     4  0.474661     127.333       43.5       40.7      0.314  0.360754  0.195714  0.489911  1.066694      5.613143
+    157   1      0   4   4     4  0.475922     127.437       19.1       16.9      0.139  0.361821  0.196072  0.489562  1.066217      5.618396
+    158   1      0   2   6     4  0.477623     127.575        0.3        0.3      0.002  0.363262  0.196554  0.489089  1.065582      5.625475
+    159   1      2   3   5     8  0.477833     127.592      142.4      118.4      1.173  0.363441  0.196613  0.489030  1.065504     11.252703
+    160   1      8   0   0     2  0.493874     128.828      239.1      248.5      1.765  0.377114  0.201031  0.484475  1.059938      2.846424
+    161   1      6   3   2     8  0.497827     129.116        0.1        0.1      0.001  0.380502  0.202091  0.483335  1.058669     11.418343
+    162   1      1   5   1     8  0.498829     129.188        8.7        9.0      0.064  0.381362  0.202359  0.483045  1.058353     11.426613
+    163   1      1   4   4     8  0.500321     129.294        4.0        4.1      0.029  0.382642  0.202755  0.482614  1.057887     11.438915
+    164   1      1   2   6     8  0.502331     129.436      202.4      202.9      1.455  0.384370  0.203287  0.482032  1.057267     11.455489
+    165   1      5   1   5     8  0.509543     129.934       29.4       28.1      0.290  0.390579  0.205176  0.479941  1.055112     11.514857
+    166   1      7   2   2     8  0.515974     130.363      177.8      179.5      1.165  0.396131  0.206837  0.478075  1.053277     11.567709
+    167   1      7   1   3     8  0.516523     130.400      123.4      124.6      0.824  0.396606  0.206978  0.477916  1.053124     11.572218
+    168   1      3   1   6     8  0.519109     130.568       24.2       23.9      0.218  0.398843  0.207639  0.477166  1.052409     11.593443
+    169   1      8   0   1     4  0.536658     131.662       35.4       31.8      0.587  0.414070  0.212046  0.472107  1.047853      5.868612
+    170   1      2   5   0     4  0.544013     132.097      185.9      174.6      1.983  0.420476  0.213856  0.470009  1.046079      5.898689
+    171   1      5   4   1     8  0.553321     132.630        1.3        1.2      0.055  0.428597  0.216120  0.467378  1.043935     11.873430
+    172   1      8   1   0     4  0.571333     133.609        1.0        1.0      0.095  0.444357  0.220425  0.462379  1.040072      6.010229
+    173   1      2   5   1     8  0.600698     135.083      228.6      219.8      1.974  0.470153  0.227264  0.454531  1.034457     12.259982
+    174   1      2   4   4     8  0.603147     135.200        0.0        0.0      0.000  0.472309  0.227826  0.453895  1.034021     12.279957
+    175   1      2   2   6     8  0.606449     135.356      142.6      134.0      1.310  0.475216  0.228582  0.453041  1.033442     12.306891
+    176   1      8   1   1     8  0.635704     136.676        6.4        7.6      0.246  0.501027  0.235194  0.445707  1.028646     12.545670
+    177   1      3   3   5     8  0.654971     137.489      333.0      334.2      2.527  0.518062  0.239478  0.441103  1.025782     12.703104
+    178   1      1   5   2     8  0.671829     138.168       42.3       39.6      0.461  0.532987  0.243187  0.437218  1.023441     12.841020
+    179   1      4   4   3     8  0.683630     138.626      245.8      248.5      2.646  0.543444  0.245763  0.434578  1.021885     12.937663
+    180   1      4   0   6     4  0.719786     139.956        0.1        0.2      0.011  0.575525  0.253574  0.426876  1.017495      6.617184
 
    No.  Code     H   K   L  Mult     Hw         2theta      Icalc       Iobs      Sigma      HwG     HwL       ETA       d-hkl        CORR
 
-    181   1      6   2   4     8  0.731645     140.362       13.9       18.1      0.806  0.586088  0.256065  0.424405  1.016191     13.330017
-    182   1      8   0   2     4  0.752819     141.075       45.7       52.5      1.629  0.604907  0.260569  0.420258  1.013937      6.752182
-    183   1      5   4   2     8  0.789210     142.231       57.7       59.2      1.973  0.637280  0.268243  0.413536  1.010385     13.804849
-    184   1      5   3   4     8  0.833401     143.532        0.6        0.8      0.074  0.676630  0.277469  0.406007  1.006541     14.171194
-    185   1      6   3   3     8  0.889624     145.047       28.4       28.6      0.576  0.726739  0.289090  0.397326  1.002266     14.639549
-    186   1      2   5   2     8  0.896496     145.222      147.7      147.1      2.387  0.732866  0.290503  0.396327  1.001784     14.696963
-    187   1      4   1   6     8  0.924827     145.925        5.3        4.9      0.066  0.758132  0.296314  0.392344  0.999881     14.934063
-    188   1      5   2   5     8  0.932684     146.114      137.8      128.7      1.570  0.765140  0.297921  0.391277  0.999377     14.999914
-    189   1      3   5   1     8  0.955042     146.641       80.2       77.3      0.726  0.785085  0.302487  0.388321  0.997990     15.187592
-    190   1      7   2   3     8  0.960094     146.758       90.5       88.4      0.824  0.789594  0.303518  0.387669  0.997686     15.230061
-    191   1      3   4   4     8  0.961557     146.791       16.6       16.2      0.152  0.790899  0.303816  0.387481  0.997599     15.242365
-    192   1      3   2   6     8  0.970389     146.992      190.6      191.7      1.965  0.798779  0.305615  0.386360  0.997079     15.316642
-    193   1      8   1   2     8  0.980348     147.216        6.6        6.7      0.084  0.807666  0.307642  0.385116  0.996505     15.400453
-    194   1      7   3   1     8  1.016942     148.010       13.4       13.9      0.326  0.840324  0.315073  0.380729  0.994501     15.709092
-    195   1      7   0   4     4  1.024355     148.166       41.4       43.4      1.073  0.846941  0.316575  0.379874  0.994114      7.885858
-    196   1      6   0   5     4  1.074665     149.182       79.4       87.2      2.396  0.891853  0.326748  0.374347  0.991646      8.098879
-    197   1      1   0   7     4  1.176093     151.035        0.1        0.1      0.004  0.982421  0.347155  0.364502  0.987375      8.530750
-    198   1      8   2   0     4  1.197733     151.400      146.4      175.8      5.058  1.001748  0.351495  0.362597  0.986568      8.623289
-    199   1      0   5   3     4  1.469282     155.286       11.8       12.4      0.605  1.244302  0.405689  0.343139  0.978673      9.794182
+    181   1      6   2   4     8  0.731411     140.362       13.9       18.1      0.806  0.585851  0.256061  0.424519  1.016191     13.329968
+    182   1      8   0   2     4  0.752581     141.075       45.7       52.5      1.629  0.604666  0.260565  0.420370  1.013937      6.752168
+    183   1      5   4   2     8  0.788961     142.231       57.8       59.2      1.973  0.637028  0.268239  0.413645  1.010385     13.804792
+    184   1      5   3   4     8  0.833142     143.532        0.6        0.8      0.074  0.676369  0.277464  0.406113  1.006542     14.171126
+    185   1      6   3   3     8  0.889352     145.046       28.4       28.6      0.576  0.726465  0.289084  0.397428  1.002266     14.639476
+    186   1      2   5   2     8  0.896220     145.222      147.8      147.0      2.387  0.732588  0.290497  0.396429  1.001785     14.696862
+    187   1      4   1   6     8  0.924547     145.925        5.3        4.9      0.066  0.757850  0.296308  0.392444  0.999882     14.933975
+    188   1      5   2   5     8  0.932402     146.114      137.9      128.7      1.571  0.764856  0.297916  0.391376  0.999377     14.999837
+    189   1      3   5   1     8  0.954752     146.641       80.2       77.3      0.726  0.784794  0.302481  0.388419  0.997991     15.187480
+    190   1      7   2   3     8  0.959809     146.757       90.6       88.5      0.825  0.789306  0.303512  0.387766  0.997687     15.229978
+    191   1      3   4   4     8  0.961268     146.791       16.6       16.3      0.152  0.790608  0.303810  0.387579  0.997600     15.242263
+    192   1      3   2   6     8  0.970097     146.992      190.7      191.7      1.965  0.798485  0.305609  0.386457  0.997080     15.316525
+    193   1      8   1   2     8  0.980059     147.216        6.6        6.7      0.084  0.807374  0.307637  0.385212  0.996505     15.400385
+    194   1      7   3   1     8  1.016644     148.010       13.4       13.9      0.326  0.840024  0.315067  0.380823  0.994501     15.708997
+    195   1      7   0   4     4  1.024056     148.166       41.4       43.4      1.073  0.846640  0.316570  0.379967  0.994115      7.885820
+    196   1      6   0   5     4  1.074354     149.182       79.4       87.1      2.396  0.891540  0.326741  0.374438  0.991646      8.098824
+    197   1      1   0   7     4  1.175754     151.034        0.1        0.1      0.004  0.982082  0.347147  0.364589  0.987376      8.530663
+    198   1      8   2   0     4  1.197399     151.400      146.4      175.7      5.058  1.001412  0.351489  0.362682  0.986569      8.623239
+    199   1      0   5   3     4  1.468872     155.285       11.8       12.4      0.605  1.243893  0.405677  0.343217  0.978674      9.794004
 
      -----------------------------------------------------
      BRAGG R-Factors and weight fractions for Pattern #  1
      -----------------------------------------------------
 
- => Phase:  1      PbSO4                       VARY xyz b          BKG blue
- => Bragg R-factor:   3.43       Vol:  318.484( 0.009)  Fract(%):  100.00( 0.48)
+ => Phase:  1     PbSO4
+ => Bragg R-factor:   3.43       Vol:  318.485( 0.000)  Fract(%):  100.00( 0.00)
  => Rf-factor=  2.18             ATZ:        1213.030   Brindley:  1.0000
 
      -----------------------------------------------------------------
       SYMBOLIC NAMES AND FINAL VALUES AND SIGMA OF REFINED PARAMETERS:
      -----------------------------------------------------------------
 
-      ->  Parameter number    1 :                                     Scale_ph1_pat1     1.4639016    ( +/-    0.49738484E-02 )
-      ->  Parameter number    2 :                                        Biso_O3_ph1     1.3016233    ( +/-    0.22567267E-01 )
-      ->  Parameter number    3 :                                           Z_O3_ph1    0.80869013    ( +/-    0.14011281E-03 )
-      ->  Parameter number    4 :                                        Biso_Pb_ph1     1.3907480    ( +/-    0.22781480E-01 )
-      ->  Parameter number    5 :                                         Biso_S_ph1    0.39363277    ( +/-    0.41021049E-01 )
-      ->  Parameter number    6 :                                        Biso_O1_ph1     1.9935330    ( +/-    0.32509070E-01 )
-      ->  Parameter number    7 :                                        Biso_O2_ph1     1.4781082    ( +/-    0.30823825E-01 )
-      ->  Parameter number    8 :                                          Zero_pat1   -0.84246397E-01( +/-    0.29805899E-02 )
-      ->  Parameter number    9 :                                    Cell_A_ph1_pat1     8.4795036    ( +/-    0.13749472E-03 )
-      ->  Parameter number   10 :                                    Cell_B_ph1_pat1     5.3972526    ( +/-    0.90879592E-04 )
-      ->  Parameter number   11 :                                    Cell_C_ph1_pat1     6.9589686    ( +/-    0.11797108E-03 )
-      ->  Parameter number   12 :                                    U-Cagl_ph1_pat1    0.15344714    ( +/-    0.29906402E-02 )
-      ->  Parameter number   13 :                                    V-Cagl_ph1_pat1   -0.45316312    ( +/-    0.66747391E-02 )
-      ->  Parameter number   14 :                                    W-Cagl_ph1_pat1    0.41943395    ( +/-    0.41351616E-02 )
-      ->  Parameter number   15 :                                     Y-cos_ph1_pat1    0.86818576E-01( +/-    0.20435508E-02 )
-      ->  Parameter number   16 :                                           Y_O3_ph1    0.27269918E-01( +/-    0.15118092E-03 )
-      ->  Parameter number   17 :                                           X_Pb_ph1    0.18752088    ( +/-    0.89711015E-04 )
-      ->  Parameter number   18 :                                           Z_Pb_ph1    0.16704999    ( +/-    0.14404213E-03 )
-      ->  Parameter number   19 :                                            X_S_ph1    0.65489948E-01( +/-    0.27574351E-03 )
-      ->  Parameter number   20 :                                            Z_S_ph1    0.68374079    ( +/-    0.36823202E-03 )
-      ->  Parameter number   21 :                                           X_O1_ph1    0.90816021    ( +/-    0.18590408E-03 )
-      ->  Parameter number   22 :                                           Z_O1_ph1    0.59544045    ( +/-    0.19418607E-03 )
-      ->  Parameter number   23 :                                           X_O2_ph1    0.19355032    ( +/-    0.18173295E-03 )
-      ->  Parameter number   24 :                                           Z_O2_ph1    0.54330033    ( +/-    0.22860026E-03 )
-      ->  Parameter number   25 :                                           X_O3_ph1    0.81089795E-01( +/-    0.10834442E-03 )
-      ->  Parameter number   26 :                                         Bck_0_pat1     209.99109    ( +/-     3.5304291     )
-      ->  Parameter number   27 :                                         Bck_1_pat1     196.75732    ( +/-     2.5495307     )
-      ->  Parameter number   28 :                                         Bck_2_pat1     195.71971    ( +/-     1.6341926     )
-      ->  Parameter number   29 :                                         Bck_3_pat1     190.75024    ( +/-     1.1222788     )
-      ->  Parameter number   30 :                                         Bck_4_pat1     208.27116    ( +/-     1.0980941     )
-      ->  Parameter number   31 :                                         Bck_5_pat1     202.09029    ( +/-    0.58875495     )
-      ->  Parameter number   32 :                                         Bck_6_pat1     245.48338    ( +/-     1.1214601     )
-      ->  Parameter number   33 :                                         Bck_7_pat1     224.83482    ( +/-     1.7068248     )
-      ->  Parameter number   34 :                                     Asym1_ph1_pat1    0.29462573    ( +/-    0.19805359E-01 )
-      ->  Parameter number   35 :                                     Asym3_ph1_pat1   -0.10959826    ( +/-    0.45390025E-01 )
-      ->  Parameter number   36 :                                     Asym2_ph1_pat1    0.22571618E-01( +/-    0.35135567E-02 )
-      ->  Parameter number   37 :                                     Asym4_ph1_pat1    0.49517401E-01( +/-    0.83251493E-02 )
 
  ------------------------------------------------------------------
  => Number of bytes for floating point variables: 4
  => Dimensions of dynamic allocated arrays in this run of FullProf:
  ------------------------------------------------------------------
 
- => Total approximate array memory (dynamic + static): 127459053 bytes
+ => Total approximate array memory (dynamic + static): 132451053 bytes
 
     MaxPOINT=    80000 Max.num. of points(+int. Inten.)/diffraction pattern       
     MaxREFLT=    25000 Max.num. of reflections/diffraction pattern               
@@ -738,7 +651,7 @@
     NGL     =      400 Max.num. of global parameters/diffraction pattern          
     N_LINC  =       50 Max.num. of global linear restraints                        
     NAT_P   =       80 Max.num. of atomic parameters per atom                     
-    NCONST  =      500 Max.num. of slack constraints per phase                    
+    NCONST  =     3500 Max.num. of slack constraints per phase                    
     N_SPE   =       30 Max.num. of different chemical species                     
     N_FORM  =       60 Max.num. of scattering factor values in a table            
     NPR     =      150 Max.num. of points defining a numerical profile            
@@ -747,7 +660,7 @@
     NSOL    =       10 Max.num. of solutions to be stored in Montecarlo searchs   
 
  
-              CPU Time:     0.344 seconds
+              CPU Time:     0.359 seconds
                             0.006 minutes
 
- => Run finished at:     Date: 06/06/2026  Time: 20:44:32.993                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:48:58.398                              
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.pcr b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.pcr
index 057c6237b..a32e34251 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.pcr
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.pcr
@@ -1,41 +1,41 @@
 COMM PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
-! Current global Chi2 (Bragg contrib.) =      3.581    
+! Current global Chi2 (Bragg contrib.) =      3.535    
 ! Files => DAT-file: pbso4.dat,  PCR-file: pbso4
 !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut
    1   7   1   8   2   0   0   0   0   0   0   0   0   0   0   0   0   1   1
 !
 !Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana
-   2   0   1   0   1   0   4   0   0   1   6   1   1   0   0   1   1
+   2   2   1   0   1   0   4   0   0   2   6   1   1   0   0   1   1
 !
 ! Lambda1  Lambda2    Ratio    Bkpos    Wdt    Cthm     muR   AsyLim   Rpolarz  2nd-muR -> Patt# 1
- 1.912000 1.912000  1.00000   70.000 30.0000  0.0000  0.0000  160.00    0.0000  0.0000
+ 1.912000 1.912000  1.00000   70.000  30.000  0.0000  0.0000  160.00    0.0000  0.0000
 !
 !NCY  Eps  R_at  R_an  R_pr  R_gl     Thmin       Step       Thmax    PSD    Sent0
 500  0.05  0.20  0.20  0.20  0.20     10.0000   0.050000   155.4500   0.000   0.000
 !
 !2Theta/TOF/E(Kev)   Background  for Pattern#  1
-        11.0000       209.9911        261.00
-        15.0000       196.7573        271.00
-        20.0000       195.7197        281.00
-        30.0000       190.7502        291.00
-        50.0000       208.2712        301.00
-        70.0000       202.0903        311.00
-       120.0000       245.4834        321.00
-       153.0000       224.8348        331.00
+        11.0000       209.9910          0.00
+        15.0000       196.7578          0.00
+        20.0000       195.7190          0.00
+        30.0000       190.7474          0.00
+        50.0000       208.2487          0.00
+        70.0000       202.0775          0.00
+       120.0000       245.4391          0.00
+       153.0000       224.8356          0.00
 ! 
 ! Excluded regions (LowT  HighT) for Pattern#  1
         0.00       10.00
       155.45      180.00
 ! 
 !
-      37    !Number of refined parameters
+       0    !Number of refined parameters
 !
 !  Zero    Code    SyCos    Code   SySin    Code  Lambda     Code MORE ->Patt# 1
- -0.08425   81.0  0.00000    0.0  0.00000    0.0 0.000000    0.00   0
+ -0.08424    0.0  0.00000    0.0  0.00000    0.0 0.000000    0.00   0
 !-------------------------------------------------------------------------------
 !  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   0.0000
 !-------------------------------------------------------------------------------
- PbSO4                       VARY xyz b          BKG blue
+PbSO4
 !
 !Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth       ATZ    Nvk Npr More
    5   0   0 0.0 0.0 1.0   0   0   0   0   0       1213.030   0   7   1
@@ -53,28 +53,28 @@ O-2
 !
 P n m a                  <--Space group symbol
 !Atom   Typ       X        Y        Z     Biso       Occ     In Fin N_t Spc /Codes
-Pb     PB      0.18752  0.25000  0.16705  1.39075   0.50000   0   0   0    1  #color cyan
-                171.00     0.00   181.00    41.00      0.00
-S      S       0.06549  0.25000  0.68374  0.39363   0.50000   0   0   0    2  #radius 0.5  color green
-                191.00     0.00   201.00    51.00      0.00
-O1     O       0.90816  0.25000  0.59544  1.99353   0.50000   0   0   0    3  #conn S O 0 2.2
-                211.00     0.00   221.00    61.00      0.00
-O2     O       0.19355  0.25000  0.54330  1.47811   0.50000   0   0   0    3  
-                231.00     0.00   241.00    71.00      0.00
-O3     O       0.08109  0.02727  0.80869  1.30162   1.00000   0   0   0    3  
-                251.00   161.00    31.00    21.00      0.00
+Pb     PB      0.18752  0.25000  0.16705  1.39017   0.50000   0   0   0    1  #color cyan
+                  0.00     0.00     0.00     0.00      0.00
+S      S       0.06549  0.25000  0.68373  0.39270   0.50000   0   0   0    2  #radius 0.5  color green
+                  0.00     0.00     0.00     0.00      0.00
+O1     O       0.90816  0.25000  0.59544  1.99307   0.50000   0   0   0    3  #conn S O 0 2.2
+                  0.00     0.00     0.00     0.00      0.00
+O2     O       0.19355  0.25000  0.54331  1.47771   0.50000   0   0   0    3  
+                  0.00     0.00     0.00     0.00      0.00
+O3     O       0.08109  0.02727  0.80869  1.30007   1.00000   0   0   0    3  
+                  0.00     0.00     0.00     0.00      0.00
 !-------> Profile Parameters for Pattern #   1  ----> Phase #   1
 !  Scale          Shape1      Bov      Str1      Str2      Str3   Strain-Model
-  1.463902       0.00000   0.00000   0.00000   0.00000   0.00000       0
-      11.00000     0.000     0.000     0.000     0.000     0.000
+  1.463815       0.00000   0.00000   0.00000   0.00000   0.00000       0
+       0.00000     0.000     0.000     0.000     0.000     0.000
 !       U            V            W             X            Y         GauSiz      LorSiz    Size-Model
-     0.153447    -0.453163     0.419434     0.000000     0.086819     0.000000     0.000000       0
-       121.00       131.00       141.00         0.00       151.00         0.00         0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
-   8.479504   5.397253   6.958969  90.000000  90.000000  90.000000   #box -0.25 1.25 -0.15 1.15 -0.15 1.15
-   91.00000  101.00000  111.00000    0.00000    0.00000    0.00000
+     0.153402    -0.453103     0.419409     0.000000     0.086818     0.000000     0.000000       0
+         0.00         0.00         0.00         0.00         0.00         0.00         0.00
+!     a          b         c        alpha      beta       gamma      # Cell Info
+   8.479506   5.397256   6.958973  90.000000  90.000000  90.000000   #box -0.25 1.25 -0.15 1.15 -0.15 1.15
+    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 !  Pref1    Pref2      Asy1     Asy2     Asy3     Asy4      S_L      D_L
-  0.00000  0.00000  0.29463  0.02257 -0.10960  0.04952  0.00000  0.00000
-     0.00     0.00   341.00   361.00   351.00   371.00     0.00     0.00
+  0.00000  0.00000  0.29465  0.02261 -0.10961  0.04941  0.00000  0.00000
+     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
 !  2Th1/TOF1    2Th2/TOF2  Pattern to plot
       10.000     155.450       1
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.prf b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.prf
index 1e0f2544c..979da8a7e 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.prf
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.prf
@@ -1,786 +1,3171 @@
- PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)    CELL:    8.47950   5.39725   6.95897   90.0000   90.0000   90.0000   SPGR: P n m a                TEMP:      0.00
-3111   1.0000  -0.0842
- 155.450  10.000 0.05000       8       0
-  1   2910   1.91200   1.91200  -0.08425   0.00000   0.00000
-  217    0
- 220.00  214.00  219.00  224.00  198.00  229.00  224.00  216.00
- 202.00  229.00  202.00  215.00  215.00  196.00  235.00  207.00
- 205.00  238.00  202.00  213.00  226.00  198.00  222.00  186.00
- 216.00  218.00  225.00  200.00  196.00  224.00  199.00  204.00
- 189.00  211.00  190.00  184.00  204.00  204.00  219.00  207.00
- 227.00  211.00  193.00  206.00  208.00  191.00  194.00  185.00
- 200.00  203.00  197.00  203.00  200.00  200.00  205.00  208.00
- 205.00  201.00  221.00  218.00  218.00  216.00  202.00  206.00
- 197.00  210.00  199.00  219.00  192.00  211.00  199.00  196.00
- 195.00  203.00  202.00  200.00  199.00  191.00  204.00  191.00
- 200.00  199.00  197.00  202.00  210.00  202.00  198.00  191.00
- 194.00  198.00  194.00  193.00  212.00  214.00  197.00  195.00
- 205.00  209.00  203.00  197.00  191.00  192.00  215.00  194.00
- 189.00  188.00  202.00  201.00  198.00  208.00  197.00  187.00
- 187.00  190.00  197.00  200.00  193.00  180.00  194.00  206.00
- 195.00  193.00  205.00  194.00  196.00  194.00  199.00  207.00
- 188.00  203.00  188.00  180.00  198.00  200.00  201.00  210.00
- 206.00  189.00  194.00  187.00  195.00  201.00  197.00  206.00
- 208.00  199.00  192.00  193.00  204.00  201.00  200.00  177.00
- 193.00  199.00  201.00  194.00  184.00  192.00  199.00  190.00
- 183.00  189.00  196.00  196.00  198.00  210.00  212.00  219.00
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-1167.41 1099.84 1008.49  913.84  836.63  794.58  800.12  858.85
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-1691.54 1525.99 1323.67 1113.11  918.67  757.47  638.68  564.36
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-1907.64 2146.15 2316.85 2391.31 2352.42 2202.83 1966.95 1682.65
-1388.97 1117.61  889.44  714.55  594.65  526.63  506.12  529.73
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- 793.65  633.65  509.88  419.33  356.25  314.12  286.96  269.96
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- 301.30  286.06  270.96  257.09  245.16  235.51  228.16  222.88
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- 208.76  208.80  208.84  208.90  208.97  209.06  209.17  209.30
- 209.46  209.65  209.89  210.21  210.64  211.25  212.15  213.47
- 215.38  218.00  221.48  225.79  230.79  236.16  241.46  246.21
- 249.99  252.69  254.75  257.43  262.75  273.23  291.43  319.49
- 358.44  407.49  463.66  521.76  574.83  615.04  634.86  629.32
- 598.51  548.33  487.94  426.33  370.22  323.45  287.28  261.03
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- 212.45  212.14  211.89  211.69  211.54  211.44  211.37  211.37
- 211.43  211.57  211.81  212.21  212.85  213.86  215.50  218.11
- 222.24  228.47  237.41  249.32  264.18  281.34  299.44  316.59
- 330.48  338.82  340.01  333.84  321.76  306.44  290.88  277.91
- 269.93  268.77  275.89  292.21  318.00  352.44  393.53  437.84
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- 435.46  399.91  365.80  335.71  312.06  296.38  289.36  290.74
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- 311.03  289.63  269.45  252.12  238.39  228.21  221.06  216.26
- 213.15  211.16  209.91  209.10  208.56  208.18  207.90  207.67
- 207.48  207.33  207.25  207.26  207.38  207.68  208.17  208.91
- 209.89  211.06  212.32  213.53  214.53  215.19  215.44  215.38
- 215.28  215.44  216.08  217.28  218.98  220.92  222.73  223.97
- 224.27  223.43  221.57  219.07  216.37  213.83  211.68  210.00
- 208.78  207.84  207.29  206.96  206.76  206.67  206.65  206.69
- 206.76  206.88  207.03  207.23  207.51  207.89  208.45  209.25
- 210.38  211.95  214.04  216.71  219.88  223.49  227.22  230.85
- 233.98  236.38  238.03  239.13  240.18  242.02  245.75  252.37
- 262.37  275.45  290.42  305.25  317.41  324.25  323.79  315.71
- 301.72  284.75  267.62  252.31  239.84  230.46  223.91  219.58
- 216.91  215.38  214.59  214.27  214.23  214.35  214.61  214.97
- 215.39  215.90  216.49  217.18  217.99  218.95  220.08  221.42
- 223.05  225.05  227.50  230.62  234.76  240.60  249.34  263.05
- 284.92  319.35  371.43  445.73  544.63  666.22  803.24  943.13
-1069.40 1164.24 1213.02 1211.52 1169.38 1103.53 1027.65  947.72
- 863.03  771.45  674.72  579.11  491.69  417.43  358.44  314.33
- 283.10  261.97  248.25  239.48  233.95  230.44  228.16  226.67
- 225.71  225.24  225.27  225.91  227.14  228.93  231.14  233.45
- 235.46  236.69  236.77  235.52  233.19  230.29  227.34  224.72
- 222.67  221.25  220.47  220.36  220.98  222.56  225.51  230.42
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- 327.38  316.52  300.53  282.90  266.17  252.05  241.18  233.41
- 228.28  225.15  223.45  222.74  222.72  223.24  224.31  226.11
- 228.96  233.40  240.06  249.38  261.62  276.42  292.70  308.70
- 322.32  331.56  335.67  336.35  338.15  347.51  371.30  415.49
- 483.52  574.44  681.39  791.61  887.31  948.63  958.90  912.97
- 822.38  709.19  594.81  493.93  413.95  356.52  319.74  299.90
- 292.78  294.22  300.26  307.25  311.98  312.07  306.54  296.24
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- 240.00  246.62  257.07  271.67  290.08  311.14  332.81  352.47
- 367.47  375.99  378.34  376.79  373.70  369.84  364.15  354.68
- 340.18  321.53  301.25  282.03  265.58  252.68  243.30  236.94
- 232.94  230.68  229.61  229.36  229.69  230.50  231.80  233.69
- 236.49  240.83  247.87  259.55  278.67  308.67  352.90  412.73
- 486.58  568.21  646.85  708.51  738.53  727.35  677.07  601.62
- 518.32  440.66  375.98  326.71  291.92  268.95  254.83  246.84
- 242.94  241.65  242.00  243.32  245.25  247.66  250.81  255.55
- 263.41  276.36  296.17  323.62  357.77  395.22  430.59  456.97
- 467.60  458.87  433.31  398.61  363.28  333.55  312.83  302.18
- 300.71  306.23  315.60  325.31  332.03  333.67  330.69  326.41
- 325.39  331.47  346.80  371.39  403.27  438.94  474.25  505.53
- 531.43  553.95  575.83  596.48  610.62  610.00  587.95  544.94
- 489.45  432.32  381.69  342.01  314.94  300.75  299.54  311.83
- 338.38  379.18  432.08  491.64  548.99  592.72  611.28  597.89
- 555.96  497.72  436.58  381.83  337.98  305.91  284.30  270.96
- 263.52  260.02  258.97  259.37  260.62  262.51  265.18  269.20
- 275.57  285.96  303.05  330.88  374.89  441.28  535.59  660.34
- 812.13  979.45 1142.29 1276.07 1359.56 1379.89 1337.46 1251.22
-1151.95 1063.79  994.94  939.58  884.61  816.62  731.00  635.47
- 542.63  462.10  398.14  350.97  318.37  297.15  284.12  276.72
- 273.09  272.13  273.42  277.08  283.61  293.75  308.15  327.35
- 351.85  382.80  422.82  476.89  552.72  659.05  800.66  972.34
-1155.80 1320.64 1429.62 1452.23 1383.46 1246.94 1077.31  907.32
- 763.21  661.56  608.80  602.87  634.82  689.72  747.67  786.65
- 787.46  743.32  665.31  574.10  487.11  414.08  358.21  318.48
- 291.90  274.96  264.55  258.28  254.51  252.25  251.18  250.87
- 251.70  254.24  259.35  268.04  281.11  298.59  319.21  340.20
- 357.52  366.79  365.01  353.22  336.25  319.52  306.34  297.64
- 292.45  288.76  284.41  278.18  270.44  262.43  255.26  249.48
- 245.22  242.34  240.58  239.61  239.31  239.48  240.07  241.16
- 242.96  245.95  250.87  258.69  270.41  286.57  306.68  328.87
- 349.84  365.41  371.94  368.70  359.29  349.35  343.22  342.37
- 345.73  350.48  353.55  353.72  353.72  360.11  381.57  427.68
- 507.35  625.29  777.73  948.45 1108.47 1220.09 1246.86 1175.34
-1029.80  855.41  689.37  551.64  447.86  375.48  328.24  299.07
- 281.91  272.08  266.52  263.38  261.68  261.04  261.42  263.17
- 267.08  274.65  288.31  311.40  347.50  398.77  464.01  536.75
- 605.00  652.82  664.74  634.58  572.67  498.49  428.19  370.12
- 326.60  296.43  276.89  264.98  258.13  254.38  252.49  251.69
- 251.61  252.13  253.30  255.29  258.56  264.06  273.46  289.69
- 316.90  359.82  421.85  502.44  594.38  683.09  748.14  768.63
- 734.98  659.15  566.36  477.95  405.16  351.12  314.45  291.62
- 278.63  271.76  268.01  265.24  262.37  259.36  256.71  255.03
- 254.88  256.88  261.72  269.91  281.41  295.27  309.39  320.66
- 325.84  323.04  313.85  302.52  293.36  289.74  294.28  309.47
- 337.09  376.96  425.63  475.50  515.54  533.64  522.69  487.62
- 442.29  399.24  364.70  339.61  321.91  308.92  299.33  293.75
- 293.51  299.34  310.73  325.54  340.02  349.41  349.40  339.02
- 321.91  303.35  287.02  274.62  266.55  262.80  263.44  268.89
- 279.88  296.79  318.81  343.49  366.14  380.82  382.01  368.84
- 346.55  322.38  301.38  285.71  275.72  270.72  269.51  270.59
- 272.39  273.44  272.85  270.77  268.21  265.99  264.69  264.49
- 265.44  267.55  270.94  275.93  283.22  293.92  309.57  331.76
- 361.77  400.31  448.03  507.26  584.30  692.41  850.79 1073.77
-1355.42 1659.39 1920.15 2056.61 2007.37 1785.08 1475.00 1166.76
- 911.84  727.84  611.28  548.57  521.62  511.52  501.89  483.31
- 456.31  426.38  397.38  370.34  345.33  323.10  304.66  290.39
- 279.89  272.45  267.36  263.97  261.92  261.06  261.50  263.66
- 268.21  275.82  286.92  301.14  316.98  331.68  342.00  345.45
- 341.65  332.74  322.74  314.30  307.57  301.03  293.07  283.66
- 274.25  266.23  260.23  256.30  254.15  253.25  253.04  252.90
- 252.31  251.13  249.60  248.08  246.82  245.90  245.34  245.10
- 245.16  245.51  246.17  247.11  248.31  249.62  250.89  251.91
- 252.60  253.10  253.76  255.01  257.18  260.94  267.40  278.39
- 296.81  325.67  367.12  420.20  479.37  533.92  569.73  574.94
- 549.99  510.13  472.39  445.09  427.70  414.43  398.30  376.22
- 351.15  328.25  310.91  300.37  296.58  298.65  305.13  314.29
- 324.67  336.08  350.97  373.23  404.89  443.21  480.16  503.92
- 503.26  475.79  431.82  385.24  344.83  313.57  291.28  276.35
- 266.90  261.16  257.82  255.78  254.50  253.66  253.10  252.74
- 252.56  252.53  252.66  252.95  253.36  254.01  254.89  256.00
- 257.44  259.33  261.90  265.56  270.85  278.66  290.15  306.81
- 330.55  363.87  409.74  470.60  546.98  634.97  723.04  790.46
- 812.57  776.20  695.37  601.20  518.85  460.13  427.12  416.39
- 420.77  430.59  435.32  426.97  405.28  377.54  351.88  333.24
- 324.08  325.84  339.16  363.39  395.49  429.22  455.58  464.83
- 451.88  421.87  386.17  353.75  328.45  311.00  300.78  297.01
- 299.64  309.83  330.34  365.50  419.68  494.47  585.44  679.44
- 755.36  788.26  762.82  689.09  596.09  508.66  438.64  388.80
- 358.05  344.77  348.52  370.38  412.11  473.82  550.81  631.55
- 697.47  726.57  704.67  639.48  555.92  476.17  410.84  362.04
- 328.06  305.88  292.55  285.67  283.68  285.82  291.75  301.04
- 312.39  323.58  331.38  332.58  326.06  314.27  301.22  289.58
- 280.56  274.43  270.98  270.57  273.30  279.62  289.92  303.92
- 320.20  335.86  346.77  348.89  340.87  326.00  309.45  294.77
- 283.29  275.04  269.56  266.21  264.42  263.70  263.69  264.17
- 265.04  266.27  267.93  270.06  272.88  276.71  282.14  290.13
- 302.26  320.79  348.72  389.67  447.32  524.24  619.80  727.93
- 836.78  929.34  982.65  973.55  897.94  781.27  658.90  553.73
- 474.20  420.88  391.81  384.57  396.48  423.53  459.49  495.28
- 519.59  521.93  499.07  459.03  414.44  374.27  342.07  318.12
- 301.28  290.00  282.82  278.50  276.01  274.73  274.33  274.69
- 275.93  278.44  282.90  290.65  303.64  324.40  355.25  397.06
- 447.65  500.54  545.24  568.86  562.01  526.80  477.10  427.64
- 386.98  358.26  342.10  338.37  346.45  364.83  390.29  417.57
- 439.47  448.29  439.41  415.49  384.93  355.44  330.93  312.29
- 299.07  290.33  285.14  282.71  282.50  284.43  288.82  296.52
- 308.88  327.49  354.05  389.44  432.90  481.04  527.63  565.00
- 585.21  581.28  551.91  505.61  455.70  412.05  379.01  357.40
- 346.50  344.99  351.31  363.82  381.27  403.35  431.63  470.05
- 522.72  589.88  664.81  733.72  778.18  781.05  738.09  663.95
- 581.51  507.45  449.30  408.77  385.54  378.84  387.95  411.31
- 445.80  486.15  525.04  554.11  566.92  563.72  553.21  546.30
- 548.57  558.11  567.27  566.02  546.65  509.51  463.14  417.33
- 377.83  346.42  322.63  305.27  292.98  284.48  278.75  274.87
- 272.18  270.25  268.79  267.68  266.83  266.23  265.86  265.76
- 265.97  266.60  267.75  269.54  272.06  275.25  278.91  282.63
- 285.83  288.09  289.11  289.33  289.77  291.70  296.46  305.67
- 321.43  346.26  382.57  431.60  492.06  559.17  624.15  675.39
- 700.84  694.19  660.44  613.68  567.48  529.39  501.72  483.68
- 472.63  464.83  457.15  449.17  443.60  444.01  452.18  467.42
- 486.75  505.25  516.97  517.03  504.36  481.57  452.59  421.11
- 390.74  364.23  343.03  327.39  316.97  311.42  310.63  315.05
- 325.78  344.57  373.46  414.08  466.53  528.32  593.64  653.63
- 697.48  715.43  704.10  670.51  628.85  592.18  567.68  556.81
- 557.46  565.59  576.86  586.98  591.26  584.84  564.14  529.84
- 487.52  444.38  405.63  373.61  348.52  329.68  316.11  306.88
- 301.26  298.73  299.09  302.54  309.84  322.22  341.41  369.21
- 406.85  454.43  509.51  567.23  620.25  659.72  677.47  669.69
- 640.80  602.11  566.05  541.33  531.98  538.08  556.78  582.98
- 610.02  629.98  635.45  621.99  591.10  550.02  507.77  470.91
- 442.62  423.64  413.59  411.95  418.57  434.09  459.87  497.26
- 546.13  603.75  664.25  719.04  758.09  772.16  756.72  714.89
- 656.26  591.65  529.25  473.46  426.17  387.64  357.19  333.90
- 316.56  304.05  295.36  289.65  286.30  284.94  285.39  287.64
- 291.76  297.77  305.64  315.20  326.21  338.48  351.94  366.95
- 384.25  405.00  429.98  458.61  488.64  516.09  536.08  543.76
- 536.11  513.70  480.96  444.01  408.00  376.02  349.13  327.34
- 310.03  296.51  286.09  278.15  272.19  267.74  264.43  261.95
- 260.06  258.58  257.37  256.42  255.65  255.03  254.56  254.22
- 253.99  253.87  253.82  253.83  253.86  253.90  253.93  253.94
- 253.96  254.00  254.12  254.32  254.62  255.04  255.59  256.30
- 257.21  258.37  259.82  261.81  264.50  268.21  273.41  280.74
- 291.03  305.30  324.59  349.89  381.82  420.29  464.44  512.23
- 560.68  605.94  643.67  669.95  682.31  680.83  667.58  645.34
- 616.10  581.17  541.95  500.63  460.00  422.41  389.49  361.77
- 339.12  321.01  306.74  295.66  287.16  280.73  275.97  272.52
- 270.14  268.61  267.76  267.48  267.69  268.31  269.29  270.59
- 272.17  274.05  276.29  279.07  282.76  287.89  295.24  305.75
- 320.49  340.47  366.57  399.24  438.24  482.47  529.71  576.77
- 619.64  653.82  675.07  680.24  668.49  641.91  605.25  564.29
- 524.23  488.61  459.29  436.94  421.38  412.20  408.83  410.81
- 417.72  429.21  444.94  464.40  486.70  510.44  533.44  553.19
- 566.82  571.72  566.22  550.15  525.21  494.46  461.37  428.87
- 398.93  372.52  349.84  330.76  314.86  301.73  290.96  282.21
- 275.19  269.64  265.31  261.99  259.47  257.58  256.19  255.24
- 254.65  254.39  254.43  254.80  255.46  256.39  257.54  258.85
- 260.24  261.62  262.89  263.99  264.88  265.59  266.24  267.00
- 268.09  269.71  271.99  274.93  278.44  282.32  286.26  289.91
- 292.88  294.80  295.37  294.44  292.01  288.44  284.11  279.50
- 275.05  271.10  267.86  265.48  264.04  263.59  264.14  265.72
- 268.29  271.79  276.09  280.97  286.15  291.24  295.90  299.67
- 302.17  303.07  302.23  299.67  295.65  290.58  284.97  279.25
- 273.78  268.77  264.32  260.46  257.15  254.35  251.98  250.01
- 248.37  247.03  245.95  245.10  244.45  243.96  243.62  243.38
- 243.24  243.15  243.12  243.12  243.15  243.21  243.29  243.41
- 243.54  243.76  244.05  244.43  244.93  245.56  246.38  247.43
- 248.79  250.52  252.74  255.58  259.17  263.66  269.22  276.00
- 284.12  293.62  304.57  316.84  330.22  344.38  358.86  373.11
- 386.50  398.37  408.09  415.16  419.24  420.25  418.38  414.14
- 408.33  401.91  395.84  390.98  387.95  387.15  388.69  392.50
- 398.30  405.74  414.38  423.81  433.58  443.38  453.03  462.39
- 471.55  480.71  490.20  500.37  511.43  523.40  536.07  548.95
- 561.34  572.40  581.25  587.12  589.35  587.55  581.56  571.49
- 557.68  540.63  521.01  499.66  477.42  455.19  433.72  413.66
- 395.43  379.29  365.34  353.53  343.76  335.83  329.52  324.58
- 320.76  317.81  315.49  313.59  311.89  310.22  308.46  306.54
- 304.42  302.16  299.83  297.58  295.57  293.95  292.86  292.38
- 292.59  293.48  294.97  296.97  299.32  301.86  304.39  306.70
- 308.59  309.87  310.39  310.03  308.71  306.46  303.33  299.48
- 295.08  290.35  285.51  280.73  276.18  271.95  268.11  264.68
- 261.68  259.09  256.88  255.04  253.55  252.39  251.56  251.07
- 250.94  251.19  251.86  252.99  254.61  256.77  259.51  262.85
- 266.83  271.43  276.64  282.43  288.72  295.42  302.39  309.46
- 316.45  323.16  329.36  334.82  339.33  342.68  344.73  345.35
- 344.49  342.17  338.50  333.65  327.85  321.39  314.52  307.54
- 300.65  294.04  287.84  282.13  276.94  272.28  268.12  264.43
- 261.15  258.23  255.64  253.32  251.25  249.39  247.72  246.22
- 244.89  243.70  242.66  241.74  240.95  240.27  239.68  239.19
- 238.78  238.43  238.15  237.92  237.73  237.58  237.49  237.44
- 237.41  237.40  237.42  237.46  237.52  237.61  237.70  237.84
- 238.01  238.22  238.46  238.75  239.09  239.48  239.93  240.44
- 241.04  241.71  242.48  243.35  244.33  245.44  246.68  248.06
- 249.61  251.33  253.25  255.37  257.74  260.35  263.25  266.46
- 270.00  273.91  278.22  282.96  288.15  293.83  300.02  306.74
- 313.98  321.76  330.06  338.85  348.10  224.83
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- 159547777 159482242 159416960 159547522 159613057 159482497 159547778 159613313
- 159548032 159481987 159613058 159548033 159416962 159416707 159678592 159482498
- 159482243 159547523 159613314 159678593 159678848 159548034 159547779 159678849
- 159613569 159678594 159613059 159417217 159416452 159482499 159678850 159482753
- 159481988 159613570 159613315 159679104 159548288 159744129 159482244 159548035
- 159679105 159548289 159547524 159744385 159482754 159678595 159547780 159744130
- 159679106 159678851 159548290 159613571 159613825 159613060 159744386 159416964
- 159482500 159613316 159417219 159809664 159744641 159482755 159613826 159809665
- 159548036 159481989 159679360 159744131 159809920 159679107 159417472 159548291
- 159416709 159679361 159678596 159809921 159482245 159744642 159744387 159547525
- 159809666 159483009 159678852 159613572 159548544 159547781 159679362 159809922
- 159613827 159548545 159417474 159810176 159613061 159483010 159482756 159810177
- 159482501 159744643 159613317 159744897 159744132 159809667 159548546 159679108
- 159548292 159614081 159875201 159548037 159744388 159679363 159810178 159809923
- 159875457 159678597 159744898 159416454 159483011 159614082 159481990 159875202
- 159613828 159679616 159678853 159613573 159548547 159482246 159679617 159875458
- 159547526 159810432 159744644 159810179 159417221 159810433 159809668 159547782
- 159482757 159875713 159744899 159679618 159614083 159679364 159744133 159809924
- 159875203 159613062 159679109 159417729 159417476 159416966 159548293 159940736
- 159810434 159483265 159483012 159482502 159744389 159875714 159875459 159613318
- 159940737 159548800 159745153 159940992 159548801 159548548 159548038 159940993
- 159613829 159483266 159679619 159678598 159810180 159940738 159745154 159744900
- 159810435 159548802 159678854 159744645 159614337 159875715 159614084 159613574
- 159940994 159875969 159875204 159809669 159481991 159941248 159417731 159416711
- 159875460 159679365 159941249 159810688 159809925 159483267 159482247 159614338
- 159482758 159547527 159810689 159875970 159940739 159483013 159679872 159745155
- 159744134
-  20.474  25.907  26.063  29.063  30.620  31.895  33.325  34.553  37.078  40.461
-  41.496  41.640  42.823  46.698  46.797  47.878  49.660  50.589  51.667  52.441
-  53.271  53.305  53.612  55.068  55.101  56.040  56.118  56.254  57.960  60.242
-  60.273  60.478  61.153  63.751  64.437  66.577  66.666  67.426  67.696  68.155
-  68.243  68.332  68.361  69.985  70.514  70.931  72.066  72.084  72.271  72.792
-  72.879  74.695  74.997  75.312  76.606  77.674  78.972  79.000  79.479  79.601
-  80.286  80.370  81.331  81.657  83.127  83.999  84.516  85.134  85.657  85.978
-  86.819  87.302  87.512  88.226  88.366  88.582  88.735  89.853  90.227  90.351
-  90.365  90.529  90.611  90.898  91.822  92.150  92.177  92.597  93.794  93.849
-  94.210  94.801  96.065  96.203  97.034  97.407  97.656  98.245  98.914  99.565
-  99.928 100.391 101.190 101.766 102.711 103.076 103.601 103.770 103.855 104.767
- 104.870 105.168 105.684 105.695 106.464 107.235 107.590 108.131 108.491 108.520
- 110.252 110.510 110.564 111.027 111.660 112.566 112.596 113.368 113.418 114.250
- 114.401 115.050 116.446 116.550 116.645 117.348 117.419 118.680 119.370 120.390
- 120.554 121.175 121.272 121.550 122.261 122.303 122.682 124.173 124.922 125.127
- 125.392 125.580 125.829 125.987 126.967 127.333 127.437 127.575 127.592 128.828
- 129.116 129.188 129.294 129.437 129.934 130.364 130.400 130.568 131.662 132.097
- 132.630 133.609 135.083 135.200 135.356 136.676 137.489 138.168 138.627 139.957
- 140.362 141.075 142.231 143.532 145.047 145.222 145.925 146.114 146.641 146.758
- 146.791 146.992 147.216 148.010 148.166 149.182 151.035 151.400 155.286 155.817
- 155.829 156.220 156.309 156.802 157.153 159.039 159.662 161.528 161.616 162.023
- 163.116 164.024 165.171 166.658 167.278 168.298 173.908
-       2
-    0.00   10.00
-  155.45  180.00
+IGOR
+WAVES     TwoTheta,       Iobs,   Icalc,  Diff
+BEGIN
+      10.000      220.00      210.00       10.00
+      10.050      214.00      210.00        4.00
+      10.100      219.00      210.00        9.00
+      10.150      224.00      210.00       14.00
+      10.200      198.00      210.00      -12.00
+      10.250      229.00      210.00       19.00
+      10.300      224.00      210.00       14.00
+      10.350      216.00      210.00        6.00
+      10.400      202.00      210.00       -8.00
+      10.450      229.00      210.00       19.00
+      10.500      202.00      210.00       -8.00
+      10.550      215.00      210.00        5.00
+      10.600      215.00      210.00        5.00
+      10.650      196.00      210.00      -14.00
+      10.700      235.00      210.00       25.00
+      10.750      207.00      210.00       -3.00
+      10.800      205.00      210.00       -5.00
+      10.850      238.00      210.00       28.00
+      10.900      202.00      210.00       -8.00
+      10.950      213.00      210.00        3.00
+      11.000      226.00      210.00       16.00
+      11.050      198.00      209.84      -11.84
+      11.100      222.00      209.67       12.33
+      11.150      186.00      209.51      -23.51
+      11.200      216.00      209.34        6.66
+      11.250      218.00      209.18        8.82
+      11.300      225.00      209.01       15.99
+      11.350      200.00      208.85       -8.85
+      11.400      196.00      208.68      -12.68
+      11.450      224.00      208.51       15.49
+      11.500      199.00      208.35       -9.35
+      11.550      204.00      208.18       -4.18
+      11.600      189.00      208.02      -19.02
+      11.650      211.00      207.85        3.15
+      11.700      190.00      207.69      -17.69
+      11.750      184.00      207.52      -23.52
+      11.800      204.00      207.36       -3.36
+      11.850      204.00      207.19       -3.19
+      11.900      219.00      207.03       11.97
+      11.950      207.00      206.86        0.14
+      12.000      227.00      206.70       20.30
+      12.050      211.00      206.53        4.47
+      12.100      193.00      206.37      -13.37
+      12.150      206.00      206.20       -0.20
+      12.200      208.00      206.04        1.96
+      12.250      191.00      205.87      -14.87
+      12.300      194.00      205.70      -11.70
+      12.350      185.00      205.54      -20.54
+      12.400      200.00      205.37       -5.37
+      12.450      203.00      205.21       -2.21
+      12.500      197.00      205.05       -8.05
+      12.550      203.00      204.88       -1.88
+      12.600      200.00      204.72       -4.72
+      12.650      200.00      204.55       -4.55
+      12.700      205.00      204.39        0.61
+      12.750      208.00      204.22        3.78
+      12.800      205.00      204.06        0.94
+      12.850      201.00      203.89       -2.89
+      12.900      221.00      203.73       17.27
+      12.950      218.00      203.56       14.44
+      13.000      218.00      203.40       14.60
+      13.050      216.00      203.23       12.77
+      13.100      202.00      203.07       -1.07
+      13.150      206.00      202.90        3.10
+      13.200      197.00      202.74       -5.74
+      13.250      210.00      202.57        7.43
+      13.300      199.00      202.40       -3.40
+      13.350      219.00      202.24       16.76
+      13.400      192.00      202.07      -10.07
+      13.450      211.00      201.91        9.09
+      13.500      199.00      201.74       -2.74
+      13.550      196.00      201.58       -5.58
+      13.600      195.00      201.41       -6.41
+      13.650      203.00      201.25        1.75
+      13.700      202.00      201.08        0.92
+      13.750      200.00      200.92       -0.92
+      13.800      199.00      200.75       -1.75
+      13.850      191.00      200.59       -9.59
+      13.900      204.00      200.44        3.56
+      13.950      191.00      200.27       -9.27
+      14.000      200.00      200.11       -0.11
+      14.050      199.00      199.94       -0.94
+      14.100      197.00      199.78       -2.78
+      14.150      202.00      199.61        2.39
+      14.200      210.00      199.45       10.55
+      14.250      202.00      199.28        2.72
+      14.300      198.00      199.12       -1.12
+      14.350      191.00      198.95       -7.95
+      14.400      194.00      198.79       -4.79
+      14.450      198.00      198.62       -0.62
+      14.500      194.00      198.46       -4.46
+      14.550      193.00      198.29       -5.29
+      14.600      212.00      198.13       13.87
+      14.650      214.00      197.96       16.04
+      14.700      197.00      197.80       -0.80
+      14.750      195.00      197.63       -2.63
+      14.800      205.00      197.47        7.53
+      14.850      209.00      197.30       11.70
+      14.900      203.00      197.14        5.86
+      14.950      197.00      196.97        0.03
+      15.000      191.00      196.81       -5.81
+      15.050      192.00      196.80       -4.80
+      15.100      215.00      196.79       18.21
+      15.150      194.00      196.78       -2.78
+      15.200      189.00      196.77       -7.77
+      15.250      188.00      196.76       -8.76
+      15.300      202.00      196.75        5.25
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+      15.400      198.00      196.73        1.27
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+      15.700      197.00      196.70        0.30
+      15.750      200.00      196.69        3.31
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+      15.850      180.00      196.67      -16.67
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+      15.950      206.00      196.65        9.35
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+      16.450      203.00      196.56        6.44
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+      16.550      180.00      196.54      -16.54
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+      16.650      200.00      196.52        3.48
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+      16.750      210.00      196.51       13.49
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+      17.100      197.00      196.45        0.55
+      17.150      206.00      196.45        9.55
+      17.200      208.00      196.44       11.56
+      17.250      199.00      196.43        2.57
+      17.300      192.00      196.42       -4.42
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+      17.400      204.00      196.41        7.59
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+      17.550      177.00      196.39      -19.39
+      17.600      193.00      196.38       -3.38
+      17.650      199.00      196.37        2.63
+      17.700      201.00      196.37        4.63
+      17.750      194.00      196.36       -2.36
+      17.800      184.00      196.35      -12.35
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+      17.900      199.00      196.34        2.66
+      17.950      190.00      196.34       -6.34
+      18.000      183.00      196.33      -13.33
+      18.050      189.00      196.32       -7.32
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+      18.150      196.00      196.32       -0.32
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+     150.900      338.00      329.37        8.63
+     150.950      316.00      334.83      -18.83
+     151.000      341.00      339.34        1.66
+     151.050      384.00      342.70       41.30
+     151.100      360.00      344.74       15.26
+     151.150      367.00      345.36       21.64
+     151.200      383.00      344.50       38.50
+     151.250      366.00      342.18       23.82
+     151.300      369.00      338.51       30.49
+     151.350      363.00      333.66       29.34
+     151.400      332.00      327.87        4.13
+     151.450      325.00      321.40        3.60
+     151.500      334.00      314.54       19.46
+     151.550      373.00      307.55       65.45
+     151.600      336.00      300.66       35.34
+     151.650      313.00      294.06       18.94
+     151.700      339.00      287.86       51.14
+     151.750      325.00      282.15       42.85
+     151.800      307.00      276.96       30.04
+     151.850      277.00      272.30        4.70
+     151.900      286.00      268.13       17.87
+     151.950      305.00      264.44       40.56
+     152.000      277.00      261.16       15.84
+     152.050      262.00      258.24        3.76
+     152.100      262.00      255.64        6.36
+     152.150      241.00      253.33      -12.33
+     152.200      251.00      251.25       -0.25
+     152.250      260.00      249.39       10.61
+     152.300      245.00      247.72       -2.72
+     152.350      249.00      246.22        2.78
+     152.400      260.00      244.89       15.11
+     152.450      256.00      243.71       12.29
+     152.500      242.00      242.66       -0.66
+     152.550      258.00      241.75       16.25
+     152.600      248.00      240.96        7.04
+     152.650      235.00      240.27       -5.27
+     152.700      245.00      239.69        5.31
+     152.750      248.00      239.20        8.80
+     152.800      281.00      238.79       42.21
+     152.850      228.00      238.44      -10.44
+     152.900      230.00      238.16       -8.16
+     152.950      212.00      237.93      -25.93
+     153.000      237.00      237.74       -0.74
+     153.050      244.00      237.59        6.41
+     153.100      231.00      237.51       -6.51
+     153.150      266.00      237.45       28.55
+     153.200      231.00      237.42       -6.42
+     153.250      234.00      237.41       -3.41
+     153.300      247.00      237.43        9.57
+     153.350      264.00      237.47       26.53
+     153.400      247.00      237.53        9.47
+     153.450      261.00      237.62       23.38
+     153.500      223.00      237.72      -14.72
+     153.550      242.00      237.86        4.14
+     153.600      271.00      238.03       32.97
+     153.650      247.00      238.24        8.76
+     153.700      249.00      238.48       10.52
+     153.750      251.00      238.77       12.23
+     153.800      232.00      239.11       -7.11
+     153.850      225.00      239.50      -14.50
+     153.900      255.00      239.95       15.05
+     153.950      209.00      240.46      -31.46
+     154.000      266.00      241.06       24.94
+     154.050      255.00      241.74       13.26
+     154.100      273.00      242.50       30.50
+     154.150      250.00      243.38        6.62
+     154.200      234.00      244.36      -10.36
+     154.250      257.00      245.46       11.54
+     154.300      250.00      246.70        3.30
+     154.350      270.00      248.09       21.91
+     154.400      262.00      249.64       12.36
+     154.450      281.00      251.36       29.64
+     154.500      257.00      253.28        3.72
+     154.550      260.00      255.41        4.59
+     154.600      257.00      257.77       -0.77
+     154.650      242.00      260.39      -18.39
+     154.700      255.00      263.29       -8.29
+     154.750      250.00      266.49      -16.49
+     154.800      274.00      270.04        3.96
+     154.850      288.00      273.95       14.05
+     154.900      275.00      278.26       -3.26
+     154.950      277.00      283.00       -6.00
+     155.000      278.00      288.20      -10.20
+     155.050      264.00      293.89      -29.89
+     155.100      298.00      300.08       -2.08
+     155.150      312.00      306.80        5.20
+     155.200      282.00      314.05      -32.05
+     155.250      314.00      321.83       -7.83
+     155.300      341.00      330.14       10.86
+     155.350      314.00      338.94      -24.94
+     155.400      295.00      348.19      -53.19
+     155.450      326.00      224.84      101.16
+END
+WAVES     Phase1, tik1
+BEGIN
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+     173.822        -81
+END
+WAVES Excrg1, excl1
+BEGIN
+       10.00        -81
+       10.00        -81
+END
+WAVES Excrg2, excl2
+BEGIN
+      155.45        -81
+      155.45        -81
+END
+X Silent 1
+X DefaultFont Times
+X Display Iobs, Icalc, Diff vs TwoTheta
+X Modify mode(Iobs)=2, rgb(Iobs)=(0,0,0), rgb(Diff)=(3800,44400,4000)
+X SetAxis bottom    10.00,   155.45
+X Modify lsize(Iobs)=2
+X Modify offset(Diff)={0,   -202}
+X Modify wbRGB=(48483,64909,65535), gbRGB=(64612,65535,49415)
+X Modify mirror(left)=2, mirror(bottom)=2
+X Modify gfSize=12
+X Append excl1 vs Excrg1
+X Modify mode(excl1)=7, hbFill(excl1)=4
+X Modify rgb(excl1)=(6421,62320,64794)
+X Append excl2 vs Excrg2
+X Modify mode(excl2)=7, hbFill(excl2)=4
+X Modify rgb(excl2)=(6421,62320,64794)
+X Append tik1 vs Phase1
+X Modify mode(tik1)=1
+X TextBox /F=2/S=3/A=RT "Files: pbso4\rDate of fit: \Z09 09/06/2026/ 12:48:58.2\Z12\rPbSO4\rChi2 =    3.54"
+X Label left "\Z14Intensity"
+X Label bottom "\Z142-Theta (in degrees)"
+X TileWindows/O=1/C
+X ShowInfo
+X | Title of data set:  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+X | Date of run: 09/06/2026 / 12:48:58.2
+X Beep
+X Beep
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.rpa b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.rpa
index e6312b774..c13706af2 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.rpa
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.rpa
@@ -5187,3 +5187,555 @@ SOLV     6.45    8.45   10.02
 SCOR       2.6727
 SCOR1              5.01            4.28            3.89
 --------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 00:23:29.551                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0     1
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    1     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18752   0.25000   0.16705   1.39067   0.50000  0  0    1
+SIGM        0.00009   0.00000   0.00014   0.02278   0.00000
+ATOM S        0.06549   0.25000   0.68374   0.39355   0.50000  0  0    2
+SIGM        0.00028   0.00000   0.00037   0.04102   0.00000
+ATOM O1       0.90816   0.25000   0.59544   1.99345   0.50000  0  0    3
+SIGM        0.00019   0.00000   0.00019   0.03251   0.00000
+ATOM O2       0.19355   0.25000   0.54330   1.47806   0.50000  0  0    3
+SIGM        0.00018   0.00000   0.00023   0.03082   0.00000
+ATOM O3       0.08109   0.02727   0.80869   1.30154   1.00000  0  0    3
+SIGM        0.00011   0.00015   0.00014   0.02257   0.00000
+CELL    8.47950   5.39725   6.95897  90.00000  90.00000  90.00000
+SIGM    0.00014   0.00009   0.00012   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.463869810   0.004973611
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1534   0.0030  -0.4531   0.0067   0.4194   0.0041
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.2946   0.0198   0.0226   0.0035  -0.1096   0.0454   0.0495   0.0083
+XYPA    0.0000   0.0000   0.0868   0.0020
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.08424   0.00298
+RFAR   3.061      3.669      1.939      3.581    
+RFAC   7.228      6.839      3.614      3.581        2872
+DEVA   1777.     0.6184     0.3934      1.911    
+RFBR   3.061      3.669      1.939      3.581    
+RFBC   7.228      6.839      3.614      3.581        2872
+DEVB   1777.     0.6184     0.3934      1.911    
+BRAG1    3.430    2.181     318.484     100.000    1213.030       1.000
+EXRP    1.740   1.759
+REFL   199  103.14  135.27  160.33
+REFP     9   12   16
+SOLV     6.45    8.45   10.02
+SCOR       2.6726
+SCOR1              5.01            4.28            3.89
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 00:25:28.323                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0    -3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3   -3     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18752   0.25000   0.16705   1.39060   0.50000  0  0    1
+SIGM        0.00009   0.00000   0.00014   0.02278   0.00000
+ATOM S        0.06549   0.25000   0.68374   0.39348   0.50000  0  0    2
+SIGM        0.00028   0.00000   0.00037   0.04102   0.00000
+ATOM O1       0.90816   0.25000   0.59544   1.99338   0.50000  0  0    3
+SIGM        0.00019   0.00000   0.00019   0.03251   0.00000
+ATOM O2       0.19355   0.25000   0.54330   1.47802   0.50000  0  0    3
+SIGM        0.00018   0.00000   0.00023   0.03082   0.00000
+ATOM O3       0.08109   0.02727   0.80869   1.30147   1.00000  0  0    3
+SIGM        0.00011   0.00015   0.00014   0.02257   0.00000
+CELL    8.47950   5.39726   6.95897  90.00000  90.00000  90.00000
+SIGM    0.00014   0.00009   0.00012   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.463840842   0.004973442
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1534   0.0030  -0.4531   0.0067   0.4194   0.0041
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.2946   0.0198   0.0226   0.0035  -0.1096   0.0454   0.0494   0.0083
+XYPA    0.0000   0.0000   0.0868   0.0020
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.08424   0.00298
+RFAR   3.061      3.669      1.939      3.581    
+RFAC   7.228      6.839      3.614      3.581        2872
+DEVA   1777.     0.6184     0.3934      1.911    
+RFBR   3.061      3.669      1.939      3.581    
+RFBC   7.228      6.839      3.614      3.581        2872
+DEVB   1777.     0.6184     0.3934      1.911    
+BRAG1    3.430    2.181     318.485     100.000    1213.030       1.000
+EXRP    1.708   1.792
+REFL   199  103.14  135.27  160.33
+REFP     9   12   16
+SOLV     6.45    8.45   10.02
+SCOR       2.6727
+SCOR1              5.01            4.28            3.89
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 00:26:04.931                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0    -3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3   -3     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18752   0.25000   0.16705   1.39054   0.50000  0  0    1
+SIGM        0.00009   0.00000   0.00014   0.02278   0.00000
+ATOM S        0.06549   0.25000   0.68374   0.39342   0.50000  0  0    2
+SIGM        0.00028   0.00000   0.00037   0.04102   0.00000
+ATOM O1       0.90816   0.25000   0.59544   1.99332   0.50000  0  0    3
+SIGM        0.00019   0.00000   0.00019   0.03251   0.00000
+ATOM O2       0.19355   0.25000   0.54330   1.47798   0.50000  0  0    3
+SIGM        0.00018   0.00000   0.00023   0.03082   0.00000
+ATOM O3       0.08109   0.02727   0.80869   1.30141   1.00000  0  0    3
+SIGM        0.00011   0.00015   0.00014   0.02257   0.00000
+CELL    8.47951   5.39726   6.95897  90.00000  90.00000  90.00000
+SIGM    0.00014   0.00009   0.00012   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.463814616   0.004973310
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1534   0.0030  -0.4531   0.0067   0.4194   0.0041
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.2946   0.0198   0.0226   0.0035  -0.1096   0.0454   0.0494   0.0083
+XYPA    0.0000   0.0000   0.0868   0.0020
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.08424   0.00298
+RFAR   3.061      3.669      1.939      3.581    
+RFAC   7.227      6.839      3.614      3.581        2872
+DEVA   1777.     0.6183     0.3934      1.911    
+RFBR   3.061      3.669      1.939      3.581    
+RFBC   7.227      6.839      3.614      3.581        2872
+DEVB   1777.     0.6183     0.3934      1.911    
+BRAG1    3.431    2.181     318.485     100.000    1213.030       1.000
+EXRP    1.717   1.783
+REFL   199  103.14  135.27  160.33
+REFP     9   12   16
+SOLV     6.45    8.45   10.02
+SCOR       2.6726
+SCOR1              5.01            4.28            3.89
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 10:26:01.548                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18752   0.25000   0.16705   1.39018   0.50000  0  0    1
+SIGM        0.00009   0.00000   0.00014   0.01600   0.00000
+ATOM S        0.06549   0.25000   0.68373   0.39288   0.50000  0  0    2
+SIGM        0.00027   0.00000   0.00036   0.03909   0.00000
+ATOM O1       0.90816   0.25000   0.59544   1.99310   0.50000  0  0    3
+SIGM        0.00018   0.00000   0.00019   0.02916   0.00000
+ATOM O2       0.19355   0.25000   0.54331   1.47771   0.50000  0  0    3
+SIGM        0.00018   0.00000   0.00023   0.02756   0.00000
+ATOM O3       0.08109   0.02727   0.80869   1.30046   1.00000  0  0    3
+SIGM        0.00011   0.00015   0.00014   0.01593   0.00000
+CELL    8.47951   5.39726   6.95897  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.463814974   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1534   0.0000  -0.4531   0.0000   0.4194   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.2946   0.0000   0.0226   0.0000  -0.1096   0.0000   0.0494   0.0000
+XYPA    0.0000   0.0000   0.0868   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.08424   0.00000
+RFAR   3.060      3.669      1.943      3.565    
+RFAC   7.226      6.838      3.622      3.565        2885
+DEVA   1777.     0.6156     0.3934      1.901    
+RFBR   3.060      3.669      1.943      3.565    
+RFBC   7.226      6.838      3.622      3.565        2885
+DEVB   1777.     0.6156     0.3934      1.901    
+BRAG1    3.430    2.181     318.485     100.000    1213.030       1.000
+EXRP    1.660   1.844
+REFL   199  103.14  135.27  160.33
+REFP     8    0   16
+SOLV     6.45    8.45   10.02
+SCOR       2.6735
+SCOR1              5.02            4.29            3.90
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 12:34:10.361                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18752   0.25000   0.16705   1.39017   0.50000  0  0    1
+SIGM        0.00009   0.00000   0.00014   0.01522   0.00000
+ATOM S        0.06549   0.25000   0.68373   0.39281   0.50000  0  0    2
+SIGM        0.00027   0.00000   0.00036   0.03824   0.00000
+ATOM O1       0.90816   0.25000   0.59544   1.99309   0.50000  0  0    3
+SIGM        0.00018   0.00000   0.00019   0.02899   0.00000
+ATOM O2       0.19355   0.25000   0.54331   1.47771   0.50000  0  0    3
+SIGM        0.00018   0.00000   0.00022   0.02726   0.00000
+ATOM O3       0.08109   0.02727   0.80869   1.30030   1.00000  0  0    3
+SIGM        0.00011   0.00015   0.00013   0.01511   0.00000
+CELL    8.47951   5.39726   6.95897  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.463814974   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1534   0.0000  -0.4531   0.0000   0.4194   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.2946   0.0000   0.0226   0.0000  -0.1096   0.0000   0.0494   0.0000
+XYPA    0.0000   0.0000   0.0868   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.08424   0.00000
+RFAR   3.060      3.669      1.946      3.555    
+RFAC   7.226      6.838      3.627      3.555        2893
+DEVA   1777.     0.6139     0.3934      1.896    
+RFBR   3.060      3.669      1.946      3.555    
+RFBC   7.226      6.838      3.627      3.555        2893
+DEVB   1777.     0.6139     0.3934      1.896    
+BRAG1    3.429    2.181     318.485     100.000    1213.030       1.000
+EXRP    1.754   1.745
+REFL   199  103.14  135.27  160.33
+REFP     0    0   16
+SOLV     6.45    8.45   10.02
+SCOR       2.6735
+SCOR1              5.03            4.30            3.91
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 12:42:02.939                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18752   0.25000   0.16705   1.39017   0.50000  0  0    1
+SIGM        0.00009   0.00000   0.00014   0.01522   0.00000
+ATOM S        0.06549   0.25000   0.68373   0.39275   0.50000  0  0    2
+SIGM        0.00027   0.00000   0.00036   0.03824   0.00000
+ATOM O1       0.90816   0.25000   0.59544   1.99308   0.50000  0  0    3
+SIGM        0.00018   0.00000   0.00019   0.02899   0.00000
+ATOM O2       0.19355   0.25000   0.54331   1.47771   0.50000  0  0    3
+SIGM        0.00018   0.00000   0.00022   0.02726   0.00000
+ATOM O3       0.08109   0.02727   0.80869   1.30017   1.00000  0  0    3
+SIGM        0.00011   0.00015   0.00013   0.01511   0.00000
+CELL    8.47951   5.39726   6.95897  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.463814974   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1534   0.0000  -0.4531   0.0000   0.4194   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.2946   0.0000   0.0226   0.0000  -0.1096   0.0000   0.0494   0.0000
+XYPA    0.0000   0.0000   0.0868   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.08424   0.00000
+RFAR   3.060      3.669      1.946      3.555    
+RFAC   7.226      6.838      3.627      3.555        2893
+DEVA   1777.     0.6139     0.3934      1.896    
+RFBR   3.060      3.669      1.946      3.555    
+RFBC   7.226      6.838      3.627      3.555        2893
+DEVB   1777.     0.6139     0.3934      1.896    
+BRAG1    3.429    2.181     318.485     100.000    1213.030       1.000
+EXRP    1.730   1.769
+REFL   199  103.14  135.27  160.33
+REFP     0    0   16
+SOLV     6.45    8.45   10.02
+SCOR       2.6735
+SCOR1              5.03            4.30            3.91
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 12:46:10.944                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18752   0.25000   0.16705   1.39017   0.50000  0  0    1
+SIGM        0.00009   0.00000   0.00014   0.01522   0.00000
+ATOM S        0.06549   0.25000   0.68373   0.39270   0.50000  0  0    2
+SIGM        0.00027   0.00000   0.00036   0.03824   0.00000
+ATOM O1       0.90816   0.25000   0.59544   1.99307   0.50000  0  0    3
+SIGM        0.00018   0.00000   0.00019   0.02899   0.00000
+ATOM O2       0.19355   0.25000   0.54331   1.47771   0.50000  0  0    3
+SIGM        0.00018   0.00000   0.00022   0.02726   0.00000
+ATOM O3       0.08109   0.02727   0.80869   1.30007   1.00000  0  0    3
+SIGM        0.00011   0.00015   0.00013   0.01511   0.00000
+CELL    8.47951   5.39726   6.95897  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.463814974   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1534   0.0000  -0.4531   0.0000   0.4194   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.2946   0.0000   0.0226   0.0000  -0.1096   0.0000   0.0494   0.0000
+XYPA    0.0000   0.0000   0.0868   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.08424   0.00000
+RFAR   3.060      3.669      1.946      3.555    
+RFAC   7.226      6.838      3.627      3.555        2893
+DEVA   1777.     0.6139     0.3934      1.896    
+RFBR   3.060      3.669      1.946      3.555    
+RFBC   7.226      6.838      3.627      3.555        2893
+DEVB   1777.     0.6139     0.3934      1.896    
+BRAG1    3.429    2.181     318.485     100.000    1213.030       1.000
+EXRP    1.729   1.770
+REFL   199  103.14  135.27  160.33
+REFP     0    0   16
+SOLV     6.45    8.45   10.02
+SCOR       2.6735
+SCOR1              5.03            4.30            3.91
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 12:47:30.938                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18752   0.25000   0.16705   1.39017   0.50000  0  0    1
+SIGM        0.00009   0.00000   0.00014   0.01522   0.00000
+ATOM S        0.06549   0.25000   0.68373   0.39266   0.50000  0  0    2
+SIGM        0.00027   0.00000   0.00036   0.03824   0.00000
+ATOM O1       0.90816   0.25000   0.59544   1.99307   0.50000  0  0    3
+SIGM        0.00018   0.00000   0.00019   0.02898   0.00000
+ATOM O2       0.19355   0.25000   0.54331   1.47771   0.50000  0  0    3
+SIGM        0.00018   0.00000   0.00022   0.02726   0.00000
+ATOM O3       0.08109   0.02727   0.80869   1.29999   1.00000  0  0    3
+SIGM        0.00011   0.00015   0.00013   0.01511   0.00000
+CELL    8.47951   5.39726   6.95897  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.463814974   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1534   0.0000  -0.4531   0.0000   0.4194   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.2946   0.0000   0.0226   0.0000  -0.1096   0.0000   0.0494   0.0000
+XYPA    0.0000   0.0000   0.0868   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.08424   0.00000
+RFAR   3.060      3.669      1.946      3.555    
+RFAC   7.226      6.838      3.627      3.555        2893
+DEVA   1777.     0.6139     0.3934      1.896    
+RFBR   3.060      3.669      1.946      3.555    
+RFBC   7.226      6.838      3.627      3.555        2893
+DEVB   1777.     0.6139     0.3934      1.896    
+BRAG1    3.429    2.181     318.485     100.000    1213.030       1.000
+EXRP    1.796   1.704
+REFL   199  103.14  135.27  160.33
+REFP     0    0   16
+SOLV     6.45    8.45   10.02
+SCOR       2.6735
+SCOR1              5.03            4.30            3.91
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 12:48:58.036                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                         
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18752   0.25000   0.16705   1.39017   0.50000  0  0    1
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM S        0.06549   0.25000   0.68373   0.39270   0.50000  0  0    2
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O1       0.90816   0.25000   0.59544   1.99307   0.50000  0  0    3
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O2       0.19355   0.25000   0.54331   1.47771   0.50000  0  0    3
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O3       0.08109   0.02727   0.80869   1.30007   1.00000  0  0    3
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+CELL    8.47951   5.39726   6.95897  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.463814974   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1534   0.0000  -0.4531   0.0000   0.4194   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.2946   0.0000   0.0226   0.0000  -0.1096   0.0000   0.0494   0.0000
+XYPA    0.0000   0.0000   0.0868   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.08424   0.00000
+RFAR   3.060      3.669      1.951      3.535    
+RFAC   7.226      6.838      3.637      3.535        2909
+DEVA   1777.     0.6106     0.3934      1.885    
+RFBR   3.060      3.669      1.951      3.535    
+RFBC   7.226      6.838      3.637      3.535        2909
+DEVB   1777.     0.6106     0.3934      1.885    
+BRAG1    3.429    2.181     318.485     100.000    1213.030       1.000
+--------------------------------------------------------------------------------
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.sum b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.sum
index 2bbf7d91a..3f37e0135 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.sum
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.sum
@@ -1,17 +1,17 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 06/06/2026  Time: 20:44:32.647                              
+    Date: 09/06/2026  Time: 12:48:58.036                              
 
  => PCR file code: pbso4
- => DAT file code: pbso4.dat            -> Relative contribution: 1.0000                                                            
+ => DAT file code: pbso4                -> Relative contribution: 1.0000                                                            
  => Title: PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
 
  ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
@@ -30,16 +30,16 @@
  =>-------> Pattern#  1
  => Crystal Structure Refinement for phase: 1
  => The density (volumic mass) of phase 1 is:    6.325 g/cm3
- => Scor: 2.6727
+ => Scor: 2.6735
 
  ==> RESULTS OF REFINEMENT:
 
 
- => No. of fitted parameters:   37
+ => No. of fitted parameters:    0
 
 
 ------------------------------------------------------------------------------
- => Phase No.  1  PbSO4                       VARY xyz b P n m a             
+ => Phase No.  1 PbSO4                                   P n m a             
 ------------------------------------------------------------------------------
 
  =>  No. of reflections for pattern#:   1:   217  
@@ -48,36 +48,36 @@
  ==> ATOM PARAMETERS:
 
   Name      x     sx       y     sy       z      sz      B   sB   occ. socc.  Mult
- Pb      0.18752(   8)  0.25000(   0)  0.16705(  14)  1.391( 22)  0.500(  0)    4
- S       0.06549(  27)  0.25000(   0)  0.68374(  36)  0.394( 41)  0.500(  0)    4
- O1      0.90816(  18)  0.25000(   0)  0.59544(  19)  1.994( 32)  0.500(  0)    4
- O2      0.19355(  18)  0.25000(   0)  0.54330(  22)  1.478( 30)  0.500(  0)    4
- O3      0.08109(  10)  0.02727(  15)  0.80869(  14)  1.302( 22)  1.000(  0)    8
+ Pb      0.18752(   0)  0.25000(   0)  0.16705(   0)  1.390(  0)  0.500(  0)    4
+ S       0.06549(   0)  0.25000(   0)  0.68373(   0)  0.393(  0)  0.500(  0)    4
+ O1      0.90816(   0)  0.25000(   0)  0.59544(   0)  1.993(  0)  0.500(  0)    4
+ O2      0.19355(   0)  0.25000(   0)  0.54331(   0)  1.478(  0)  0.500(  0)    4
+ O3      0.08109(   0)  0.02727(   0)  0.80869(   0)  1.300(  0)  1.000(  0)    8
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
  => Cell parameters      :
-                              8.47950   0.00014
-                              5.39725   0.00009
-                              6.95897   0.00012
+                              8.47951   0.00000
+                              5.39726   0.00000
+                              6.95897   0.00000
                              90.00000   0.00000
                              90.00000   0.00000
                              90.00000   0.00000
  
- => overall scale factor :      1.463901639     0.004973848
+ => overall scale factor :   1.463815      0.000000    
  => Eta(p-v) or m(p-vii) :    0.00000   0.00000
  => Overall tem. factor  :    0.00000   0.00000
- => Halfwidth parameters :    0.15345   0.00299
-                             -0.45316   0.00667
-                              0.41943   0.00414
+ => Halfwidth parameters :    0.15340   0.00000
+                             -0.45310   0.00000
+                              0.41941   0.00000
  => Preferred orientation:    0.00000   0.00000
                               0.00000   0.00000
- => Asymmetry parameters :    0.29463   0.01981
-                              0.02257   0.00351
-                             -0.10960   0.04539
-                              0.04952   0.00833
+ => Asymmetry parameters :    0.29465   0.00000
+                              0.02261   0.00000
+                             -0.10961   0.00000
+                              0.04941   0.00000
  => X and y parameters   :    0.00000   0.00000
-                              0.08682   0.00204
+                              0.08682   0.00000
  => Strain parameters    :    0.00000   0.00000
                               0.00000   0.00000
                               0.00000   0.00000
@@ -85,161 +85,53 @@
                               0.00000   0.00000
 
  => Add. shape parameters: 
-                              0.00000   0.00000
-                              0.00000   0.00000
+                              0.00000       0.00000    
+                              0.00000       0.00000    
 
 
 
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:    -0.0842    0.0030
- => Background Parameters (linear interpolation)  ==>
-                                 209.991        3.53043    
-                                 196.757        2.54953    
-                                 195.720        1.63419    
-                                 190.750        1.12228    
-                                 208.271        1.09809    
-                                 202.090       0.588755    
-                                 245.483        1.12146    
-                                 224.835        1.70682    
+ => Zero-point:    -0.0842    0.0000
  => Cos(2theta)-shift parameter :   0.0000  0.0000
  => Sin(2theta)-shift parameter :   0.0000  0.0000
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
   => Cycle:  1 => MaxCycle:500
- => N-P+C:  2872
+ => N-P+C:  2909
  =>  R-factors (not corrected for background) for Pattern:  1
- => Rp:  3.06     Rwp:  3.67     Rexp:    1.94 Chi2:  3.58      L.S. refinement
+ => Rp:  3.06     Rwp:  3.67     Rexp:    1.95 Chi2:  3.54      L.S. refinement
  => Conventional Rietveld R-factors for Pattern:  1
- => Rp:  7.23     Rwp:  6.84     Rexp:    3.61 Chi2:  3.58    
- => Deviance:  0.178E+04     Dev*  :  0.6185    
- => DW-Stat.:    0.3933     DW-exp:     1.9105
- => N-sigma of the GoF:       97.822
+ => Rp:  7.23     Rwp:  6.84     Rexp:    3.64 Chi2:  3.54    
+ => Deviance:  0.178E+04     Dev*  :  0.6106    
+ => DW-Stat.:    0.3934     DW-exp:     1.8848
+ => N-sigma of the GoF:       96.693
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => N-P+C:  2872
+ => N-P+C:  2909
  =>  R-factors (not corrected for background) for Pattern:  1
- => Rp:  3.06     Rwp:  3.67     Rexp:    1.94 Chi2:  3.58      L.S. refinement
+ => Rp:  3.06     Rwp:  3.67     Rexp:    1.95 Chi2:  3.54      L.S. refinement
  => Conventional Rietveld R-factors for Pattern:  1
- => Rp:  7.23     Rwp:  6.84     Rexp:    3.61 Chi2:  3.58    
- => Deviance:  0.178E+04     Dev*  :  0.6185    
- => DW-Stat.:    0.3933     DW-exp:     1.9105
- => N-sigma of the GoF:       97.822
+ => Rp:  7.23     Rwp:  6.84     Rexp:    3.64 Chi2:  3.54    
+ => Deviance:  0.178E+04     Dev*  :  0.6106    
+ => DW-Stat.:    0.3934     DW-exp:     1.8848
+ => N-sigma of the GoF:       96.693
 
- => Global user-weigthed Chi2 (Bragg contrib.):   3.58    
+ => Global user-weigthed Chi2 (Bragg contrib.):   3.54    
 
      -----------------------------------------------------
      BRAGG R-Factors and weight fractions for Pattern #  1
      -----------------------------------------------------
 
- => Phase:  1      PbSO4                       VARY xyz b          BKG blue
- => Bragg R-factor:   3.43       Vol:  318.484( 0.009)  Fract(%):  100.00( 0.48)
+ => Phase:  1     PbSO4
+ => Bragg R-factor:   3.43       Vol:  318.485( 0.000)  Fract(%):  100.00( 0.00)
  => Rf-factor=  2.18             ATZ:        1213.030   Brindley:  1.0000
 
-
-       ----------------------------------------------------
-       -    ANALYSIS OF THE REFINEMENT FOR PATTERN #  1   -
-       ----------------------------------------------------
-
-
- => GLOBAL INDICATORS:
-
-    The first and last reflections appears at:
-    2theta(degrees)/T.O.F(microsecs)/Energy(KeV) =>         20.474       155.286
-    s (angstroms-1) =>     0.1859    1.0218
-    D (angstroms  ) =>     5.3793    0.9787
-    sin(theta/lamb) =>     0.0929    0.5109
-    Q (angstroms-1) =>     2.3360   12.8402
-
-    The average FWHM is:   0.5129  Fwhm(av)/step =  10.2581
-
- => Sum(Yiobs-Yical):    -1308.33    1606.14     850.26      67.91 <- Four regions
-            Total ->      1215.97
-
-  Expected Rp (background uncorrected):     1.71 Observed->     3.06
-  Expected cRp(background   corrected):     4.05 Observed->     7.23
-  -> Ratio Rp/Exp=cRp/cExp:     1.79
-  Weighted Average Bragg R-factor:     3.43
-  Weighted Average      RF-factor:     2.18
-  Reduced Chi-square :     3.58
-
- => Total number of "independent" reflections:    199
-    Effective number (account for resolution) of reflections: 
-                      at level p=1.00  : 103.1
-                      at level p=0.50  : 135.3
-                      at level p=0.25  : 160.3
-
-    A reflection contributes as x/(x+nearest), where "x"  
-    is the fraction of the total area of the current phase and 
-   "nearest" is the number of adjacent reflections verifying the formula:
-
-    Postn-p*FWHM <= Postn(adjacent) <= Postn+p*FWHM 
-
-   "nearest" is weighted by the corresponding "x(s)" 
-
- =>             Number of global  refined parameters:      9
-                Number of profile refined parameters:     12
-    Number of intensity-affecting refined parameters:     16
-      (Preferred orientation belongs to this class)   
-
- => (Effective Number of reflections)/(Number of intensity parameters)= refni
-      Ratio ( Optimistic view,p=0.25):   10.0
-      Ratio (Pessimistic view,p=1.00):    6.4
-      Ratio (   Eclectic view,p=0.50):    8.5
-
- => PHASE DEPENDENT INDICATORS:
-
- => Positions and FWHM of the sharpest reflection
-
-     Phase  2Theta/TOF  FWHM     Q       DQ      Delta   Dd/d(%)
-
-       1     108.49   0.3791   5.3337  0.01271  0.00871  0.238
-
-   Q ,DQ(FWHM in Q-space) and Delta are given in 1/angstroms
- Delta is the expected step between consecutive reflections at Q
-
- Phase    %Cont  Nintdp  Nprofp   Nref      Enref(Effective)
-                                         R:p=1  R:p=1/2  R:p=1/4
-     1  100.00      16      12     199  103.14  135.27  160.33
-                                          6.45    8.45   10.02
-  Where:
-  %Cont: percentage of the total integrated intensity (100x)
- Nintdp: Number of intensity-affecting refined parameters
- Nprofp: Number of profile refined parameters
-   Nref: Number "independent" contributing reflections
-  Enref: Effective Number of reflections for each p-value
-R:p=1/n: Ratio Enref(Effective)/Nintdp <- "Solvability Index" 
-
-
- => ANALYSIS OF STANDARD DEVIATIONS
-
-    Phase:  1 Degrees of freedom for p=1, 1/2, 1/4:            87.14          119.27          144.33
-              Chi2 based on integrated intensities:            89.86           65.65           54.25
-              Calculated with Scott'S FORMULA     :    85.89   63.02   52.25
-
- => Standard deviations concern the PRECISION of parameters and
-    represent ACCURACY only if there is no systematic errors
-    A better estimate of the accuracy of structural parameters
-    is obtained multiplying sigmas by the parameter SCOR
- -> SCOR =   2.6727 { Berar'S FORMULA}
- -> SCOR =   3.2028 {Pawley'S FORMULA}
- -> Application of modified Scott'S FORMULA
-    SCOR(p=1,1/2,1/4) =             5.01            4.28            3.89
-    SCOR(expected Si) =       4.8970      4.1948      3.8196
-   Warning! Do not take into account Scott'S SCOR
-            These indicators are under test....
-
- => ANALYSIS OF CORRELATED PARAMETERS 
-
-  -> The number of correlated parameters is :   0
-
- => Your refinement seems to be rather good!
-
  
-              CPU Time:     0.344 seconds
+              CPU Time:     0.359 seconds
                             0.006 minutes
 
- => Run finished at:     Date: 06/06/2026  Time: 20:44:32.993                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:48:58.398                              
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.sym b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.sym
index 7256d8108..bea99494c 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.sym
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4.sym
@@ -71,8 +71,8 @@
 
   -> Information on Atom: Pb     at position:    0.18752   0.25000   0.16705  Multiplicity:   4
      List of symmetry operators and symmetry elements of the site point group:
-     Operator  2:  x,-y+1/2,z                    m x,1/4,z 
-     Codes for atom coordinates  (Automatic Constraints):      171.00        0.00      181.00
+     Operator  2:  x,-y+1/2,z                    m x,1/4,z                                         
+     Codes for atom coordinates  (Automatic Constraints):        0.00        0.00        0.00
      Codes for anisotropic betas (Automatic Constraints):        0.00        0.00        0.00        0.00        0.00        0.00
 
      --> Complete orbit of the atom: Pb    
@@ -82,23 +82,23 @@
          Pb(  3)     0.81248  0.75000  0.83295    -x,y+1/2,-z
          Pb(  4)     0.31248  0.75000  0.66705    -x+1/2,-y,z+1/2
 
-  -> Information on Atom: S      at position:    0.06549   0.25000   0.68374  Multiplicity:   4
+  -> Information on Atom: S      at position:    0.06549   0.25000   0.68373  Multiplicity:   4
      List of symmetry operators and symmetry elements of the site point group:
-     Operator  2:  x,-y+1/2,z                    m x,1/4,z 
-     Codes for atom coordinates  (Automatic Constraints):      191.00        0.00      201.00
+     Operator  2:  x,-y+1/2,z                    m x,1/4,z                                         
+     Codes for atom coordinates  (Automatic Constraints):        0.00        0.00        0.00
      Codes for anisotropic betas (Automatic Constraints):        0.00        0.00        0.00        0.00        0.00        0.00
 
      --> Complete orbit of the atom: S     
 
-         S(  1)      0.06549  0.25000  0.68374    x,y,z
-         S(  2)      0.56549  0.25000  0.81626    x+1/2,-y+1/2,-z+1/2
-         S(  3)      0.93451  0.75000  0.31626    -x,y+1/2,-z
-         S(  4)      0.43451  0.75000  0.18374    -x+1/2,-y,z+1/2
+         S(  1)      0.06549  0.25000  0.68373    x,y,z
+         S(  2)      0.56549  0.25000  0.81627    x+1/2,-y+1/2,-z+1/2
+         S(  3)      0.93451  0.75000  0.31627    -x,y+1/2,-z
+         S(  4)      0.43451  0.75000  0.18373    -x+1/2,-y,z+1/2
 
   -> Information on Atom: O1     at position:    0.90816   0.25000   0.59544  Multiplicity:   4
      List of symmetry operators and symmetry elements of the site point group:
-     Operator  2:  x,-y+1/2,z                    m x,1/4,z 
-     Codes for atom coordinates  (Automatic Constraints):      211.00        0.00      221.00
+     Operator  2:  x,-y+1/2,z                    m x,1/4,z                                         
+     Codes for atom coordinates  (Automatic Constraints):        0.00        0.00        0.00
      Codes for anisotropic betas (Automatic Constraints):        0.00        0.00        0.00        0.00        0.00        0.00
 
      --> Complete orbit of the atom: O1    
@@ -108,18 +108,18 @@
          O1(  3)     0.09184  0.75000  0.40456    -x,y+1/2,-z
          O1(  4)     0.59184  0.75000  0.09544    -x+1/2,-y,z+1/2
 
-  -> Information on Atom: O2     at position:    0.19355   0.25000   0.54330  Multiplicity:   4
+  -> Information on Atom: O2     at position:    0.19355   0.25000   0.54331  Multiplicity:   4
      List of symmetry operators and symmetry elements of the site point group:
-     Operator  2:  x,-y+1/2,z                    m x,1/4,z 
-     Codes for atom coordinates  (Automatic Constraints):      231.00        0.00      241.00
+     Operator  2:  x,-y+1/2,z                    m x,1/4,z                                         
+     Codes for atom coordinates  (Automatic Constraints):        0.00        0.00        0.00
      Codes for anisotropic betas (Automatic Constraints):        0.00        0.00        0.00        0.00        0.00        0.00
 
      --> Complete orbit of the atom: O2    
 
-         O2(  1)     0.19355  0.25000  0.54330    x,y,z
-         O2(  2)     0.69355  0.25000  0.95670    x+1/2,-y+1/2,-z+1/2
-         O2(  3)     0.80645  0.75000  0.45670    -x,y+1/2,-z
-         O2(  4)     0.30645  0.75000  0.04330    -x+1/2,-y,z+1/2
+         O2(  1)     0.19355  0.25000  0.54331    x,y,z
+         O2(  2)     0.69355  0.25000  0.95669    x+1/2,-y+1/2,-z+1/2
+         O2(  3)     0.80645  0.75000  0.45669    -x,y+1/2,-z
+         O2(  4)     0.30645  0.75000  0.04331    -x+1/2,-y,z+1/2
 
   -> Information on Atom: O3     at position:    0.08109   0.02727   0.80869  Multiplicity:   8
      The above atom is in a general position (no constraints in atom positions)
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso41.fst b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso41.fst
index 7398cfadb..47efcbe72 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso41.fst
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso41.fst
@@ -1,12 +1,11 @@
 !   FILE for FullProf Studio: generated automatically by FullProf 
-!Title:  PbSO4                       VARY xyz b          BKG blue                                                                                                           
+!Title: PbSO4                                                                                                                                                               
 SPACEG P n m a             
-CELL     8.479504    5.397253    6.958969  90.0000  90.0000  90.0000  
+CELL     8.479506    5.397256    6.958973  90.0000  90.0000  90.0000  
 box -0.25 1.25 -0.15 1.15 -0.15 1.15                                           
-BKG  0.00 0.00 1.00 1.00
 ATOM Pb      Pb       0.18752   0.25000   0.16705  color  0.00 1.00 1.00 1.00
-ATOM S       S        0.06549   0.25000   0.68374  radius 0.5  color  0.00 1.00 0.00 1.00
+ATOM S       S        0.06549   0.25000   0.68373  radius 0.5  color  0.00 1.00 0.00 1.00
 ATOM O1      O        0.90816   0.25000   0.59544  
-ATOM O2      O        0.19355   0.25000   0.54330  
+ATOM O2      O        0.19355   0.25000   0.54331  
 ATOM O3      O        0.08109   0.02727   0.80869  
 conn S O 0 2.2                                                                 
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso41.sub b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso41.sub
index ef3f20831..9fe197571 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso41.sub
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso41.sub
@@ -1,4 +1,4 @@
-   10.0842  0.050000  155.5342   ! Phase No:   1  PbSO4                       V
+   10.0842  0.050000  155.5342   ! Phase No:   1 PbSO4                         
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
@@ -48,20 +48,20 @@
      562     628     677     702     700     668     609     530     440     349
      264     191     133      91      63      45      37      35      38      45
       56      70      87     106     124     141     155     164     168     165
-     154     139     119      98      77      59      44      32      23      17
+     155     139     119      98      77      59      44      32      23      17
       14      11      10       9       9       9       9       9       9       9
       10      10      11      11      12      13      14      15      16      18
       20      23      26      32      39      51      68      95     133     186
      257     347     454     574     699     822     930    1012    1060    1064
-    1022     937     819     682     541     410     298     207     140      93
+    1022     937     818     681     541     410     297     207     140      93
       61      41      29      22      17      15      13      13      12      12
       12      12      12      12      12      11      11      11      11      11
       11      11      11      11      11      11      11      11      11      12
       12      13      13      14      15      16      18      20      22      25
       29      34      42      54      72      99     138     194     268     361
      472     595     724     848     955    1034    1074    1068    1014     918
-     793     654     517     395     296     223     176     156     158     180
-     219     273     338     409     479     544     594     625     631     611
+     793     654     517     395     296     222     176     156     158     180
+     219     274     338     409     480     544     594     625     631     611
      566     503     428     349     274     207     151     108      76      53
       38      28      22      18      16      14      14      14      14      14
       15      15      15      16      15      15      14      13      12      11
@@ -71,30 +71,30 @@
        6       6       6       6       6       7       7       7       7       7
        8       8       8       8       9       9      10      10      11      12
       13      14      15      17      19      22      25      30      38      50
-      68      95     134     188     258     345     444     552     659     757
-     834     880     888     854     783     684     571     455     349     258
+      68      95     135     188     258     345     444     552     660     757
+     834     881     888     854     783     684     571     455     349     258
      186     133      96      74      62      60      66      79      98     122
-     150     178     205     226     241     245     238     220     193     163
+     150     178     205     226     241     245     237     219     193     163
      132     103      78      59      44      34      28      23      21      20
       20      20      21      22      24      26      30      35      43      56
-      75     103     142     194     258     334     415     498     572     630
+      75     103     142     194     258     334     416     498     572     630
      663     666     636     578     500     415     332     261     207     172
-     157     162     184     220     267     319     371     417     450     465
-     458     430     384     329     272     219     175     142     123     119
-     129     157     204     271     358     464     582     704     817     910
-     970     988     960     892     801     706     629     587     592     651
-     761     913    1090    1273    1436    1555    1610    1586    1484    1318
+     157     162     184     220     267     319     372     417     450     465
+     458     430     384     329     272     219     174     142     123     119
+     129     157     204     271     358     464     582     704     818     910
+     971     988     960     892     801     706     629     587     592     651
+     761     913    1091    1273    1436    1555    1610    1587    1484    1318
     1116     906     711     550     431     357     324     325     353     398
-     451     503     546     572     576     558     520     471     416     360
+     451     504     546     572     576     558     520     471     416     360
      306     257     213     175     142     115      95      79      69      62
       59      59      61      66      73      84     102     129     173     239
-     337     475     657     884    1146    1426    1701    1939    2110    2185
+     338     475     658     884    1146    1427    1701    1940    2110    2185
     2146    1996    1760    1476    1182     911     683     508     388     320
-     300     323     389     496     642     823    1027    1240    1443    1612
-    1726    1769    1732    1620    1445    1230    1002     782     587     427
+     300     323     389     496     643     823    1027    1240    1443    1612
+    1727    1769    1732    1620    1445    1230    1002     782     587     427
      304     213     150     108      81      64      53      47      44      42
       41      42      43      46      51      59      74      96     130     177
-     238     314     399     489     572     640     682     688     657     593
+     238     314     400     489     572     640     682     688     657     593
      506     411     318     237     170     120      83      58      42      32
       25      21      19      17      16      15      14      14      13      13
       12      12      12      11      11      11      11      11      11      11
@@ -107,13 +107,13 @@
        4       5       5       5       5       5       5       5       6       6
        6       7       8       9      11      14      17      22      27      32
       37      42      46      49      51      53      59      69      87     116
-     154     204     260     318     371     411     431     425     395     345
-     284     223     166     120      84      57      39      27      20      15
+     155     204     260     318     371     411     431     425     395     344
+     284     222     166     120      84      57      39      27      20      15
       13      11      10       9       9       9       8       8       8       8
        8       8       8       8       8       9       9      10      12      15
       19      25      34      46      61      78      96     113     127     136
      137     131     119     103      88      75      67      66      73      89
-     115     149     191     235     278     315     340     350     344     326
+     115     150     191     235     278     315     340     350     344     326
      299     267     233     197     163     133     109      94      87      88
       97     110     125     139     148     150     143     128     108      87
       67      50      36      26      19      14      11       9       7       7
@@ -122,13 +122,13 @@
       13      13      14      15      17      19      20      22      22      21
       19      16      14      11       9       7       6       5       4       4
        4       4       4       4       4       4       4       4       4       5
-       5       6       7       8      10      13      16      20      23      27
+       5       6       7       8      10      13      16      20      24      27
       30      33      34      35      36      38      42      48      58      71
       86     101     113     120     119     111      97      80      63      48
       35      26      19      15      12      10      10       9       9       9
        9      10      10      11      11      12      13      14      15      16
       17      19      22      25      29      35      44      57      79     113
-     165     240     339     460     597     737     863     958    1007    1005
+     166     240     339     460     597     737     863     958    1007    1005
      963     897     821     741     656     565     468     372     285     211
      152     107      76      55      41      32      27      23      21      19
       18      18      18      18      20      21      24      26      28      29
@@ -136,126 +136,126 @@
       13      14      17      22      30      40      54      70      88     104
      116     122     119     108      92      74      57      43      32      24
       19      16      14      14      14      14      15      17      20      24
-      31      40      52      67      83      99     113     122     126     126
-     128     138     161     205     273     364     471     581     677     738
+      31      40      52      67      83      99     113     122     126     127
+     128     138     161     206     274     364     471     582     677     738
      749     703     612     499     384     283     203     146     109      89
       82      83      89      96     101     101      96      85      72      59
       47      38      31      26      25      25      29      35      46      60
-      78      99     121     141     156     164     166     165     162     158
+      78     100     121     141     156     164     167     165     162     158
      152     143     128     109      89      70      53      40      31      24
       20      18      17      17      17      18      19      21      24      28
-      35      47      66      96     140     200     273     355     434     495
+      35      47      66      96     140     200     274     355     434     495
      525     514     464     388     305     227     162     113      78      55
       41      33      29      28      28      29      31      34      37      41
-      49      62      82     109     143     181     216     242     253     244
+      49      62      82     109     143     181     216     243     253     244
      219     184     149     119      98      87      86      91     101     110
-     117     119     115     111     110     116     131     156     188     223
+     117     119     116     111     110     116     131     156     188     224
      259     290     316     338     360     381     395     394     372     329
      273     216     166     126      99      85      83      96     122     163
-     216     275     332     376     395     381     339     281     220     165
-     121      89      67      54      47      43      42      42      43      45
+     216     275     333     376     395     381     339     281     220     165
+     121      89      67      54      46      43      42      42      43      45
       48      52      58      69      86     113     157     224     318     443
-     594     762     924    1058    1142    1162    1119    1033     934     846
+     595     762     925    1059    1142    1162    1120    1033     934     846
      777     721     666     598     513     417     324     244     180     132
      100      79      65      58      54      53      55      58      65      75
-      89     108     133     164     204     258     333     440     581     753
-     936    1101    1210    1233    1164    1027     858     688     543     442
+      89     108     133     164     204     258     334     440     582     753
+     937    1102    1210    1233    1164    1027     857     687     543     442
      389     383     415     470     528     567     567     523     445     354
      267     194     138      98      71      54      44      38      34      32
       30      30      31      33      38      47      60      78      98     119
      136     146     144     132     115      98      85      76      71      67
       63      57      49      41      33      28      23      20      19      18
       17      17      18      19      21      24      29      36      48      64
-      84     106     127     143     149     146     137     127     120     119
-     123     128     131     131     131     137     158     204     284     402
-     554     725     885     997    1023     952     806     632     466     328
+      84     106     127     143     149     146     137     127     120     120
+     123     128     131     131     131     137     158     205     284     402
+     555     726     886     997    1024     952     806     632     466     328
      224     152     104      75      58      48      42      39      38      37
-      37      39      43      50      64      87     123     174     239     312
-     380     428     440     410     348     274     203     145     102      71
+      37      39      43      50      64      87     123     174     240     312
+     381     428     440     410     348     274     203     145     102      71
       52      40      33      29      27      26      26      27      28      30
-      33      38      48      64      91     134     196     277     368     457
+      33      39      48      64      91     134     196     277     369     457
      522     543     509     433     340     252     179     125      88      65
       52      45      42      39      36      33      30      28      28      30
-      35      43      54      68      82      94      99      96      87      75
-      66      62      67      82     110     149     198     248     288     306
+      35      43      55      68      82      94      99      96      87      75
+      66      62      67      82     110     150     198     248     288     306
      295     260     215     171     137     112      94      81      71      66
       65      71      83      97     112     121     121     111      93      75
       58      46      38      34      35      40      51      68      90     115
      137     152     153     140     117      93      72      56      46      41
       40      41      43      44      43      41      39      36      35      35
       36      38      41      46      53      64      79     102     132     170
-     218     277     354     462     620     843    1125    1429    1689    1826
-    1777    1554    1244     936     681     497     380     318     291     280
+     218     277     354     462     621     844    1125    1429    1690    1826
+    1777    1554    1244     936     681     497     380     317     291     280
      271     252     225     195     166     139     114      92      73      59
       48      41      36      32      30      29      30      32      36      44
       55      69      85     100     110     113     109     100      90      82
-      75      69      61      51      42      34      28      24      21      20
+      75      69      61      51      42      34      27      24      21      20
       20      20      19      18      17      15      14      13      12      12
       12      12      13      14      15      16      17      18      19      19
       20      21      23      27      33      44      63      92     133     186
-     245     300     335     341     316     276     238     211     193     180
+     245     300     336     341     316     276     238     211     193     180
      164     142     116      93      76      66      62      64      70      79
       90     101     116     138     170     208     245     269     268     240
      196     150     109      78      56      41      31      25      22      20
       19      18      17      17      16      16      16      17      17      18
       19      20      21      23      25      29      34      42      53      70
-      94     127     173     234     310     398     486     553     575     539
-     458     364     282     223     190     179     183     193     198     189
-     168     140     114      95      86      88     101     125     157     191
-     217     227     214     184     148     115      90      73      62      59
-      61      71      92     127     181     256     347     441     516     549
-     524     450     357     270     200     150     119     105     109     131
+      94     127     173     234     310     398     486     554     576     539
+     458     364     281     223     190     179     183     193     198     189
+     168     140     114      95      86      88     101     126     158     191
+     218     227     214     184     148     115      90      73      62      59
+      61      71      92     127     181     256     347     441     517     550
+     524     450     357     269     199     150     119     105     109     131
      173     234     311     392     458     487     465     400     316     236
      171     122      88      66      53      46      44      46      52      61
       72      83      91      92      86      74      61      49      40      34
       30      30      33      39      49      63      79      95     106     108
      100      85      68      53      42      34      28      25      23      22
       22      23      23      25      26      28      31      35      40      48
-      60      79     107     148     205     282     378     486     594     687
-     740     731     655     539     416     311     231     178     149     142
+      60      79     107     148     205     282     378     486     595     687
+     741     731     655     539     416     311     231     178     149     142
      154     181     217     252     277     279     256     216     171     131
       99      75      58      47      39      35      32      31      31      31
-      32      35      39      47      60      80     111     153     204     256
-     301     325     318     283     233     183     143     114      98      94
-     102     120     146     173     195     203     195     171     140     110
+      32      35      39      47      60      80     111     153     204     257
+     301     325     318     283     233     183     142     114      98      94
+     102     120     146     173     195     204     195     171     140     110
       86      67      54      45      40      37      37      39      43      51
-      63      82     109     144     188     236     282     320     340     336
-     307     260     211     167     134     112     102     100     106     119
-     136     159     187     225     278     345     420     489     534     536
-     494     419     337     263     205     164     141     135     144     167
+      63      82     109     144     188     236     283     320     340     336
+     307     260     210     167     134     112     101     100     106     119
+     136     159     187     225     278     345     420     489     534     537
+     494     419     337     263     205     164     141     134     144     167
      202     242     281     310     323     320     309     302     305     314
      323     322     303     266     219     174     134     103      79      62
       49      41      35      31      29      27      25      24      23      23
       23      22      23      23      25      26      29      32      36      40
       43      45      46      46      47      49      54      63      79     104
-     140     189     249     317     382     433     458     452     418     371
-     325     287     259     241     230     223     215     207     201     202
-     210     225     245     263     275     275     262     240     211     179
+     140     189     250     317     382     433     459     452     418     371
+     325     287     259     241     230     223     215     207     202     202
+     210     226     245     263     275     275     263     240     211     179
      149     123     101      86      75      70      69      74      84     103
-     132     173     225     287     352     412     456     474     463     429
-     388     351     327     316     316     325     336     346     350     344
+     132     173     225     287     353     413     457     474     463     429
+     388     351     327     316     317     325     336     346     351     344
      323     289     247     204     165     133     108      89      76      66
-      61      58      59      62      69      82     101     129     167     214
-     269     327     380     420     437     430     401     362     326     301
-     292     298     317     343     370     390     396     382     351     310
+      61      58      59      62      70      82     101     129     167     214
+     269     327     380     420     438     430     401     362     326     302
+     292     298     317     343     370     390     396     382     352     310
      268     231     203     184     174     173     179     195     221     258
      307     365     425     480     519     533     518     476     417     353
      290     235     187     149     118      95      78      65      57      51
       48      46      47      49      53      59      67      77      88     100
-     114     129     146     167     192     220     251     278     298     306
+     114     129     146     167     192     221     251     278     298     306
      298     276     243     206     170     138     111      90      72      59
-      48      41      35      30      27      24      23      21      20      19
+      48      40      35      30      27      24      23      21      20      19
       18      18      17      17      17      17      17      17      17      17
       17      17      17      17      17      17      18      18      19      20
       20      22      23      25      28      32      37      44      55      69
-      88     114     145     184     228     276     324     370     407     434
-     446     445     432     409     380     345     306     265     224     187
+      88     114     146     184     228     276     325     370     408     434
+     446     445     432     409     380     345     306     265     224     186
      154     126     103      85      71      60      52      45      40      37
       35      33      32      32      32      33      34      35      37      39
-      41      44      48      53      60      71      86     106     132     164
-     203     248     295     342     385     419     440     446     434     407
+      41      44      48      53      60      71      86     106     132     165
+     204     248     295     342     385     419     441     446     434     408
      371     330     290     254     225     203     187     178     175     177
-     183     195     211     230     253     276     299     319     333     338
+     184     195     211     230     253     277     300     319     333     338
      332     316     291     261     228     195     165     139     116      97
       81      68      57      49      42      36      32      29      26      24
       23      22      21      21      21      22      22      23      25      26
@@ -267,12 +267,12 @@
       33      29      26      23      21      19      17      16      15      14
       13      13      13      12      12      12      12      12      12      12
       13      13      13      13      13      14      14      15      16      17
-      18      20      22      25      29      33      39      46      54      63
-      74      87     100     114     129     143     157     168     178     185
-     189     190     189     184     179     172     166     161     158     158
-     159     163     169     176     185     194     204     214     224     233
-     242     252     261     271     282     294     307     320     332     343
-     352     358     361     359     353     343     329     312     292     271
+      18      20      22      25      29      33      39      46      54      64
+      75      87     100     114     129     143     157     169     178     185
+     190     191     189     185     179     172     166     161     158     158
+     159     163     169     176     185     195     204     214     224     233
+     243     252     261     272     283     295     307     320     333     344
+     353     359     361     359     353     343     329     312     293     271
      249     227     205     185     167     151     137     125     115     108
      101      96      93      90      87      85      84      82      80      79
       76      74      72      70      68      66      65      65      65      66
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4_1.cfl b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4_1.cfl
index d3f916287..3e2ed2f01 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4_1.cfl
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4_1.cfl
@@ -1,16 +1,16 @@
 !
-Title  CFL-file generated from FullProf for phase:  PbSO4                       VARY xyz b          BKG blue
+Title  CFL-file generated from FullProf for phase: PbSO4
 !
-Cell    8.47950(14)  5.39725(9)  6.95897(12)  90.0000  90.0000  90.0000
+Cell    8.47951  5.39726  6.95897  90.0000  90.0000  90.0000
 !
 SpGR  P n m a
 !
 !  Atom-strings in the order: Label, Species, x, y, z, Biso, Occ [,2*Spin, charge]
-Atom Pb   PB+2   0.18752(9)    0.25000       0.16705(14)   1.39(2)       0.50000
-Atom S    S+6    0.0655(3)     0.25000       0.6837(4)     0.39(4)       0.50000
-Atom O1   O-2    0.90816(19)   0.25000       0.59544(19)   1.99(3)       0.50000
-Atom O2   O-2    0.19355(18)   0.25000       0.5433(2)     1.48(3)       0.50000
-Atom O3   O-2    0.08109(11)   0.02727(15)   0.80869(14)   1.30(2)       1.00000
+Atom Pb   PB+2   0.18752       0.25000       0.16705       1.39017       0.50000
+Atom S    S+6    0.06549       0.25000       0.68373       0.39270       0.50000
+Atom O1   O-2    0.90816       0.25000       0.59544       1.99307       0.50000
+Atom O2   O-2    0.19355       0.25000       0.54331       1.47771       0.50000
+Atom O3   O-2    0.08109       0.02727       0.80869       1.30007       1.00000
 !
 !   Bond_STR instructions 
 DISTANCE 
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4_1.dis b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4_1.dis
index 20803c0d1..c86b8800b 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4_1.dis
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4_1.dis
@@ -13,18 +13,18 @@
  => Content of the FullProf generated CFL file: 
 
          !
-         Title  CFL-file generated from FullProf for phase:  PbSO4                       VARY xyz b          BKG blue
+         Title  CFL-file generated from FullProf for phase: PbSO4
          !
-         Cell    8.47950(14)  5.39725(9)  6.95897(12)  90.0000  90.0000  90.0000
+         Cell    8.47951  5.39726  6.95897  90.0000  90.0000  90.0000
          !
          SpGR  P n m a
          !
          !  Atom-strings in the order: Label, Species, x, y, z, Biso, Occ [,2*Spin, charge]
-         Atom Pb   PB+2   0.18752(9)    0.25000       0.16705(14)   1.39(2)       0.50000
-         Atom S    S+6    0.0655(3)     0.25000       0.6837(4)     0.39(4)       0.50000
-         Atom O1   O-2    0.90816(19)   0.25000       0.59544(19)   1.99(3)       0.50000
-         Atom O2   O-2    0.19355(18)   0.25000       0.5433(2)     1.48(3)       0.50000
-         Atom O3   O-2    0.08109(11)   0.02727(15)   0.80869(14)   1.30(2)       1.00000
+         Atom Pb   PB+2   0.18752       0.25000       0.16705       1.39017       0.50000
+         Atom S    S+6    0.06549       0.25000       0.68373       0.39270       0.50000
+         Atom O1   O-2    0.90816       0.25000       0.59544       1.99307       0.50000
+         Atom O2   O-2    0.19355       0.25000       0.54331       1.47771       0.50000
+         Atom O3   O-2    0.08109       0.02727       0.80869       1.30007       1.00000
          !
          !   Bond_STR instructions
          DISTANCE
@@ -42,33 +42,33 @@
 
          a =       8.4795      b =       5.3973      c =       6.9590
      alpha =       90.000   beta =       90.000  gamma =       90.000
-                        Direct Cell Volume =     318.4841
+                        Direct Cell Volume =     318.4850
 
  => Reciprocal cell parameters:
 
-         a*=     0.117932      b*=     0.185280      c*=     0.143699
+         a*=     0.117931      b*=     0.185279      c*=     0.143699
      alpha*=       90.000   beta*=       90.000  gamma*=       90.000
                     Reciprocal Cell Volume =   0.00313987
 
  => Direct and Reciprocal Metric Tensors:
 
                    GD                                       GR
-     71.9019      0.0000      0.0000          0.013908    0.000000    0.000000
-      0.0000     29.1303      0.0000          0.000000    0.034329    0.000000
+     71.9021      0.0000      0.0000          0.013908    0.000000    0.000000
+      0.0000     29.1304      0.0000          0.000000    0.034328    0.000000
       0.0000      0.0000     48.4273          0.000000    0.000000    0.020650
 
  =>  Cartesian frame: z // c; y is in the bc-plane; x is along y ^ z = a*  
 
      Crystal_to_Orthonormal_Matrix              Orthonormal_to_Crystal Matrix
               Cr_Orth_cel                               Orth_Cr_cel  
-      8.4795      0.0000      0.0000          0.117932   -0.000000   -0.000000
-      0.0000      5.3973      0.0000          0.000000    0.185280   -0.000000
+      8.4795      0.0000      0.0000          0.117931   -0.000000   -0.000000
+      0.0000      5.3973      0.0000          0.000000    0.185279   -0.000000
       0.0000      0.0000      6.9590          0.000000    0.000000    0.143699
 
      Busing-Levy B-matrix: Hc=B.H            Inverse of the Busing-Levy B-matrix
                 BL_M                                      BL_Minv  
-    0.117932    0.000000    0.000000            8.4795     -0.0000     -0.0000
-    0.000000    0.185280   -0.000000            0.0000      5.3972      0.0000
+    0.117931    0.000000    0.000000            8.4795     -0.0000     -0.0000
+    0.000000    0.185279   -0.000000            0.0000      5.3973      0.0000
     0.000000    0.000000    0.143699            0.0000      0.0000      6.9590
 
 
@@ -123,11 +123,11 @@
 
     Atom      Chem        x/a       y/b       z/c       Biso     Occ       Mult
     ===========================================================================
-    Pb         Pb       0.1875    0.2500    0.1670    1.3900    0.5000        4  None
-    S          S        0.0655    0.2500    0.6837    0.3900    0.5000        4  None
-    O1         O        0.9082    0.2500    0.5954    1.9900    0.5000        4  None
-    O2         O        0.1935    0.2500    0.5433    1.4800    0.5000        4  None
-    O3         O        0.0811    0.0273    0.8087    1.3000    1.0000        8  None
+    Pb         Pb       0.1875    0.2500    0.1670    1.3902    0.5000        4  None
+    S          S        0.0655    0.2500    0.6837    0.3927    0.5000        4  None
+    O1         O        0.9082    0.2500    0.5954    1.9931    0.5000        4  None
+    O2         O        0.1935    0.2500    0.5433    1.4777    0.5000        4  None
+    O3         O        0.0811    0.0273    0.8087    1.3001    1.0000        8  None
 
 
     -------------------------------------------------------------------
@@ -140,20 +140,20 @@
  Orig. extr. p.equiv.           Distance      x_ext   y_ext   z_ext  (tx,ty,tz)     Sym. op.
 
 
-    1   2   4  ( Pb   )-(  S   ): 3.4179(16)   0.4345 -0.2500  0.1837  (0,0,-1)     -x+1/2,-y,z+1/2            
-    1   2   4  ( Pb   )-(  S   ): 3.4179(16)   0.4345  0.7500  0.1837  (0,1,-1)     -x+1/2,-y,z+1/2            
-    1   3   2  ( Pb   )-( O1   ): 2.6148(17)   0.4082  0.2500 -0.0954  (-1,0,0)     x+1/2,-y+1/2,-z+1/2        
-    1   3   3  ( Pb   )-( O1   ): 3.2669(9)    0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
-    1   3   3  ( Pb   )-( O1   ): 3.2669(9)    0.0918  0.7500  0.4046  (1,0,1)      -x,y+1/2,-z                
-    1   4   1  ( Pb   )-( O2   ): 2.6188(17)   0.1935  0.2500  0.5433  (0,0,0)      x,y,z                      
-    1   4   4  ( Pb   )-( O2   ): 3.0069(8)    0.3065 -0.2500  0.0433  (0,0,-1)     -x+1/2,-y,z+1/2            
-    1   4   4  ( Pb   )-( O2   ): 3.0069(8)    0.3065  0.7500  0.0433  (0,1,-1)     -x+1/2,-y,z+1/2            
-    1   5   1  ( Pb   )-( O3   ): 2.9118(13)   0.0811  0.0273 -0.1913  (0,0,-1)     x,y,z                      
-    1   5   3  ( Pb   )-( O3   ): 2.7305(11)  -0.0811  0.5273  0.1913  (0,0,1)      -x,y+1/2,-z                
-    1   5   4  ( Pb   )-( O3   ): 2.6572(11)   0.4189 -0.0273  0.3087  (0,0,-1)     -x+1/2,-y,z+1/2            
-    1   5   5  ( Pb   )-( O3   ): 2.7305(11)  -0.0811 -0.0273  0.1913  (0,0,1)      -x,-y,-z                   
-    1   5   6  ( Pb   )-( O3   ): 2.6572(11)   0.4189  0.5273  0.3087  (0,0,-1)     -x+1/2,y+1/2,z+1/2         
-    1   5   7  ( Pb   )-( O3   ): 2.9118(13)   0.0811  0.4727 -0.1913  (0,0,-1)     x,-y+1/2,z                 
+    1   2   4  ( Pb   )-(  S   ): 3.41795      0.4345 -0.2500  0.1837  (0,0,-1)     -x+1/2,-y,z+1/2            
+    1   2   4  ( Pb   )-(  S   ): 3.41795      0.4345  0.7500  0.1837  (0,1,-1)     -x+1/2,-y,z+1/2            
+    1   3   2  ( Pb   )-( O1   ): 2.61477      0.4082  0.2500 -0.0954  (-1,0,0)     x+1/2,-y+1/2,-z+1/2        
+    1   3   3  ( Pb   )-( O1   ): 3.26691      0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
+    1   3   3  ( Pb   )-( O1   ): 3.26691      0.0918  0.7500  0.4046  (1,0,1)      -x,y+1/2,-z                
+    1   4   1  ( Pb   )-( O2   ): 2.61888      0.1935  0.2500  0.5433  (0,0,0)      x,y,z                      
+    1   4   4  ( Pb   )-( O2   ): 3.00684      0.3065 -0.2500  0.0433  (0,0,-1)     -x+1/2,-y,z+1/2            
+    1   4   4  ( Pb   )-( O2   ): 3.00684      0.3065  0.7500  0.0433  (0,1,-1)     -x+1/2,-y,z+1/2            
+    1   5   1  ( Pb   )-( O3   ): 2.91182      0.0811  0.0273 -0.1913  (0,0,-1)     x,y,z                      
+    1   5   3  ( Pb   )-( O3   ): 2.73054     -0.0811  0.5273  0.1913  (0,0,1)      -x,y+1/2,-z                
+    1   5   4  ( Pb   )-( O3   ): 2.65721      0.4189 -0.0273  0.3087  (0,0,-1)     -x+1/2,-y,z+1/2            
+    1   5   5  ( Pb   )-( O3   ): 2.73054     -0.0811 -0.0273  0.1913  (0,0,1)      -x,-y,-z                   
+    1   5   6  ( Pb   )-( O3   ): 2.65721      0.4189  0.5273  0.3087  (0,0,-1)     -x+1/2,y+1/2,z+1/2         
+    1   5   7  ( Pb   )-( O3   ): 2.91182      0.0811  0.4727 -0.1913  (0,0,-1)     x,-y+1/2,z                 
 
 
     -------------------------------------------------------------------
@@ -166,15 +166,15 @@
  Orig. extr. p.equiv.           Distance      x_ext   y_ext   z_ext  (tx,ty,tz)     Sym. op.
 
 
-    2   1   4  (  S   )-( Pb   ): 3.4179(16)   0.3125 -0.2500  0.6671  (0,0,0)      -x+1/2,-y,z+1/2            
-    2   1   4  (  S   )-( Pb   ): 3.4179(16)   0.3125  0.7500  0.6671  (0,1,0)      -x+1/2,-y,z+1/2            
-    2   3   1  (  S   )-( O1   ): 1.469(3)    -0.0918  0.2500  0.5954  (-1,0,0)     x,y,z                      
-    2   3   2  (  S   )-( O1   ): 3.287(3)     0.4082  0.2500  0.9046  (-1,0,1)     x+1/2,-y+1/2,-z+1/2        
-    2   3   3  (  S   )-( O1   ): 3.3325(18)   0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
-    2   3   3  (  S   )-( O1   ): 3.3325(18)   0.0918  0.7500  0.4046  (1,0,1)      -x,y+1/2,-z                
-    2   4   1  (  S   )-( O2   ): 1.461(3)     0.1935  0.2500  0.5433  (0,0,0)      x,y,z                      
-    2   5   1  (  S   )-( O3   ): 1.4897(19)   0.0811  0.0273  0.8087  (0,0,0)      x,y,z                      
-    2   5   7  (  S   )-( O3   ): 1.4897(19)   0.0811  0.4727  0.8087  (0,0,0)      x,-y+1/2,z                 
+    2   1   4  (  S   )-( Pb   ): 3.41795      0.3125 -0.2500  0.6671  (0,0,0)      -x+1/2,-y,z+1/2            
+    2   1   4  (  S   )-( Pb   ): 3.41795      0.3125  0.7500  0.6671  (0,1,0)      -x+1/2,-y,z+1/2            
+    2   3   1  (  S   )-( O1   ): 1.46876     -0.0918  0.2500  0.5954  (-1,0,0)     x,y,z                      
+    2   3   2  (  S   )-( O1   ): 3.28703      0.4082  0.2500  0.9046  (-1,0,1)     x+1/2,-y+1/2,-z+1/2        
+    2   3   3  (  S   )-( O1   ): 3.33268      0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
+    2   3   3  (  S   )-( O1   ): 3.33268      0.0918  0.7500  0.4046  (1,0,1)      -x,y+1/2,-z                
+    2   4   1  (  S   )-( O2   ): 1.46083      0.1935  0.2500  0.5433  (0,0,0)      x,y,z                      
+    2   5   1  (  S   )-( O3   ): 1.48957      0.0811  0.0273  0.8087  (0,0,0)      x,y,z                      
+    2   5   7  (  S   )-( O3   ): 1.48957      0.0811  0.4727  0.8087  (0,0,0)      x,-y+1/2,z                 
 
 
     -------------------------------------------------------------------
@@ -187,25 +187,25 @@
  Orig. extr. p.equiv.           Distance      x_ext   y_ext   z_ext  (tx,ty,tz)     Sym. op.
 
 
-    3   1   2  ( O1   )-( Pb   ): 2.6148(17)   0.6875  0.2500  0.3329  (0,0,0)      x+1/2,-y+1/2,-z+1/2        
-    3   1   3  ( O1   )-( Pb   ): 3.2669(9)    0.8125 -0.2500  0.8329  (1,-1,1)     -x,y+1/2,-z                
-    3   1   3  ( O1   )-( Pb   ): 3.2669(9)    0.8125  0.7500  0.8329  (1,0,1)      -x,y+1/2,-z                
-    3   2   1  ( O1   )-(  S   ): 1.469(3)     1.0655  0.2500  0.6837  (1,0,0)      x,y,z                      
-    3   2   2  ( O1   )-(  S   ): 3.287(3)     0.5655  0.2500  0.8163  (0,0,1)      x+1/2,-y+1/2,-z+1/2        
-    3   2   3  ( O1   )-(  S   ): 3.3325(18)   0.9345 -0.2500  0.3163  (1,-1,1)     -x,y+1/2,-z                
-    3   2   3  ( O1   )-(  S   ): 3.3325(18)   0.9345  0.7500  0.3163  (1,0,1)      -x,y+1/2,-z                
-    3   3   3  ( O1   )-( O1   ): 3.3872(13)   1.0918 -0.2500  0.4046  (2,-1,1)     -x,y+1/2,-z                
-    3   3   3  ( O1   )-( O1   ): 3.3872(13)   1.0918  0.7500  0.4046  (2,0,1)      -x,y+1/2,-z                
-    3   4   1  ( O1   )-( O2   ): 2.447(2)     1.1935  0.2500  0.5433  (1,0,0)      x,y,z                      
-    3   4   2  ( O1   )-( O2   ): 3.104(2)     0.6935  0.2500  0.9567  (0,0,1)      x+1/2,-y+1/2,-z+1/2        
-    3   4   3  ( O1   )-( O2   ): 2.9931(9)    0.8065 -0.2500  0.4567  (1,-1,1)     -x,y+1/2,-z                
-    3   4   3  ( O1   )-( O2   ): 2.9931(9)    0.8065  0.7500  0.4567  (1,0,1)      -x,y+1/2,-z                
-    3   5   1  ( O1   )-( O3   ): 2.4078(16)   1.0811  0.0273  0.8087  (1,0,0)      x,y,z                      
-    3   5   2  ( O1   )-( O3   ): 3.0955(17)   0.5811  0.4727  0.6913  (0,0,1)      x+1/2,-y+1/2,-z+1/2        
-    3   5   3  ( O1   )-( O3   ): 3.1870(15)   0.9189  0.5273  0.1913  (1,0,1)      -x,y+1/2,-z                
-    3   5   5  ( O1   )-( O3   ): 3.1870(15)   0.9189 -0.0273  0.1913  (1,0,1)      -x,-y,-z                   
-    3   5   7  ( O1   )-( O3   ): 2.4078(16)   1.0811  0.4727  0.8087  (1,0,0)      x,-y+1/2,z                 
-    3   5   8  ( O1   )-( O3   ): 3.0955(17)   0.5811  0.0273  0.6913  (0,0,1)      x+1/2,y,-z+1/2             
+    3   1   2  ( O1   )-( Pb   ): 2.61477      0.6875  0.2500  0.3329  (0,0,0)      x+1/2,-y+1/2,-z+1/2        
+    3   1   3  ( O1   )-( Pb   ): 3.26691      0.8125 -0.2500  0.8329  (1,-1,1)     -x,y+1/2,-z                
+    3   1   3  ( O1   )-( Pb   ): 3.26691      0.8125  0.7500  0.8329  (1,0,1)      -x,y+1/2,-z                
+    3   2   1  ( O1   )-(  S   ): 1.46876      1.0655  0.2500  0.6837  (1,0,0)      x,y,z                      
+    3   2   2  ( O1   )-(  S   ): 3.28703      0.5655  0.2500  0.8163  (0,0,1)      x+1/2,-y+1/2,-z+1/2        
+    3   2   3  ( O1   )-(  S   ): 3.33268      0.9345 -0.2500  0.3163  (1,-1,1)     -x,y+1/2,-z                
+    3   2   3  ( O1   )-(  S   ): 3.33268      0.9345  0.7500  0.3163  (1,0,1)      -x,y+1/2,-z                
+    3   3   3  ( O1   )-( O1   ): 3.38717      1.0918 -0.2500  0.4046  (2,-1,1)     -x,y+1/2,-z                
+    3   3   3  ( O1   )-( O1   ): 3.38717      1.0918  0.7500  0.4046  (2,0,1)      -x,y+1/2,-z                
+    3   4   1  ( O1   )-( O2   ): 2.44701      1.1935  0.2500  0.5433  (1,0,0)      x,y,z                      
+    3   4   2  ( O1   )-( O2   ): 3.10346      0.6935  0.2500  0.9567  (0,0,1)      x+1/2,-y+1/2,-z+1/2        
+    3   4   3  ( O1   )-( O2   ): 2.99311      0.8065 -0.2500  0.4567  (1,-1,1)     -x,y+1/2,-z                
+    3   4   3  ( O1   )-( O2   ): 2.99311      0.8065  0.7500  0.4567  (1,0,1)      -x,y+1/2,-z                
+    3   5   1  ( O1   )-( O3   ): 2.40782      1.0811  0.0273  0.8087  (1,0,0)      x,y,z                      
+    3   5   2  ( O1   )-( O3   ): 3.09547      0.5811  0.4727  0.6913  (0,0,1)      x+1/2,-y+1/2,-z+1/2        
+    3   5   3  ( O1   )-( O3   ): 3.18701      0.9189  0.5273  0.1913  (1,0,1)      -x,y+1/2,-z                
+    3   5   5  ( O1   )-( O3   ): 3.18701      0.9189 -0.0273  0.1913  (1,0,1)      -x,-y,-z                   
+    3   5   7  ( O1   )-( O3   ): 2.40782      1.0811  0.4727  0.8087  (1,0,0)      x,-y+1/2,z                 
+    3   5   8  ( O1   )-( O3   ): 3.09547      0.5811  0.0273  0.6913  (0,0,1)      x+1/2,y,-z+1/2             
 
 
     -------------------------------------------------------------------
@@ -218,18 +218,18 @@
  Orig. extr. p.equiv.           Distance      x_ext   y_ext   z_ext  (tx,ty,tz)     Sym. op.
 
 
-    4   1   1  ( O2   )-( Pb   ): 2.6188(17)   0.1875  0.2500  0.1670  (0,0,0)      x,y,z                      
-    4   1   4  ( O2   )-( Pb   ): 3.0069(8)    0.3125 -0.2500  0.6671  (0,0,0)      -x+1/2,-y,z+1/2            
-    4   1   4  ( O2   )-( Pb   ): 3.0069(8)    0.3125  0.7500  0.6671  (0,1,0)      -x+1/2,-y,z+1/2            
-    4   2   1  ( O2   )-(  S   ): 1.461(3)     0.0655  0.2500  0.6837  (0,0,0)      x,y,z                      
-    4   3   1  ( O2   )-( O1   ): 2.447(2)    -0.0918  0.2500  0.5954  (-1,0,0)     x,y,z                      
-    4   3   2  ( O2   )-( O1   ): 3.104(2)     0.4082  0.2500  0.9046  (-1,0,1)     x+1/2,-y+1/2,-z+1/2        
-    4   3   3  ( O2   )-( O1   ): 2.9931(9)    0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
-    4   3   3  ( O2   )-( O1   ): 2.9931(9)    0.0918  0.7500  0.4046  (1,0,1)      -x,y+1/2,-z                
-    4   5   1  ( O2   )-( O3   ): 2.4011(15)   0.0811  0.0273  0.8087  (0,0,0)      x,y,z                      
-    4   5   4  ( O2   )-( O3   ): 2.9252(16)   0.4189 -0.0273  0.3087  (0,0,-1)     -x+1/2,-y,z+1/2            
-    4   5   6  ( O2   )-( O3   ): 2.9252(16)   0.4189  0.5273  0.3087  (0,0,-1)     -x+1/2,y+1/2,z+1/2         
-    4   5   7  ( O2   )-( O3   ): 2.4011(15)   0.0811  0.4727  0.8087  (0,0,0)      x,-y+1/2,z                 
+    4   1   1  ( O2   )-( Pb   ): 2.61888      0.1875  0.2500  0.1670  (0,0,0)      x,y,z                      
+    4   1   4  ( O2   )-( Pb   ): 3.00684      0.3125 -0.2500  0.6671  (0,0,0)      -x+1/2,-y,z+1/2            
+    4   1   4  ( O2   )-( Pb   ): 3.00684      0.3125  0.7500  0.6671  (0,1,0)      -x+1/2,-y,z+1/2            
+    4   2   1  ( O2   )-(  S   ): 1.46083      0.0655  0.2500  0.6837  (0,0,0)      x,y,z                      
+    4   3   1  ( O2   )-( O1   ): 2.44701     -0.0918  0.2500  0.5954  (-1,0,0)     x,y,z                      
+    4   3   2  ( O2   )-( O1   ): 3.10346      0.4082  0.2500  0.9046  (-1,0,1)     x+1/2,-y+1/2,-z+1/2        
+    4   3   3  ( O2   )-( O1   ): 2.99311      0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
+    4   3   3  ( O2   )-( O1   ): 2.99311      0.0918  0.7500  0.4046  (1,0,1)      -x,y+1/2,-z                
+    4   5   1  ( O2   )-( O3   ): 2.40105      0.0811  0.0273  0.8087  (0,0,0)      x,y,z                      
+    4   5   4  ( O2   )-( O3   ): 2.92523      0.4189 -0.0273  0.3087  (0,0,-1)     -x+1/2,-y,z+1/2            
+    4   5   6  ( O2   )-( O3   ): 2.92523      0.4189  0.5273  0.3087  (0,0,-1)     -x+1/2,y+1/2,z+1/2         
+    4   5   7  ( O2   )-( O3   ): 2.40105      0.0811  0.4727  0.8087  (0,0,0)      x,-y+1/2,z                 
 
 
     -------------------------------------------------------------------
@@ -242,18 +242,18 @@
  Orig. extr. p.equiv.           Distance      x_ext   y_ext   z_ext  (tx,ty,tz)     Sym. op.
 
 
-    5   1   1  ( O3   )-( Pb   ): 2.9118(13)   0.1875  0.2500  1.1671  (0,0,1)      x,y,z                      
-    5   1   3  ( O3   )-( Pb   ): 2.7305(11)  -0.1875 -0.2500  0.8329  (0,-1,1)     -x,y+1/2,-z                
-    5   1   4  ( O3   )-( Pb   ): 2.6572(11)   0.3125 -0.2500  0.6671  (0,0,0)      -x+1/2,-y,z+1/2            
-    5   2   1  ( O3   )-(  S   ): 1.4897(19)   0.0655  0.2500  0.6837  (0,0,0)      x,y,z                      
-    5   3   1  ( O3   )-( O1   ): 2.4078(16)  -0.0918  0.2500  0.5954  (-1,0,0)     x,y,z                      
-    5   3   2  ( O3   )-( O1   ): 3.0955(17)   0.4082  0.2500  0.9046  (-1,0,1)     x+1/2,-y+1/2,-z+1/2        
-    5   3   3  ( O3   )-( O1   ): 3.1870(15)   0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
-    5   4   1  ( O3   )-( O2   ): 2.4011(15)   0.1935  0.2500  0.5433  (0,0,0)      x,y,z                      
-    5   4   4  ( O3   )-( O2   ): 2.9252(16)   0.3065 -0.2500  1.0433  (0,0,0)      -x+1/2,-y,z+1/2            
-    5   5   5  ( O3   )-( O3   ): 3.0112(14)  -0.0811 -0.0273  1.1913  (0,0,2)      -x,-y,-z                   
-    5   5   7  ( O3   )-( O3   ): 2.9930(11)   0.0811 -0.5273  0.8087  (0,-1,0)     x,-y+1/2,z                 
-    5   5   7  ( O3   )-( O3   ): 2.4043(11)   0.0811  0.4727  0.8087  (0,0,0)      x,-y+1/2,z                 
+    5   1   1  ( O3   )-( Pb   ): 2.91182      0.1875  0.2500  1.1671  (0,0,1)      x,y,z                      
+    5   1   3  ( O3   )-( Pb   ): 2.73054     -0.1875 -0.2500  0.8329  (0,-1,1)     -x,y+1/2,-z                
+    5   1   4  ( O3   )-( Pb   ): 2.65721      0.3125 -0.2500  0.6671  (0,0,0)      -x+1/2,-y,z+1/2            
+    5   2   1  ( O3   )-(  S   ): 1.48957      0.0655  0.2500  0.6837  (0,0,0)      x,y,z                      
+    5   3   1  ( O3   )-( O1   ): 2.40782     -0.0918  0.2500  0.5954  (-1,0,0)     x,y,z                      
+    5   3   2  ( O3   )-( O1   ): 3.09547      0.4082  0.2500  0.9046  (-1,0,1)     x+1/2,-y+1/2,-z+1/2        
+    5   3   3  ( O3   )-( O1   ): 3.18701      0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
+    5   4   1  ( O3   )-( O2   ): 2.40105      0.1935  0.2500  0.5433  (0,0,0)      x,y,z                      
+    5   4   4  ( O3   )-( O2   ): 2.92523      0.3065 -0.2500  1.0433  (0,0,0)      -x+1/2,-y,z+1/2            
+    5   5   5  ( O3   )-( O3   ): 3.01123     -0.0811 -0.0273  1.1913  (0,0,2)      -x,-y,-z                   
+    5   5   7  ( O3   )-( O3   ): 2.99300      0.0811 -0.5273  0.8087  (0,-1,0)     x,-y+1/2,z                 
+    5   5   7  ( O3   )-( O3   ): 2.40426      0.0811  0.4727  0.8087  (0,0,0)      x,-y+1/2,z                 
 
   ------------------------------------------------
   {--- BOND-VALENCE AND POLYHEDRA DISTORTIONS ---}
@@ -274,23 +274,23 @@
  => Bond-valence and coordination of atom: Pb   occupancy:  1.000(  0)
     -------------------------------------------------------------------
 
- (Pb  )-(O1  ) :  2.6148(  17)   0.264(  1)
- (Pb  )-(O2  ) :  2.6188(  17)   0.262(  1)
- (Pb  )-(O2  ) :  3.0069(   8)   0.119(  0)
- (Pb  )-(O2  ) :  3.0069(   8)   0.119(  0)
- (Pb  )-(O3  ) :  2.9118(  13)   0.144(  0)
- (Pb  )-(O3  ) :  2.7305(  11)   0.209(  0)
- (Pb  )-(O3  ) :  2.6572(  11)   0.242(  1)
- (Pb  )-(O3  ) :  2.7305(  11)   0.209(  0)
- (Pb  )-(O3  ) :  2.6572(  11)   0.242(  1)
- (Pb  )-(O3  ) :  2.9118(  13)   0.144(  0)
+ (Pb  )-(O1  ) :  2.6148(   0)   0.264(  0)
+ (Pb  )-(O2  ) :  2.6189(   0)   0.262(  0)
+ (Pb  )-(O2  ) :  3.0068(   0)   0.119(  0)
+ (Pb  )-(O2  ) :  3.0068(   0)   0.119(  0)
+ (Pb  )-(O3  ) :  2.9118(   0)   0.144(  0)
+ (Pb  )-(O3  ) :  2.7305(   0)   0.209(  0)
+ (Pb  )-(O3  ) :  2.6572(   0)   0.242(  0)
+ (Pb  )-(O3  ) :  2.7305(   0)   0.209(  0)
+ (Pb  )-(O3  ) :  2.6572(   0)   0.242(  0)
+ (Pb  )-(O3  ) :  2.9118(   0)   0.144(  0)
 
  Coordination number:    10      Eff.Coor. number: 10.00  for atom: Pb  
- Average distance  :  2.7846(   4)  Distortion:    29.119 xE-04
+ Average distance  :  2.7846(   0)  Distortion:    29.115 xE-04
  Predicted distance:  2.7516        Single bond-valence S= 0.200
                                       Valence:    2.000
-                                         Sums:    1.955(  2)
- Deviation from the Valence Sum Rule (r1,%dev):  -0.045   2.232
+                                         Sums:    1.955(  0)
+ Deviation from the Valence Sum Rule (r1,%dev):  -0.045   2.234
  {r1=Sumj(sij)-Vi, %dev=100abs(r1)/Vi} 
  Deviation from the Equal Valence Rule    (r2):   0.056
  {r2=<sij-<sij>>rms}
@@ -300,19 +300,19 @@
  => Bond-valence and coordination of atom: S    occupancy:  1.000(  0)
     -------------------------------------------------------------------
 
- (S   )-(O1  ) :  1.4688(  30)   1.521( 12)
- (S   )-(O2  ) :  1.4607(  30)   1.555( 13)
- (S   )-(O3  ) :  1.4897(  19)   1.438(  7)
- (S   )-(O3  ) :  1.4897(  19)   1.438(  7)
+ (S   )-(O1  ) :  1.4688(   0)   1.521(  0)
+ (S   )-(O2  ) :  1.4608(   0)   1.554(  0)
+ (S   )-(O3  ) :  1.4896(   0)   1.438(  0)
+ (S   )-(O3  ) :  1.4896(   0)   1.438(  0)
 
  Coordination number:     4      Eff.Coor. number:  4.00  for atom: S   
- Average distance  :  1.4772(  13)  Distortion:     0.751 xE-04
+ Average distance  :  1.4772(   0)  Distortion:     0.737 xE-04
  Predicted distance:  1.4740        Single bond-valence S= 1.500
                                       Valence:    6.000
-                                         Sums:    5.952( 21)
- Deviation from the Valence Sum Rule (r1,%dev):  -0.048   0.807
+                                         Sums:    5.952(  0)
+ Deviation from the Valence Sum Rule (r1,%dev):  -0.048   0.804
  {r1=Sumj(sij)-Vi, %dev=100abs(r1)/Vi} 
- Deviation from the Equal Valence Rule    (r2):   0.052
+ Deviation from the Equal Valence Rule    (r2):   0.051
  {r2=<sij-<sij>>rms}
 
 
@@ -320,15 +320,15 @@
  => Bond-valence and coordination of atom: O1   occupancy:  1.000(  0)
     -------------------------------------------------------------------
 
- (O1  )-(Pb  ) :  2.6148(  17)   0.264(  1)
- (O1  )-(S   ) :  1.4688(  30)   1.521( 12)
+ (O1  )-(Pb  ) :  2.6148(   0)   0.264(  0)
+ (O1  )-(S   ) :  1.4688(   0)   1.521(  0)
 
  Coordination number:     2      Eff.Coor. number:  2.00  for atom: O1  
- Average distance  :  2.0418(  17)  Distortion:   787.611 xE-04
+ Average distance  :  2.0418(   0)  Distortion:   787.596 xE-04
  Predicted distance:  1.6240        Single bond-valence S= 1.000
                                       Valence:   -2.000
-                                         Sums:    1.786( 12)
- Deviation from the Valence Sum Rule (r1,%dev):  -0.214  10.711
+                                         Sums:    1.786(  0)
+ Deviation from the Valence Sum Rule (r1,%dev):  -0.214  10.714
  {r1=Sumj(sij)-Vi, %dev=100abs(r1)/Vi} 
  Deviation from the Equal Valence Rule    (r2):   0.628
  {r2=<sij-<sij>>rms}
@@ -338,17 +338,17 @@
  => Bond-valence and coordination of atom: O2   occupancy:  1.000(  0)
     -------------------------------------------------------------------
 
- (O2  )-(Pb  ) :  2.6188(  17)   0.262(  1)
- (O2  )-(Pb  ) :  3.0069(   8)   0.119(  0)
- (O2  )-(Pb  ) :  3.0069(   8)   0.119(  0)
- (O2  )-(S   ) :  1.4607(  30)   1.555( 13)
+ (O2  )-(Pb  ) :  2.6189(   0)   0.262(  0)
+ (O2  )-(Pb  ) :  3.0068(   0)   0.119(  0)
+ (O2  )-(Pb  ) :  3.0068(   0)   0.119(  0)
+ (O2  )-(S   ) :  1.4608(   0)   1.554(  0)
 
  Coordination number:     4      Eff.Coor. number:  4.00  for atom: O2  
- Average distance  :  2.5233(   9)  Distortion:   630.574 xE-04
+ Average distance  :  2.5233(   0)  Distortion:   630.414 xE-04
  Predicted distance:  1.8805        Single bond-valence S= 0.500
                                       Valence:   -2.000
-                                         Sums:    2.055( 13)
- Deviation from the Valence Sum Rule (r1,%dev):   0.055   2.739
+                                         Sums:    2.054(  0)
+ Deviation from the Valence Sum Rule (r1,%dev):   0.054   2.705
  {r1=Sumj(sij)-Vi, %dev=100abs(r1)/Vi} 
  Deviation from the Equal Valence Rule    (r2):   0.604
  {r2=<sij-<sij>>rms}
@@ -358,17 +358,17 @@
  => Bond-valence and coordination of atom: O3   occupancy:  1.000(  0)
     -------------------------------------------------------------------
 
- (O3  )-(Pb  ) :  2.9118(  13)   0.144(  0)
- (O3  )-(Pb  ) :  2.7305(  11)   0.209(  0)
- (O3  )-(Pb  ) :  2.6572(  11)   0.242(  1)
- (O3  )-(S   ) :  1.4897(  19)   1.438(  7)
+ (O3  )-(Pb  ) :  2.9118(   0)   0.144(  0)
+ (O3  )-(Pb  ) :  2.7305(   0)   0.209(  0)
+ (O3  )-(Pb  ) :  2.6572(   0)   0.242(  0)
+ (O3  )-(S   ) :  1.4896(   0)   1.438(  0)
 
  Coordination number:     4      Eff.Coor. number:  4.00  for atom: O3  
- Average distance  :  2.4473(   7)  Distortion:   524.725 xE-04
+ Average distance  :  2.4473(   0)  Distortion:   524.828 xE-04
  Predicted distance:  1.8805        Single bond-valence S= 0.500
                                       Valence:   -2.000
-                                         Sums:    2.033(  7)
- Deviation from the Valence Sum Rule (r1,%dev):   0.033   1.660
+                                         Sums:    2.034(  0)
+ Deviation from the Valence Sum Rule (r1,%dev):   0.034   1.682
  {r1=Sumj(sij)-Vi, %dev=100abs(r1)/Vi} 
  Deviation from the Equal Valence Rule    (r2):   0.538
  {r2=<sij-<sij>>rms}
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4_1_sum.bvs b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4_1_sum.bvs
index 86f4549e0..1154a7adb 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4_1_sum.bvs
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv-asym_empir_pbso4/pbso4_1_sum.bvs
@@ -1,11 +1,11 @@
   Subroutine Calc_BVS (JRC-LLB, version: March-2005)
   Title: Summary of Bond-Valence calculations for file: pbso4_1.cfl
    Atom      Coord  D_aver Sigm   Distort(x10-4)    Valence    BVSum(Sigma)
-    Pb       10.00  2.7846(   4)        29.119       2.000       1.955(  2)
-    S         4.00  1.4772(  13)         0.751       6.000       5.952( 21)
-    O1        2.00  2.0418(  17)       787.611      -2.000       1.786( 12)
-    O2        4.00  2.5233(   9)       630.574      -2.000       2.055( 13)
-    O3        4.00  2.4473(   7)       524.725      -2.000       2.033(  7)
+    Pb       10.00  2.7846(   0)        29.115       2.000       1.955(  0)
+    S         4.00  1.4772(   0)         0.737       6.000       5.952(  0)
+    O1        2.00  2.0418(   0)       787.596      -2.000       1.786(  0)
+    O2        4.00  2.5233(   0)       630.414      -2.000       2.054(  0)
+    O3        4.00  2.4473(   0)       524.828      -2.000       2.034(  0)
  =>  Old Global Instability Index (  GII=SQRT{SUM{|BVS-abs(q)|^2}/Num_Atoms} ) =  10.42 /100
  =>  Normalized   GII(a)=       SUM {|BVS-abs(q)|  *mult}       /N_Atoms_UCell =   7.14 /100
  =>  Normalized   GII(b)=       SUM {|BVS-abs(q)|  *mult/abs(q)}/N_Atoms_UCell =   3.30 %
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.bac b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.bac
new file mode 100644
index 000000000..227df724e
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.bac
@@ -0,0 +1,3093 @@
+!  Background of: lbco                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            
+        9.6796      168.9265
+        9.7296      168.9142
+        9.7796      168.9020
+        9.8296      168.8898
+        9.8796      168.8775
+        9.9296      168.8652
+        9.9796      168.8530
+       10.0296      168.8407
+       10.0796      168.8285
+       10.1296      168.8163
+       10.1796      168.8040
+       10.2296      168.7917
+       10.2796      168.7795
+       10.3296      168.7673
+       10.3796      168.7550
+       10.4296      168.7428
+       10.4796      168.7305
+       10.5296      168.7182
+       10.5796      168.7060
+       10.6296      168.6938
+       10.6796      168.6815
+       10.7296      168.6693
+       10.7796      168.6570
+       10.8296      168.6447
+       10.8796      168.6325
+       10.9296      168.6203
+       10.9796      168.6080
+       11.0296      168.5957
+       11.0796      168.5835
+       11.1296      168.5712
+       11.1796      168.5590
+       11.2296      168.5468
+       11.2796      168.5345
+       11.3296      168.5222
+       11.3796      168.5100
+       11.4296      168.4978
+       11.4796      168.4855
+       11.5296      168.4733
+       11.5796      168.4610
+       11.6296      168.4487
+       11.6796      168.4365
+       11.7296      168.4243
+       11.7796      168.4120
+       11.8296      168.3997
+       11.8796      168.3875
+       11.9296      168.3752
+       11.9796      168.3630
+       12.0296      168.3508
+       12.0796      168.3385
+       12.1296      168.3262
+       12.1796      168.3140
+       12.2296      168.3018
+       12.2796      168.2895
+       12.3296      168.2773
+       12.3796      168.2650
+       12.4296      168.2527
+       12.4796      168.2405
+       12.5296      168.2283
+       12.5796      168.2160
+       12.6296      168.2038
+       12.6796      168.1915
+       12.7296      168.1792
+       12.7796      168.1670
+       12.8296      168.1548
+       12.8796      168.1425
+       12.9296      168.1302
+       12.9796      168.1180
+       13.0296      168.1058
+       13.0796      168.0935
+       13.1296      168.0813
+       13.1796      168.0690
+       13.2296      168.0567
+       13.2796      168.0445
+       13.3296      168.0323
+       13.3796      168.0200
+       13.4296      168.0078
+       13.4796      167.9955
+       13.5296      167.9832
+       13.5796      167.9710
+       13.6296      167.9588
+       13.6796      167.9465
+       13.7296      167.9342
+       13.7796      167.9220
+       13.8296      167.9097
+       13.8796      167.8975
+       13.9296      167.8853
+       13.9796      167.8730
+       14.0296      167.8607
+       14.0796      167.8485
+       14.1296      167.8363
+       14.1796      167.8240
+       14.2296      167.8118
+       14.2796      167.7995
+       14.3296      167.7872
+       14.3796      167.7750
+       14.4296      167.7628
+       14.4796      167.7505
+       14.5296      167.7383
+       14.5796      167.7260
+       14.6296      167.7137
+       14.6796      167.7015
+       14.7296      167.6893
+       14.7796      167.6770
+       14.8296      167.6647
+       14.8796      167.6525
+       14.9296      167.6403
+       14.9796      167.6280
+       15.0296      167.6158
+       15.0796      167.6035
+       15.1296      167.5912
+       15.1796      167.5790
+       15.2296      167.5668
+       15.2796      167.5545
+       15.3296      167.5423
+       15.3796      167.5300
+       15.4296      167.5177
+       15.4796      167.5055
+       15.5296      167.4933
+       15.5796      167.4810
+       15.6296      167.4688
+       15.6796      167.4565
+       15.7296      167.4442
+       15.7796      167.4320
+       15.8296      167.4198
+       15.8796      167.4075
+       15.9296      167.3952
+       15.9796      167.3830
+       16.0296      167.3708
+       16.0796      167.3585
+       16.1296      167.3463
+       16.1796      167.3340
+       16.2296      167.3217
+       16.2796      167.3095
+       16.3296      167.2973
+       16.3796      167.2850
+       16.4296      167.2728
+       16.4796      167.2605
+       16.5296      167.2482
+       16.5796      167.2360
+       16.6296      167.2238
+       16.6796      167.2115
+       16.7296      167.1992
+       16.7796      167.1870
+       16.8296      167.1748
+       16.8796      167.1625
+       16.9296      167.1503
+       16.9796      167.1380
+       17.0296      167.1257
+       17.0796      167.1135
+       17.1296      167.1013
+       17.1796      167.0890
+       17.2296      167.0768
+       17.2796      167.0645
+       17.3296      167.0522
+       17.3796      167.0400
+       17.4296      167.0278
+       17.4796      167.0155
+       17.5296      167.0033
+       17.5796      166.9910
+       17.6296      166.9788
+       17.6796      166.9665
+       17.7296      166.9543
+       17.7796      166.9420
+       17.8296      166.9297
+       17.8796      166.9175
+       17.9296      166.9053
+       17.9796      166.8930
+       18.0296      166.8808
+       18.0796      166.8685
+       18.1296      166.8562
+       18.1796      166.8440
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+      163.3796      174.5729
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+      163.6796      174.5690
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+      163.8796      174.5665
+      163.9296      174.5658
+      163.9796      174.5652
+      164.0296      174.5645
+      164.0796      174.5639
+      164.1296      174.5632
+      164.1796      174.5626
+      164.2296      174.5626
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.out b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.out
index 21387a7d4..bdf0d2a10 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.out
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.out
@@ -1,17 +1,17 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 07/06/2026  Time: 23:21:46.649                              
+    Date: 09/06/2026  Time: 12:42:02.352                              
 
  => PCR file code: lbco
- => DAT file code: lbco.dat             -> Relative contribution: 1.0000                                                            
+ => DAT file code: lbco                 -> Relative contribution: 1.0000                                                            
 
  ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
 
@@ -38,6 +38,7 @@
  ==> INPUT/OUTPUT OPTIONS:
 
  => Output Obs and Calc intensities on last cycle
+ => Generate bacground file *.bac
  => Generate file *.PRF for plot
  => Output Integrated Intensities
  => Generate new input file *.PCR
@@ -54,7 +55,7 @@
  => Number of cycles:  500
  => Relaxation factors ==>    for coordinates:  0.20
  => for anisotropic temperature factors:  0.20
- => for halfwidth/strain/size parameters:  0.20
+ => for halfwidth/strain/size/further parameters:  0.20
  => for lattice constants and propagation vectors:  0.20
  => EPS-value for convergence:    0.1
 
@@ -63,13 +64,13 @@
       0.0000      5.0000
     165.0000    180.0000
 
- => Number of Least-Squares parameters varied:    10
+ => Number of Least-Squares parameters varied:     0
 
  =>--------------------------->
  =>------->  PATTERN number:  1
  =>--------------------------->
  => Global parameters and codes ==>
- => Zero-point:     0.6226  101.0000
+ => Zero-point:     0.6204    0.0000
  => Perpendicular Displacement parameter and code:     0.00    0.00
  => Parallel      Displacement parameter and code:     0.00    0.00
 
@@ -271,39 +272,39 @@
  => Initial parameters ==>
  Atom    Ntyp                  X         Y         Z         B         occ.         in  fin  Spc  Mult
                              B11       B22       B33       B12       B13       B23
- La     La                 0.00000   0.00000   0.00000   0.57621   0.01042           0    0    0    1
-                 Codes:    0.00000   0.00000   0.00000  11.00000   0.00000
- Ba     Ba                 0.00000   0.00000   0.00000   0.57621   0.01042           0    0    0    1
-                 Codes:    0.00000   0.00000   0.00000  11.00000   0.00000
- Co     Co                 0.50000   0.50000   0.50000   0.26016   0.02083           0    0    0    1
-                 Codes:    0.00000   0.00000   0.00000  21.00000   0.00000
- O      O                  0.00000   0.50000   0.50000   1.36617   0.06116           0    0    0    3
-                 Codes:    0.00000   0.00000   0.00000  31.00000   0.00000
-
- => IT IS ASSUMED THAT THE FIRST GIVEN SITE IS FULLY OCCUPIED 
-    OR THE FIRST AND SECOND ATOMS ARE IN THE SAME SITE WITH TOTAL FULL OCCUPATION
+ La     La                 0.00000   0.00000   0.00000   0.57511   0.01042           0    0    0    1
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ Ba     Ba                 0.00000   0.00000   0.00000   0.57511   0.01042           0    0    0    1
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ Co     Co                 0.50000   0.50000   0.50000   0.26023   0.02083           0    0    0    1
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ O      O                  0.00000   0.50000   0.50000   1.36662   0.06116           0    0    0    3
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+
+ => It is assumed that THE FIRST GIVEN SITE plus all the other atoms 
+    occupying THE SAME POSITION have a total full occupation (no vacancies!)
   (if this is not the case, change the order of atoms to obtain correct values for the content of the unit cell)
     The phase contains sites partially occupied
       -> Atom: La  ,  Chemical element: LA  Atomic Mass:   138.9055
       -> Atom: Ba  ,  Chemical element: BA  Atomic Mass:   137.3400
       -> Atom: Co  ,  Chemical element: CO  Atomic Mass:    58.9332
       -> Atom: O   ,  Chemical element: O   Atomic Mass:    15.9994
- => The suggested value of ATZ is    244.14
-    This value will be used for quantitative analysis and ouput to the PCR/NEW file
+ => The given value of ATZ is        244.14 the program has calculated:         244.14
+    The value of ATZ given in the input PCR file will be used for quantitative analysis
  => The chemical content of the unit cell is: 
        0.5000 La   +   0.5000 Ba   +   0.9995 Co   +   2.9347 O      
  => The normalized site occupation numbers in % are: 
       50.0000 La     :       50.0000 Ba     :       99.9520 Co     :       97.8247 O        
- => The density (volumic mass) of the compound is:    6.878 g/cm3
+ => The density (volumic mass) of the compound is:    6.879 g/cm3
 
  =>-------> PROFILE PARAMETERS FOR PATTERN:  1
 
- => Overall scale factor:    9.40592    
+ => Overall scale factor:    9.40587    
  => ETA (p-Voigt) OR M (Pearson VII):   0.0000
  => Overall temperature factor:      0.00000
- => Halfwidth U,V,W:      0.08171    -0.11545     0.12102
- => X and Y parameters:       0.0000      0.0832
- => Direct cell parameters:    3.8909   3.8909   3.8909  90.0000  90.0000  90.0000
+ => Halfwidth U,V,W:      0.08155    -0.11535     0.12112
+ => X and Y parameters:       0.0000      0.0830
+ => Direct cell parameters:    3.8908   3.8908   3.8908  90.0000  90.0000  90.0000
  => Preferred orientation parameters:   0.0000  0.0000
  => Asymmetry parameters     :      0.00000     0.00000     0.00000     0.00000
  => Strain parameters        :      0.00000     0.00000     0.00000
@@ -314,12 +315,12 @@
 
  ==> CODEWORDS FOR PROFILE PARAMETERS of PATTERN#  1
 
- => Overall scale factor:   51.000
+ => Overall scale factor:    0.000
  => ETA (p-Voigt) OR M (Pearson VII):    0.000
  => Overall temperature factor:    0.000
- => Halfwidth U,V,W:   61.000  71.000  81.000
- => X and Y parameters:    0.000  91.000
- => Direct cell parameters:   41.000  41.000  41.000   0.000   0.000   0.000
+ => Halfwidth U,V,W:    0.000   0.000   0.000
+ => X and Y parameters:    0.000   0.000
+ => Direct cell parameters:    0.000   0.000   0.000   0.000   0.000   0.000
  => Preferred orientation parameters:    0.000   0.000
  => Asymmetry parameters     :    0.000   0.000   0.000   0.000
  => Strain parameters        :    0.000   0.000   0.000
@@ -332,36 +333,36 @@
 
  => Direct cell parameters:
 
-         a =       3.8909      b =       3.8909      c =       3.8909
+         a =       3.8908      b =       3.8908      c =       3.8908
      alpha =       90.000   beta =       90.000  gamma =       90.000
-                        Direct Cell Volume =      58.9027
+                        Direct Cell Volume =      58.8997
 
  => Reciprocal cell parameters:
 
-         a*=     0.257013      b*=     0.257013      c*=     0.257013
+         a*=     0.257017      b*=     0.257017      c*=     0.257017
      alpha*=       90.000   beta*=       90.000  gamma*=       90.000
-                    Reciprocal Cell Volume =   0.01697714
+                    Reciprocal Cell Volume =   0.01697800
 
  => Direct and Reciprocal Metric Tensors:
 
                    GD                                       GR
-     15.1388      0.0000      0.0000          0.066056    0.000000    0.000000
-      0.0000     15.1388      0.0000          0.000000    0.066056    0.000000
-      0.0000      0.0000     15.1388          0.000000    0.000000    0.066056
+     15.1382      0.0000      0.0000          0.066058    0.000000    0.000000
+      0.0000     15.1382      0.0000          0.000000    0.066058    0.000000
+      0.0000      0.0000     15.1382          0.000000    0.000000    0.066058
 
  =>  Cartesian frame: x // a; z is along c*; y is within the ab-plane   
 
      Crystal_to_Orthonormal_Matrix              Orthonormal_to_Crystal Matrix
               Cr_Orth_cel                               Orth_Cr_cel  
-      3.8909      0.0000      0.0000          0.257013   -0.000000   -0.000000
-      0.0000      3.8909      0.0000          0.000000    0.257013   -0.000000
-      0.0000      0.0000      3.8909          0.000000    0.000000    0.257013
+      3.8908      0.0000      0.0000          0.257017   -0.000000   -0.000000
+      0.0000      3.8908      0.0000          0.000000    0.257017   -0.000000
+      0.0000      0.0000      3.8908          0.000000    0.000000    0.257017
 
      Busing-Levy B-matrix: Hc=B.H            Inverse of the Busing-Levy B-matrix
                 BL_M                                      BL_Minv  
-    0.257013    0.000000    0.000000            3.8909     -0.0000     -0.0000
-    0.000000    0.257013   -0.000000            0.0000      3.8909      0.0000
-    0.000000    0.000000    0.257013            0.0000      0.0000      3.8909
+    0.257017    0.000000    0.000000            3.8908     -0.0000     -0.0000
+    0.000000    0.257017   -0.000000            0.0000      3.8908      0.0000
+    0.000000    0.000000    0.257017            0.0000      0.0000      3.8908
 
  => Laue symmetry m-3m  will be used to generate HKL for pattern#   1
  => Reflections generated between S(1/d)min:  0.1202 A-1 and S(1/d)max:  1.3387 A-1
@@ -376,21 +377,6 @@
  Ba     0.5070
  Co     0.2490
  O      0.5803
-
-     --------------------------------------------------------------
-      SYMBOLIC NAMES AND INITIAL VALUES OF PARAMETERS TO BE VARIED:
-     --------------------------------------------------------------
-
-      ->  Parameter number    1   -> Symbolic Name:                                        Biso_La_ph1    0.57621002    
-      ->  Parameter number    2   -> Symbolic Name:                                        Biso_Co_ph1    0.26016000    
-      ->  Parameter number    3   -> Symbolic Name:                                         Biso_O_ph1     1.3661700    
-      ->  Parameter number    4   -> Symbolic Name:                                    Cell_A_ph1_pat1     3.8908560    
-      ->  Parameter number    5   -> Symbolic Name:                                     Scale_ph1_pat1     9.4059200    
-      ->  Parameter number    6   -> Symbolic Name:                                    U-Cagl_ph1_pat1    0.81712000E-01
-      ->  Parameter number    7   -> Symbolic Name:                                    V-Cagl_ph1_pat1   -0.11544900    
-      ->  Parameter number    8   -> Symbolic Name:                                    W-Cagl_ph1_pat1    0.12102100    
-      ->  Parameter number    9   -> Symbolic Name:                                     Y-cos_ph1_pat1    0.83237998E-01
-      ->  Parameter number   10   -> Symbolic Name:                                          Zero_pat1    0.62260002    
   
  
  => Optimizations for routine tasks applied:
@@ -398,41 +384,41 @@
  
 
 
-   Standard deviations have to be multiplied by: 1.4020
+   Standard deviations have to be multiplied by: 1.4021
    (correlated residuals) See references:
   -J.F.Berar & P.Lelann, J. Appl. Cryst. 24, 1-5 (1991) 
   -J.F.Berar, Acc. in Pow. Diff. II,NIST Sp.Pub. 846, 63(1992) 
 
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
- => CYCLE No.:   31
+ => CYCLE No.:    1
  =>  Convergence reached at this CYCLE !!!!
  =>  Parameter shifts set to zero
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: LBCO                                                                  
- ---------------------------------------------------------------------------------------
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: LBCO
+ ------------------------------------------------------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
 
- La       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.57499 0.00000 0.02737  0.01042 0.00000 0.00000
- Ba       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.57499 0.00000 0.02737  0.01042 0.00000 0.00000
- Co       0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.26014 0.00000 0.05554  0.02083 0.00000 0.00000
- O        0.00000 0.00000 0.00000  0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  1.36658 0.00000 0.01587  0.06116 0.00000 0.00000
+ La       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.57511 0.00000 0.00000  0.01042 0.00000 0.00000
+ Ba       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.57511 0.00000 0.00000  0.01042 0.00000 0.00000
+ Co       0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.26023 0.00000 0.00000  0.02083 0.00000 0.00000
+ O        0.00000 0.00000 0.00000  0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  1.36662 0.00000 0.00000  0.06116 0.00000 0.00000
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
- => Overall scale factor:      9.405646324     0.000000000     0.053800959
+ => Overall scale factor:      9.405870438     0.000000000     0.000000000
  => Eta(p-Voigt) or m(Pearson VII):   0.000000  0.000000  0.000000
  => Overall tem. factor:     0.000000    0.000000    0.000000
  => Halfwidth parameters: 
-         0.081547    0.000000    0.003086
-        -0.115345    0.000000    0.006655
-         0.121119    0.000000    0.003214
+         0.081547    0.000000    0.000000
+        -0.115345    0.000000    0.000000
+         0.121125    0.000000    0.000000
  => Cell parameters: 
-        3.890790    0.000000    0.000019
-        3.890790    0.000000    0.000019
-        3.890790    0.000000    0.000019
+        3.890790    0.000000    0.000000
+        3.890790    0.000000    0.000000
+        3.890790    0.000000    0.000000
        90.000000    0.000000    0.000000
        90.000000    0.000000    0.000000
        90.000000    0.000000    0.000000
@@ -446,7 +432,7 @@
          0.000000    0.000000    0.000000
  => X and Y parameters: 
          0.000000    0.000000    0.000000
-         0.083044    0.000000    0.001898
+         0.083038    0.000000    0.000000
  => Strain parameters: 
          0.000000    0.000000    0.000000
          0.000000    0.000000    0.000000
@@ -461,113 +447,103 @@
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:     0.6204    0.0000    0.0010
+ => Zero-point:     0.6204    0.0000    0.0000
 
  => Cos(2theta)-shift parameter :   0.0000  0.0000  0.0000
  => Sin(2theta)-shift parameter :   0.0000  0.0000  0.0000
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
- => R-Factors:   5.62      7.22     Chi2:  1.29     DW-Stat.:  1.5702   Patt#:  1
- => Expected :            6.35                                1.8947
- => Deviance : 0.379E+04     Dev*:   1.230    
+ => R-Factors:   5.62      7.22     Chi2:  1.29     DW-Stat.:  1.5701   Patt#:  1
+ => Expected :            6.36                                1.8882
+ => Deviance : 0.379E+04     Dev*:   1.227    
  => GoF-index:  1.1         Sqrt(Residual/N)
- => N-P+C:  3081
+ => N-P+C:  3091
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.4041E+05    0.7196E+06    0.7161E+06    0.7638E+06     3985.        0.3301E+11
+     0.4041E+05    0.7196E+06    0.7162E+06    0.7638E+06     3985.         0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   21.2      16.1      14.2      1.293    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   21.2      16.1      14.2      1.289    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.1907E+06    0.1533E+06
 
- => N-sigma of the GoF:       11.515
+ => N-sigma of the GoF:       11.372
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => R-Factors:   5.61      7.22     Chi2:  1.30     DW-Stat.:  1.5809   Patt#:
- => Expected :            6.34                                1.8942
- => Deviance : 0.376E+04     Dev*:   1.233    
+ => R-Factors:   5.61      7.22     Chi2:  1.29     DW-Stat.:  1.5808   Patt#:
+ => Expected :            6.35                                1.8877
+ => Deviance : 0.376E+04     Dev*:   1.229    
  => GoF-index:  1.1         Sqrt(Residual/N)
- => N-P+C:  3051
+ => N-P+C:  3061
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.4010E+05    0.7145E+06    0.7113E+06    0.7588E+06     3958.        0.3301E+11
+     0.4010E+05    0.7145E+06    0.7113E+06    0.7588E+06     3958.         0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   21.0      16.1      14.1      1.297    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   21.0      16.1      14.1      1.293    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.1906E+06    0.1533E+06
 
- => N-sigma of the GoF:       11.608
+ => N-sigma of the GoF:       11.465
 
- => Global user-weigthed Chi2 (Bragg contrib.):   1.31    
+ => Global user-weigthed Chi2 (Bragg contrib.):   1.30    
 
- --------------------------------------------------------------------------------------------------------------
- Pattern#  1 Phase No.:   1 Phase name: LBCO                          
- --------------------------------------------------------------------------------------------------------------
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
+ Pattern#  1 Phase No.:   1 Phase name: LBCO
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
 
    No.  Code     H   K   L  Mult     Hw         2theta      Icalc       Iobs      Sigma      HwG     HwL       ETA       d-hkl        CORR
 
-      1   1      1   0   0     6  0.365206      22.138       16.0        2.4      9.375  0.318864  0.084620  0.292279  3.890790     82.932671
-      2   1      1   1   0    12  0.355723      31.509      101.2      101.4      6.824  0.308331  0.086287  0.304865  2.751204     84.566650
-      3   1      1   1   1     8  0.349464      38.846     1428.6     1496.4     11.291  0.300975  0.088057  0.315689  2.246349     38.356071
-      4   1      2   0   0     6  0.345037      45.161     1231.9     1240.3     10.845  0.295387  0.089941  0.325627  1.945395     22.036751
-      5   1      2   1   0    24  0.341942      50.847        9.1       10.3      2.527  0.291060  0.091950  0.334990  1.740014     72.093254
-      6   1      2   1   1    24  0.339962      56.105       81.3       75.9      5.333  0.287766  0.094101  0.343911  1.588408     61.482910
-      7   1      2   2   0    12  0.339065      65.781     1180.0     1179.6     11.692  0.283954  0.098898  0.360602  1.375602     24.231371
-      8   1      2   2   1    24  0.340166      70.336        3.5        6.3      1.497  0.283428  0.101589  0.368359  1.296930     44.250076
-      9   1      3   0   0     6  0.340166      70.336        0.9        1.6      0.374  0.283428  0.101589  0.368359  1.296930     11.062519
-     10   1      3   1   0    24  0.342388      74.765       58.6       59.3      3.685  0.283891  0.104512  0.375674  1.230376     40.971024
-     11   1      3   1   1    24  0.345850      79.102     1028.5     1073.6      9.554  0.285443  0.107704  0.382484  1.173117     38.383602
-     12   1      2   2   2     8  0.350714      83.377      514.6      551.3      7.597  0.288224  0.111206  0.388713  1.123174     12.109704
-     13   1      3   2   0    24  0.357194      87.615        1.6        0.0      1.491  0.292419  0.115074  0.394272  1.079111     34.700928
-     14   1      3   2   1    48  0.365570      91.840      101.8       89.0      5.627  0.298271  0.119376  0.399061  1.039857     66.853668
-     15   1      4   0   0     6  0.389570     100.343      295.0      249.4      8.022  0.316314  0.129660  0.405891  0.972698      7.941970
-     16   1      3   2   2    24  0.406304     104.671        0.8        0.0      0.744  0.329473  0.135910  0.407707  0.943655     31.340225
-     17   1      4   1   0    24  0.406304     104.671        0.8        0.0      0.744  0.329473  0.135910  0.407707  0.943655     31.340225
-     18   1      3   3   0    12  0.427273     109.086       24.9       28.5      1.420  0.346327  0.143160  0.408306  0.917068     15.588990
-     19   1      4   1   1    24  0.427273     109.086       49.9       57.0      2.840  0.346327  0.143160  0.408306  0.917068     31.177980
-     20   1      3   3   1    24  0.453696     113.623      604.4      606.7      7.891  0.367936  0.151710  0.407582  0.892609     31.300924
-     21   1      4   2   0    24  0.487365     118.323     1033.0     1082.6     10.146  0.395850  0.162001  0.405429  0.870007     31.752760
-     22   1      4   2   1    48  0.531037     123.241        0.8        3.3      0.709  0.432456  0.174718  0.401745  0.849040     65.228424
-     23   1      3   3   2    24  0.589260     128.453       56.5       64.9      4.297  0.481678  0.190992  0.396415  0.829519     34.031048
-     24   1      4   2   2    24  0.790614     140.293     1140.2     1194.6     11.666  0.653565  0.244528  0.380139  0.794204     39.936905
-     25   1      4   3   0    24  0.992268     147.463        0.2        0.1      0.146  0.826696  0.296444  0.368479  0.778158     46.476059
-     26   1      5   0   0     6  0.992267     147.463        0.1        0.0      0.036  0.826696  0.296443  0.368479  0.778158     11.619015
-     27   1      4   3   1    48  1.428661     156.458      207.8      194.0      4.543  1.202294  0.407079  0.353062  0.763047    122.709892
-     28   1      5   1   0    24  1.428660     156.458      103.9       97.0      2.271  1.202293  0.407079  0.353062  0.763047     61.354946
+      1   1      1   0   0     6  0.365212      22.138       16.0        2.4      9.375  0.318874  0.084612  0.292250  3.890790     82.929893
+      2   1      1   1   0    12  0.355728      31.509      101.2      101.4      6.823  0.308342  0.086279  0.304835  2.751204     84.563889
+      3   1      1   1   1     8  0.349470      38.846     1428.6     1496.4     11.287  0.300986  0.088049  0.315657  2.246349     38.354851
+      4   1      2   0   0     6  0.345043      45.161     1231.9     1240.2     10.841  0.295398  0.089932  0.325594  1.945395     22.036064
+      5   1      2   1   0    24  0.341948      50.847        9.1       10.3      2.527  0.291071  0.091942  0.334956  1.740014     72.091072
+      6   1      2   1   1    24  0.339968      56.105       81.2       75.9      5.333  0.287778  0.094092  0.343877  1.588408     61.481110
+      7   1      2   2   0    12  0.339071      65.781     1179.9     1179.6     11.691  0.283965  0.098889  0.360567  1.375602     24.230717
+      8   1      2   2   1    24  0.340172      70.336        3.5        6.3      1.497  0.283439  0.101580  0.368323  1.296930     44.248940
+      9   1      3   0   0     6  0.340172      70.336        0.9        1.6      0.374  0.283439  0.101580  0.368323  1.296930     11.062235
+     10   1      3   1   0    24  0.342394      74.765       58.6       59.3      3.685  0.283903  0.104503  0.375637  1.230376     40.970039
+     11   1      3   1   1    24  0.345855      79.102     1028.5     1073.6      9.554  0.285455  0.107694  0.382447  1.173117     38.382736
+     12   1      2   2   2     8  0.350718      83.377      514.5      551.3      7.597  0.288235  0.111196  0.388677  1.123174     12.109456
+     13   1      3   2   0    24  0.357198      87.615        1.6        0.0      1.491  0.292430  0.115064  0.394236  1.079111     34.700294
+     14   1      3   2   1    48  0.365574      91.840      101.8       89.0      5.626  0.298282  0.119365  0.399024  1.039857     66.852608
+     15   1      4   0   0     6  0.389572     100.343      295.0      249.4      8.020  0.316324  0.129648  0.405856  0.972697      7.941893
+     16   1      3   2   2    24  0.406306     104.671        0.8        0.0      0.744  0.329482  0.135897  0.407672  0.943655     31.340061
+     17   1      4   1   0    24  0.406306     104.671        0.8        0.0      0.744  0.329482  0.135897  0.407672  0.943655     31.340061
+     18   1      3   3   0    12  0.427273     109.086       24.9       28.5      1.420  0.346335  0.143147  0.408273  0.917068     15.588984
+     19   1      4   1   1    24  0.427273     109.086       49.9       57.0      2.839  0.346335  0.143147  0.408273  0.917068     31.177969
+     20   1      3   3   1    24  0.453695     113.623      604.4      606.6      7.891  0.367944  0.151696  0.407549  0.892608     31.301102
+     21   1      4   2   0    24  0.487363     118.323     1033.0     1082.5     10.145  0.395858  0.161986  0.405398  0.870007     31.753185
+     22   1      4   2   1    48  0.531034     123.241        0.8        3.3      0.709  0.432462  0.174702  0.401714  0.849040     65.230003
+     23   1      3   3   2    24  0.589254     128.453       56.5       64.9      4.295  0.481683  0.190975  0.396386  0.829519     34.032375
+     24   1      4   2   2    24  0.790603     140.293     1140.2     1194.6     11.662  0.653568  0.244506  0.380112  0.794204     39.940758
+     25   1      4   3   0    24  0.992252     147.463        0.2        0.1      0.146  0.826697  0.296417  0.368454  0.778158     46.483788
+     26   1      5   0   0     6  0.992252     147.463        0.1        0.0      0.036  0.826697  0.296417  0.368454  0.778158     11.620947
+     27   1      4   3   1    48  1.428639     156.458      207.8      193.9      4.540  1.202294  0.407043  0.353038  0.763047    122.753845
+     28   1      5   1   0    24  1.428639     156.458      103.9       97.0      2.270  1.202294  0.407043  0.353038  0.763047     61.376923
 
      -----------------------------------------------------
      BRAGG R-Factors and weight fractions for Pattern #  1
      -----------------------------------------------------
 
  => Phase:  1     LBCO
- => Bragg R-factor:   4.16       Vol:   58.900( 0.001)  Fract(%):  100.00( 0.81)
+ => Bragg R-factor:   4.16       Vol:   58.900( 0.000)  Fract(%):  100.00( 0.00)
  => Rf-factor=  4.38             ATZ:         244.138   Brindley:  1.0000
 
      -----------------------------------------------------------------
       SYMBOLIC NAMES AND FINAL VALUES AND SIGMA OF REFINED PARAMETERS:
      -----------------------------------------------------------------
 
-      ->  Parameter number    1 :                                        Biso_La_ph1    0.57498759    ( +/-    0.27373150E-01 )
-      ->  Parameter number    2 :                                        Biso_Co_ph1    0.26013809    ( +/-    0.55540163E-01 )
-      ->  Parameter number    3 :                                         Biso_O_ph1     1.3665781    ( +/-    0.15874390E-01 )
-      ->  Parameter number    4 :                                    Cell_A_ph1_pat1     3.8907900    ( +/-    0.19080579E-04 )
-      ->  Parameter number    5 :                                     Scale_ph1_pat1     9.4056463    ( +/-    0.53800959E-01 )
-      ->  Parameter number    6 :                                    U-Cagl_ph1_pat1    0.81546508E-01( +/-    0.30862924E-02 )
-      ->  Parameter number    7 :                                    V-Cagl_ph1_pat1   -0.11534495    ( +/-    0.66548632E-02 )
-      ->  Parameter number    8 :                                    W-Cagl_ph1_pat1    0.12111910    ( +/-    0.32143740E-02 )
-      ->  Parameter number    9 :                                     Y-cos_ph1_pat1    0.83044462E-01( +/-    0.18978849E-02 )
-      ->  Parameter number   10 :                                          Zero_pat1    0.62042677    ( +/-    0.10382259E-02 )
 
  ------------------------------------------------------------------
  => Number of bytes for floating point variables: 4
  => Dimensions of dynamic allocated arrays in this run of FullProf:
  ------------------------------------------------------------------
 
- => Total approximate array memory (dynamic + static): 127459053 bytes
+ => Total approximate array memory (dynamic + static): 132451053 bytes
 
     MaxPOINT=    80000 Max.num. of points(+int. Inten.)/diffraction pattern       
     MaxREFLT=    25000 Max.num. of reflections/diffraction pattern               
@@ -592,7 +568,7 @@
     NGL     =      400 Max.num. of global parameters/diffraction pattern          
     N_LINC  =       50 Max.num. of global linear restraints                        
     NAT_P   =       80 Max.num. of atomic parameters per atom                     
-    NCONST  =      500 Max.num. of slack constraints per phase                    
+    NCONST  =     3500 Max.num. of slack constraints per phase                    
     N_SPE   =       30 Max.num. of different chemical species                     
     N_FORM  =       60 Max.num. of scattering factor values in a table            
     NPR     =      150 Max.num. of points defining a numerical profile            
@@ -601,7 +577,7 @@
     NSOL    =       10 Max.num. of solutions to be stored in Montecarlo searchs   
 
  
-              CPU Time:     1.406 seconds
-                            0.023 minutes
+              CPU Time:     0.164 seconds
+                            0.003 minutes
 
- => Run finished at:     Date: 07/06/2026  Time: 23:21:48.064                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:02.516                              
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.pcr b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.pcr
index 8737ce9ef..f7bdc8439 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.pcr
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.pcr
@@ -1,14 +1,14 @@
 COMM La0.5Ba0.5CoO3
-! Current global Chi2 (Bragg contrib.) =      1.306
+! Current global Chi2 (Bragg contrib.) =      1.302    
 ! Files => DAT-file: lbco.dat,  PCR-file: lbco
 !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut
    1   7   1   5   2   0   0   0   0   0   0   0   0   0   0   0   0   1   1
 !
 !Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana
-   2   0   1   0   1   0   4   0   0  -3  10   1   1   0   0   1   1
+   2   2   1   0   1   0   4   0   0   2  10   1   1   0   0   1   1
 !
 ! Lambda1  Lambda2    Ratio    Bkpos    Wdt    Cthm     muR   AsyLim   Rpolarz  2nd-muR -> Patt# 1
- 1.494000 1.494000  0.00000   77.275 30.0000  0.0000  0.0000  160.00    0.0000  0.0000
+ 1.494000 1.494000  0.00000   77.275  30.000  0.0000  0.0000  160.00    0.0000  0.0000
 !
 !NCY  Eps  R_at  R_an  R_pr  R_gl     Thmin       Step       Thmax    PSD    Sent0
 500  0.05  0.20  0.20  0.20  0.20     10.3000   0.050018   164.8500   0.000   0.000
@@ -19,16 +19,16 @@ COMM La0.5Ba0.5CoO3
         50.0000       166.9100          0.00
        110.0000       175.2700          0.00
        165.0000       174.5600          0.00
-!
+! 
 ! Excluded regions (LowT  HighT) for Pattern#  1
         0.00        5.00
       165.00      180.00
+! 
 !
-!
-      10    !Number of refined parameters
+       0    !Number of refined parameters
 !
 !  Zero    Code    SyCos    Code   SySin    Code  Lambda     Code MORE ->Patt# 1
-  0.62043  101.0  0.00000    0.0  0.00000    0.0 0.000000    0.00   0
+  0.62040    0.0  0.00000    0.0  0.00000    0.0 0.000000    0.00   0
 !-------------------------------------------------------------------------------
 !  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   0.0000
 !-------------------------------------------------------------------------------
@@ -40,24 +40,24 @@ LBCO
 !
 P m -3 m                 <--Space group symbol
 !Atom   Typ       X        Y        Z     Biso       Occ     In Fin N_t Spc /Codes
-La     La      0.00000  0.00000  0.00000  0.57499   0.01042   0   0   0    0
-                  0.00     0.00     0.00    11.00      0.00
-Ba     Ba      0.00000  0.00000  0.00000  0.57499   0.01042   0   0   0    0
-                  0.00     0.00     0.00    11.00      0.00
-Co     Co      0.50000  0.50000  0.50000  0.26014   0.02083   0   0   0    0
-                  0.00     0.00     0.00    21.00      0.00
-O      O       0.00000  0.50000  0.50000  1.36658   0.06116   0   0   0    0
-                  0.00     0.00     0.00    31.00      0.00
+La     La      0.00000  0.00000  0.00000  0.57511   0.01042   0   0   0    0  
+                  0.00     0.00     0.00     0.00      0.00
+Ba     Ba      0.00000  0.00000  0.00000  0.57511   0.01042   0   0   0    0  
+                  0.00     0.00     0.00     0.00      0.00
+Co     Co      0.50000  0.50000  0.50000  0.26023   0.02083   0   0   0    0  
+                  0.00     0.00     0.00     0.00      0.00
+O      O       0.00000  0.50000  0.50000  1.36662   0.06116   0   0   0    0  
+                  0.00     0.00     0.00     0.00      0.00
 !-------> Profile Parameters for Pattern #   1  ----> Phase #   1
 !  Scale          Shape1      Bov      Str1      Str2      Str3   Strain-Model
-  9.405646       0.00000   0.00000   0.00000   0.00000   0.00000       0
-      51.00000     0.000     0.000     0.000     0.000     0.000
+  9.405870       0.00000   0.00000   0.00000   0.00000   0.00000       0
+       0.00000     0.000     0.000     0.000     0.000     0.000
 !       U            V            W             X            Y         GauSiz      LorSiz    Size-Model
-     0.081547    -0.115345     0.121119     0.000000     0.083044     0.000000     0.000000       0
-        61.00        71.00        81.00         0.00        91.00         0.00         0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
+     0.081547    -0.115345     0.121125     0.000000     0.083038     0.000000     0.000000       0
+         0.00         0.00         0.00         0.00         0.00         0.00         0.00
+!     a          b         c        alpha      beta       gamma      # Cell Info
    3.890790   3.890790   3.890790  90.000000  90.000000  90.000000   #box -0.25 1.25 -0.15 1.15 -0.15 1.15
-   41.00000   41.00000   41.00000    0.00000    0.00000    0.00000
+    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 !  Pref1    Pref2      Asy1     Asy2     Asy3     Asy4      S_L      D_L
   0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000
      0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.prf b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.prf
index ef4b66bee..fb0f8d6d2 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.prf
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.prf
@@ -1,3098 +1,3166 @@
- La0.5Ba0.5CoO3    CELL:    3.89079   3.89079   3.89079   90.0000   90.0000   90.0000   SPGR: P m -3 m               TEMP:      0.00
-  1   3092     1.49400     1.49400     0.62043     0.00000     0.00000    0
-   30    0    2
-       0.00000       5.00000
-     165.00000     180.00000
- 2Theta	Yobs	Ycal	Yobs-Ycal	Backg	Bragg	Posr	(hkl)	K
-     10.3000	  190.00	  168.93	 -879.91	  127.90	     22.7585	       0	(  1  0  0)	  0  1
-     10.3500	  182.00	  168.91	 -887.90	  127.89	     32.1296	       0	(  1  1  0)	  0  1
-     10.4000	  166.00	  168.90	 -903.89	  127.88	     39.4664	       0	(  1  1  1)	  0  1
-     10.4500	  203.00	  168.89	 -866.87	  127.86	     45.7817	       0	(  2  0  0)	  0  1
-     10.5000	  156.00	  168.88	 -913.86	  127.85	     51.4676	       0	(  2  1  0)	  0  1
-     10.5500	  190.00	  168.87	 -879.85	  127.84	     56.7256	       0	(  2  1  1)	  0  1
-     10.6000	  175.00	  168.85	 -894.84	  127.83	     66.4014	       0	(  2  2  0)	  0  1
-     10.6500	  161.00	  168.84	 -908.83	  127.82	     70.9564	       0	(  2  2  1)	  0  1
-     10.7000	  187.00	  168.83	 -882.81	  127.80	     70.9564	       0	(  3  0  0)	  0  1
-     10.7500	  166.00	  168.82	 -903.80	  127.79	     75.3852	       0	(  3  1  0)	  0  1
-     10.8000	  171.00	  168.80	 -898.79	  127.78	     79.7224	       0	(  3  1  1)	  0  1
-     10.8500	  177.00	  168.79	 -892.78	  127.77	     83.9972	       0	(  2  2  2)	  0  1
-     10.9000	  159.00	  168.78	 -910.76	  127.75	     88.2352	       0	(  3  2  0)	  0  1
-     10.9500	  184.00	  168.77	 -885.75	  127.74	     92.4602	       0	(  3  2  1)	  0  1
-     11.0000	  160.00	  168.76	 -909.74	  127.73	    100.9638	       0	(  4  0  0)	  0  1
-     11.0500	  182.00	  168.74	 -887.73	  127.72	    105.2915	       0	(  3  2  2)	  0  1
-     11.1000	  167.00	  168.73	 -902.72	  127.71	    105.2915	       0	(  4  1  0)	  0  1
-     11.1500	  169.00	  168.72	 -900.70	  127.69	    109.7067	       0	(  3  3  0)	  0  1
-     11.2000	  186.00	  168.71	 -883.69	  127.68	    109.7067	       0	(  4  1  1)	  0  1
-     11.2500	  167.00	  168.69	 -902.68	  127.67	    114.2432	       0	(  3  3  1)	  0  1
-     11.3000	  169.00	  168.68	 -900.67	  127.66	    118.9430	       0	(  4  2  0)	  0  1
-     11.3500	  159.00	  168.67	 -910.65	  127.64	    123.8610	       0	(  4  2  1)	  0  1
-     11.4000	  170.00	  168.66	 -899.64	  127.63	    129.0738	       0	(  3  3  2)	  0  1
-     11.4500	  179.00	  168.64	 -890.63	  127.62	    140.9134	       0	(  4  2  2)	  0  1
-     11.5000	  178.00	  168.63	 -891.62	  127.61	    148.0833	       0	(  4  3  0)	  0  1
-     11.5500	  188.00	  168.62	 -881.61	  127.60	    148.0833	       0	(  5  0  0)	  0  1
-     11.6000	  176.00	  168.61	 -893.59	  127.58	    157.0780	       0	(  4  3  1)	  0  1
-     11.6500	  196.00	  168.60	 -873.58	  127.57	    157.0780	       0	(  5  1  0)	  0  1
-     11.7000	  182.00	  168.58	 -887.57	  127.56	    172.7110	       0	(  3  3  3)	  0  1
-     11.7500	  183.00	  168.57	 -886.56	  127.55	    172.7109	       0	(  5  1  1)	  0  1
-     11.8000	  195.00	  168.56	 -874.54	  127.53
-     11.8500	  144.00	  168.55	 -925.53	  127.52
-     11.9000	  178.00	  168.54	 -891.52	  127.51
-     11.9500	  175.00	  168.52	 -894.51	  127.50
-     12.0000	  200.00	  168.51	 -869.50	  127.48
-     12.0500	  157.00	  168.50	 -912.48	  127.47
-     12.1000	  195.00	  168.49	 -874.47	  127.46
-     12.1500	  164.00	  168.48	 -905.46	  127.45
-     12.2000	  188.00	  168.46	 -881.45	  127.44
-     12.2500	  168.00	  168.45	 -901.44	  127.42
-     12.3000	  191.00	  168.44	 -878.42	  127.41
-     12.3500	  178.00	  168.43	 -891.41	  127.40
-     12.4000	  182.00	  168.41	 -887.40	  127.39
-     12.4500	  174.00	  168.40	 -895.39	  127.37
-     12.5000	  171.00	  168.39	 -898.37	  127.36
-     12.5500	  174.00	  168.38	 -895.36	  127.35
-     12.6000	  184.00	  168.37	 -885.35	  127.34
-     12.6500	  164.00	  168.35	 -905.34	  127.33
-     12.7000	  166.00	  168.34	 -903.33	  127.31
-     12.7500	  177.00	  168.33	 -892.31	  127.30
-     12.8000	  174.00	  168.32	 -895.30	  127.29
-     12.8500	  187.00	  168.30	 -882.29	  127.28
-     12.9000	  183.00	  168.29	 -886.28	  127.26
-     12.9500	  187.00	  168.28	 -882.26	  127.25
-     13.0000	  175.00	  168.27	 -894.25	  127.24
-     13.0500	  165.00	  168.26	 -904.24	  127.23
-     13.1000	  177.00	  168.24	 -892.23	  127.22
-     13.1500	  182.00	  168.23	 -887.22	  127.20
-     13.2000	  195.00	  168.22	 -874.20	  127.19
-     13.2500	  163.00	  168.21	 -906.19	  127.18
-     13.3000	  180.00	  168.19	 -889.18	  127.17
-     13.3500	  171.00	  168.18	 -898.17	  127.15
-     13.4000	  182.00	  168.17	 -887.15	  127.14
-     13.4500	  179.00	  168.16	 -890.14	  127.13
-     13.5000	  161.00	  168.15	 -908.13	  127.12
-     13.5500	  156.00	  168.13	 -913.12	  127.11
-     13.6000	  197.00	  168.12	 -872.11	  127.09
-     13.6500	  167.00	  168.11	 -902.09	  127.08
-     13.7000	  180.00	  168.10	 -889.08	  127.07
-     13.7500	  182.00	  168.08	 -887.07	  127.06
-     13.8000	  176.00	  168.07	 -893.06	  127.04
-     13.8500	  153.00	  168.06	 -916.04	  127.03
-     13.9000	  179.00	  168.05	 -890.03	  127.02
-     13.9500	  156.00	  168.04	 -913.02	  127.01
-     14.0000	  187.00	  168.02	 -882.01	  127.00
-     14.0500	  170.00	  168.01	 -899.00	  126.98
-     14.1000	  185.00	  168.00	 -883.98	  126.97
-     14.1500	  180.00	  167.99	 -888.97	  126.96
-     14.2000	  167.00	  167.97	 -901.96	  126.95
-     14.2500	  159.00	  167.96	 -909.95	  126.93
-     14.3000	  152.00	  167.95	 -916.94	  126.92
-     14.3500	  173.00	  167.94	 -895.92	  126.91
-     14.4000	  169.00	  167.93	 -899.91	  126.90
-     14.4500	  185.00	  167.91	 -883.90	  126.88
-     14.5000	  168.00	  167.90	 -900.89	  126.87
-     14.5500	  193.00	  167.89	 -875.87	  126.86
-     14.6000	  177.00	  167.88	 -891.86	  126.85
-     14.6500	  161.00	  167.86	 -907.85	  126.84
-     14.7000	  180.00	  167.85	 -888.84	  126.82
-     14.7500	  165.00	  167.84	 -903.83	  126.81
-     14.8000	  178.00	  167.83	 -890.81	  126.80
-     14.8500	  157.00	  167.82	 -911.80	  126.79
-     14.9000	  163.00	  167.80	 -905.79	  126.77
-     14.9500	  143.00	  167.79	 -925.78	  126.76
-     15.0000	  155.00	  167.78	 -913.76	  126.75
-     15.0500	  168.00	  167.77	 -900.75	  126.74
-     15.1000	  160.00	  167.76	 -908.74	  126.73
-     15.1500	  155.00	  167.74	 -913.73	  126.71
-     15.2000	  203.00	  167.73	 -865.72	  126.70
-     15.2500	  164.00	  167.72	 -904.70	  126.69
-     15.3000	  158.00	  167.71	 -910.69	  126.68
-     15.3500	  152.00	  167.69	 -916.68	  126.66
-     15.4000	  173.00	  167.68	 -895.67	  126.65
-     15.4500	  160.00	  167.67	 -908.65	  126.64
-     15.5000	  172.00	  167.66	 -896.64	  126.63
-     15.5500	  164.00	  167.65	 -904.63	  126.62
-     15.6000	  163.00	  167.63	 -905.62	  126.60
-     15.6500	  173.00	  167.62	 -895.61	  126.59
-     15.7000	  177.00	  167.61	 -891.59	  126.58
-     15.7500	  184.00	  167.60	 -884.58	  126.57
-     15.8000	  173.00	  167.58	 -895.57	  126.55
-     15.8500	  182.00	  167.57	 -886.56	  126.54
-     15.9000	  156.00	  167.56	 -912.55	  126.53
-     15.9500	  152.00	  167.55	 -916.53	  126.52
-     16.0000	  201.00	  167.54	 -867.52	  126.50
-     16.0500	  156.00	  167.52	 -912.51	  126.49
-     16.1000	  169.00	  167.51	 -899.50	  126.48
-     16.1500	  178.00	  167.50	 -890.48	  126.47
-     16.2000	  150.00	  167.49	 -918.47	  126.46
-     16.2500	  163.00	  167.48	 -905.46	  126.44
-     16.3000	  165.00	  167.46	 -903.45	  126.43
-     16.3500	  160.00	  167.45	 -908.44	  126.42
-     16.4000	  171.00	  167.44	 -897.42	  126.41
-     16.4500	  168.00	  167.43	 -900.41	  126.39
-     16.5000	  159.00	  167.41	 -909.40	  126.38
-     16.5500	  166.00	  167.40	 -902.39	  126.37
-     16.6000	  156.00	  167.39	 -912.38	  126.36
-     16.6500	  156.00	  167.38	 -912.36	  126.35
-     16.7000	  154.00	  167.37	 -914.35	  126.33
-     16.7500	  173.00	  167.35	 -895.34	  126.32
-     16.8000	  173.00	  167.34	 -895.33	  126.31
-     16.8500	  161.00	  167.33	 -907.31	  126.30
-     16.9000	  177.00	  167.32	 -891.30	  126.28
-     16.9500	  159.00	  167.31	 -909.29	  126.27
-     17.0000	  162.00	  167.29	 -906.28	  126.26
-     17.0500	  166.00	  167.28	 -902.27	  126.25
-     17.1000	  167.00	  167.27	 -901.25	  126.24
-     17.1500	  166.00	  167.26	 -902.24	  126.22
-     17.2000	  168.00	  167.24	 -900.23	  126.21
-     17.2500	  188.00	  167.23	 -880.22	  126.20
-     17.3000	  165.00	  167.22	 -903.21	  126.19
-     17.3500	  171.00	  167.21	 -897.19	  126.17
-     17.4000	  171.00	  167.20	 -897.18	  126.16
-     17.4500	  162.00	  167.18	 -906.17	  126.15
-     17.5000	  161.00	  167.17	 -907.16	  126.14
-     17.5500	  177.00	  167.16	 -891.15	  126.13
-     17.6000	  176.00	  167.15	 -892.13	  126.11
-     17.6500	  175.00	  167.14	 -893.12	  126.10
-     17.7000	  140.00	  167.12	 -928.11	  126.09
-     17.7500	  177.00	  167.11	 -891.10	  126.08
-     17.8000	  150.00	  167.10	 -918.08	  126.06
-     17.8500	  154.00	  167.09	 -914.07	  126.05
-     17.9000	  138.00	  167.08	 -930.06	  126.04
-     17.9500	  161.00	  167.06	 -907.05	  126.03
-     18.0000	  171.00	  167.05	 -897.04	  126.02
-     18.0500	  144.00	  167.04	 -924.02	  126.00
-     18.1000	  148.00	  167.03	 -920.01	  125.99
-     18.1500	  169.00	  167.02	 -899.00	  125.98
-     18.2000	  162.00	  167.00	 -905.99	  125.97
-     18.2500	  171.00	  166.99	 -896.98	  125.95
-     18.3000	  155.00	  166.98	 -912.97	  125.94
-     18.3500	  143.00	  166.97	 -924.95	  125.93
-     18.4000	  162.00	  166.96	 -905.94	  125.92
-     18.4500	  177.00	  166.94	 -890.93	  125.90
-     18.5000	  158.00	  166.93	 -909.92	  125.89
-     18.5500	  142.00	  166.92	 -925.91	  125.88
-     18.6000	  153.00	  166.91	 -914.89	  125.87
-     18.6500	  169.00	  166.90	 -898.88	  125.86
-     18.7000	  144.00	  166.89	 -923.87	  125.84
-     18.7500	  171.00	  166.87	 -896.86	  125.83
-     18.8000	  159.00	  166.86	 -908.85	  125.82
-     18.8500	  169.00	  166.85	 -898.83	  125.81
-     18.9000	  163.00	  166.84	 -904.82	  125.79
-     18.9500	  154.00	  166.83	 -913.81	  125.78
-     19.0000	  146.00	  166.81	 -921.80	  125.77
-     19.0500	  154.00	  166.80	 -913.79	  125.76
-     19.1000	  156.00	  166.79	 -911.78	  125.75
-     19.1500	  195.00	  166.78	 -872.76	  125.73
-     19.2000	  154.00	  166.77	 -913.75	  125.72
-     19.2500	  167.00	  166.76	 -900.74	  125.71
-     19.3000	  156.00	  166.74	 -911.73	  125.70
-     19.3500	  148.00	  166.73	 -919.72	  125.68
-     19.4000	  173.00	  166.72	 -894.71	  125.67
-     19.4500	  155.00	  166.71	 -912.69	  125.66
-     19.5000	  146.00	  166.70	 -921.68	  125.65
-     19.5500	  173.00	  166.69	 -894.67	  125.64
-     19.6000	  179.00	  166.68	 -888.66	  125.62
-     19.6500	  152.00	  166.66	 -915.65	  125.61
-     19.7000	  182.00	  166.65	 -885.64	  125.60
-     19.7500	  183.00	  166.64	 -884.63	  125.59
-     19.8000	  150.00	  166.63	 -917.61	  125.57
-     19.8500	  155.00	  166.62	 -912.60	  125.56
-     19.9000	  158.00	  166.61	 -909.59	  125.55
-     19.9500	  161.00	  166.60	 -906.58	  125.54
-     20.0000	  164.00	  166.59	 -903.57	  125.53
-     20.0500	  166.00	  166.57	 -901.56	  125.51
-     20.1000	  172.00	  166.56	 -895.55	  125.50
-     20.1500	  148.00	  166.55	 -919.54	  125.49
-     20.2000	  161.00	  166.54	 -906.53	  125.48
-     20.2500	  160.00	  166.53	 -907.52	  125.46
-     20.3000	  185.00	  166.52	 -882.51	  125.45
-     20.3500	  165.00	  166.51	 -902.50	  125.44
-     20.4000	  155.00	  166.50	 -912.49	  125.43
-     20.4500	  172.00	  166.49	 -895.48	  125.41
-     20.5000	  170.00	  166.48	 -897.47	  125.40
-     20.5500	  180.00	  166.47	 -887.46	  125.39
-     20.6000	  184.00	  166.46	 -883.45	  125.38
-     20.6500	  164.00	  166.45	 -903.44	  125.37
-     20.7000	  177.00	  166.44	 -890.43	  125.35
-     20.7500	  150.00	  166.43	 -917.42	  125.34
-     20.8000	  176.00	  166.42	 -891.41	  125.33
-     20.8500	  174.00	  166.42	 -893.40	  125.32
-     20.9000	  173.00	  166.41	 -894.39	  125.30
-     20.9500	  167.00	  166.40	 -900.38	  125.29
-     21.0000	  158.00	  166.39	 -909.38	  125.28
-     21.0500	  174.00	  166.39	 -893.37	  125.27
-     21.1000	  160.00	  166.38	 -907.36	  125.26
-     21.1500	  174.00	  166.37	 -893.36	  125.24
-     21.2000	  160.00	  166.37	 -907.35	  125.23
-     21.2500	  182.00	  166.36	 -885.35	  125.22
-     21.3000	  155.00	  166.36	 -912.34	  125.21
-     21.3500	  182.00	  166.35	 -885.34	  125.19
-     21.4000	  157.00	  166.35	 -910.34	  125.18
-     21.4500	  174.00	  166.35	 -893.34	  125.17
-     21.5000	  173.00	  166.37	 -894.35	  125.16
-     21.5500	  165.00	  166.37	 -902.35	  125.15
-     21.6000	  182.00	  166.37	 -885.36	  125.13
-     21.6500	  176.00	  166.38	 -891.36	  125.12
-     21.7000	  150.00	  166.39	 -917.37	  125.11
-     21.7500	  162.00	  166.40	 -905.38	  125.10
-     21.8000	  172.00	  166.41	 -895.40	  125.08
-     21.8500	  162.00	  166.43	 -905.42	  125.07
-     21.9000	  171.00	  166.46	 -896.44	  125.06
-     21.9500	  165.00	  166.49	 -902.47	  125.05
-     22.0000	  180.00	  166.53	 -887.51	  125.03
-     22.0500	  167.00	  166.58	 -900.56	  125.02
-     22.1000	  159.00	  166.64	 -908.63	  125.01
-     22.1500	  159.00	  166.73	 -908.72	  125.00
-     22.2000	  160.00	  166.87	 -907.85	  124.99
-     22.2500	  174.00	  167.09	 -894.07	  124.97
-     22.3000	  175.00	  167.50	 -893.48	  124.96
-     22.3500	  172.00	  168.27	 -897.26	  124.95
-     22.4000	  176.00	  169.70	 -894.68	  124.94
-     22.4500	  140.00	  172.15	 -933.13	  124.92
-     22.5000	  163.00	  175.99	 -913.97	  124.91
-     22.5500	  180.00	  181.37	 -902.36	  124.90
-     22.6000	  211.00	  187.99	 -877.98	  124.89
-     22.6500	  190.00	  194.92	 -905.91	  124.88
-     22.7000	  179.00	  200.64	 -922.62	  124.86
-     22.7500	  195.00	  203.34	 -909.33	  124.85
-     22.8000	  198.00	  201.96	 -904.95	  124.84
-     22.8500	  181.00	  197.06	 -917.04	  124.83
-     22.9000	  203.00	  190.32	 -888.30	  124.81
-     22.9500	  193.00	  183.43	 -891.42	  124.80
-     23.0000	  155.00	  177.54	 -923.53	  124.79
-     23.0500	  159.00	  173.15	 -915.13	  124.78
-     23.1000	  184.00	  170.23	 -887.22	  124.77
-     23.1500	  145.00	  168.48	 -924.46	  124.75
-     23.2000	  145.00	  167.50	 -923.48	  124.74
-     23.2500	  179.00	  166.96	 -888.95	  124.73
-     23.3000	  185.00	  166.67	 -882.65	  124.72
-     23.3500	  168.00	  166.49	 -899.47	  124.70
-     23.4000	  185.00	  166.36	 -882.35	  124.69
-     23.4500	  170.00	  166.26	 -897.25	  124.68
-     23.5000	  174.00	  166.19	 -893.17	  124.67
-     23.5500	  164.00	  166.12	 -903.10	  124.66
-     23.6000	  168.00	  166.06	 -899.05	  124.64
-     23.6500	  185.00	  166.01	 -882.00	  124.63
-     23.7000	  183.00	  165.97	 -883.95	  124.62
-     23.7500	  172.00	  165.93	 -894.91	  124.61
-     23.8000	  156.00	  165.89	 -910.87	  124.59
-     23.8500	  182.00	  165.86	 -884.84	  124.58
-     23.9000	  182.00	  165.83	 -884.81	  124.57
-     23.9500	  149.00	  165.80	 -917.78	  124.56
-     24.0000	  160.00	  165.77	 -906.76	  124.55
-     24.0500	  168.00	  165.75	 -898.73	  124.53
-     24.1000	  178.00	  165.72	 -888.71	  124.52
-     24.1500	  169.00	  165.70	 -897.68	  124.51
-     24.2000	  172.00	  165.68	 -894.66	  124.50
-     24.2500	  170.00	  165.66	 -896.64	  124.48
-     24.3000	  161.00	  165.64	 -905.62	  124.47
-     24.3500	  168.00	  165.62	 -898.60	  124.46
-     24.4000	  162.00	  165.60	 -904.59	  124.45
-     24.4500	  157.00	  165.58	 -909.57	  124.43
-     24.5000	  162.00	  165.57	 -904.55	  124.42
-     24.5500	  159.00	  165.55	 -907.53	  124.41
-     24.6000	  168.00	  165.53	 -898.52	  124.40
-     24.6500	  170.00	  165.52	 -896.50	  124.39
-     24.7000	  166.00	  165.50	 -900.49	  124.37
-     24.7500	  146.00	  165.49	 -920.47	  124.36
-     24.8000	  154.00	  165.47	 -912.46	  124.35
-     24.8500	  154.00	  165.46	 -912.44	  124.34
-     24.9000	  198.00	  165.44	 -868.43	  124.32
-     24.9500	  195.00	  165.43	 -871.41	  124.31
-     25.0000	  148.00	  165.41	 -918.40	  124.30
-     25.0500	  161.00	  165.40	 -905.38	  124.29
-     25.1000	  160.00	  165.39	 -906.37	  124.28
-     25.1500	  160.00	  165.37	 -906.36	  124.26
-     25.2000	  149.00	  165.36	 -917.34	  124.25
-     25.2500	  179.00	  165.34	 -887.33	  124.24
-     25.3000	  174.00	  165.33	 -892.32	  124.23
-     25.3500	  168.00	  165.32	 -898.30	  124.21
-     25.4000	  146.00	  165.30	 -920.29	  124.20
-     25.4500	  160.00	  165.29	 -906.28	  124.19
-     25.5000	  145.00	  165.28	 -921.26	  124.18
-     25.5500	  151.00	  165.27	 -915.25	  124.17
-     25.6000	  161.00	  165.25	 -905.24	  124.15
-     25.6500	  187.00	  165.24	 -879.22	  124.14
-     25.7000	  154.00	  165.23	 -912.21	  124.13
-     25.7500	  157.00	  165.21	 -909.20	  124.12
-     25.8000	  169.00	  165.20	 -897.19	  124.10
-     25.8500	  181.00	  165.19	 -885.17	  124.09
-     25.9000	  156.00	  165.18	 -910.16	  124.08
-     25.9500	  185.00	  165.16	 -881.15	  124.07
-     26.0000	  192.00	  165.15	 -874.14	  124.06
-     26.0500	  153.00	  165.14	 -913.13	  124.04
-     26.1000	  149.00	  165.13	 -917.11	  124.03
-     26.1500	  154.00	  165.12	 -912.10	  124.02
-     26.2000	  152.00	  165.10	 -914.09	  124.01
-     26.2500	  179.00	  165.09	 -887.08	  123.99
-     26.3000	  180.00	  165.08	 -886.06	  123.98
-     26.3500	  160.00	  165.07	 -906.05	  123.97
-     26.4000	  174.00	  165.06	 -892.04	  123.96
-     26.4500	  145.00	  165.04	 -921.03	  123.94
-     26.5000	  171.00	  165.03	 -895.02	  123.93
-     26.5500	  162.00	  165.02	 -904.01	  123.92
-     26.6000	  154.00	  165.01	 -911.99	  123.91
-     26.6500	  153.00	  165.00	 -912.98	  123.90
-     26.7000	  162.00	  164.99	 -903.97	  123.88
-     26.7500	  160.00	  164.97	 -905.96	  123.87
-     26.8000	  150.00	  164.96	 -915.95	  123.86
-     26.8500	  189.00	  164.95	 -876.94	  123.85
-     26.9000	  168.00	  164.94	 -897.92	  123.83
-     26.9500	  144.00	  164.93	 -921.91	  123.82
-     27.0000	  147.00	  164.92	 -918.90	  123.81
-     27.0500	  155.00	  164.91	 -910.89	  123.80
-     27.1000	  174.00	  164.89	 -891.88	  123.79
-     27.1500	  169.00	  164.88	 -896.87	  123.77
-     27.2000	  174.00	  164.87	 -891.86	  123.76
-     27.2500	  164.00	  164.86	 -901.85	  123.75
-     27.3000	  146.00	  164.85	 -919.83	  123.74
-     27.3500	  149.00	  164.84	 -916.82	  123.72
-     27.4000	  155.00	  164.83	 -910.81	  123.71
-     27.4500	  155.00	  164.82	 -910.80	  123.70
-     27.5000	  168.00	  164.81	 -897.79	  123.69
-     27.5500	  131.00	  164.80	 -934.78	  123.68
-     27.6000	  159.00	  164.78	 -906.77	  123.66
-     27.6500	  181.00	  164.77	 -884.76	  123.65
-     27.7000	  146.00	  164.76	 -919.75	  123.64
-     27.7500	  188.00	  164.75	 -877.74	  123.63
-     27.8000	  162.00	  164.74	 -903.73	  123.61
-     27.8500	  161.00	  164.73	 -904.72	  123.60
-     27.9000	  176.00	  164.72	 -889.71	  123.59
-     27.9500	  152.00	  164.71	 -913.70	  123.58
-     28.0000	  170.00	  164.70	 -895.69	  123.57
-     28.0500	  152.00	  164.69	 -913.68	  123.55
-     28.1000	  158.00	  164.68	 -907.67	  123.54
-     28.1500	  168.00	  164.67	 -897.66	  123.53
-     28.2000	  161.00	  164.66	 -904.65	  123.52
-     28.2500	  184.00	  164.65	 -881.64	  123.50
-     28.3000	  166.00	  164.64	 -899.63	  123.49
-     28.3500	  193.00	  164.64	 -872.62	  123.48
-     28.4000	  157.00	  164.63	 -908.61	  123.47
-     28.4500	  167.00	  164.62	 -898.60	  123.45
-     28.5000	  158.00	  164.61	 -907.59	  123.44
-     28.5500	  135.00	  164.60	 -930.58	  123.43
-     28.6000	  150.00	  164.59	 -915.58	  123.42
-     28.6500	  167.00	  164.58	 -898.57	  123.41
-     28.7000	  161.00	  164.57	 -904.56	  123.39
-     28.7500	  157.00	  164.57	 -908.55	  123.38
-     28.8000	  153.00	  164.56	 -912.54	  123.37
-     28.8500	  161.00	  164.55	 -904.54	  123.36
-     28.9000	  163.00	  164.54	 -902.53	  123.34
-     28.9500	  133.00	  164.54	 -932.52	  123.33
-     29.0000	  169.00	  164.76	 -896.74	  123.32
-     29.0500	  162.00	  164.76	 -903.74	  123.31
-     29.1000	  161.00	  164.75	 -904.74	  123.30
-     29.1500	  163.00	  164.75	 -902.73	  123.28
-     29.2000	  144.00	  164.74	 -921.73	  123.27
-     29.2500	  178.00	  164.74	 -887.73	  123.26
-     29.3000	  161.00	  164.74	 -904.72	  123.25
-     29.3500	  141.00	  164.74	 -924.72	  123.23
-     29.4000	  169.00	  164.74	 -896.72	  123.22
-     29.4500	  160.00	  164.73	 -905.72	  123.21
-     29.5000	  177.00	  164.73	 -888.72	  123.20
-     29.5500	  174.00	  164.73	 -891.72	  123.19
-     29.6000	  157.00	  164.73	 -908.72	  123.17
-     29.6500	  176.00	  164.74	 -889.72	  123.16
-     29.7000	  179.00	  164.74	 -886.72	  123.15
-     29.7500	  166.00	  164.74	 -899.73	  123.14
-     29.8000	  162.00	  164.74	 -903.73	  123.12
-     29.8500	  147.00	  164.75	 -918.73	  123.11
-     29.9000	  152.00	  164.75	 -913.74	  123.10
-     29.9500	  171.00	  164.76	 -894.75	  123.09
-     30.0000	  178.00	  164.77	 -887.75	  123.08
-     30.0500	  208.00	  164.80	 -857.78	  123.08
-     30.1000	  178.00	  164.83	 -887.81	  123.09
-     30.1500	  149.00	  164.86	 -916.84	  123.10
-     30.2000	  181.00	  164.89	 -884.88	  123.10
-     30.2500	  162.00	  164.93	 -903.91	  123.11
-     30.3000	  177.00	  164.96	 -888.95	  123.12
-     30.3500	  165.00	  165.00	 -900.99	  123.12
-     30.4000	  177.00	  165.05	 -889.03	  123.13
-     30.4500	  158.00	  165.09	 -908.08	  123.14
-     30.5000	  157.00	  165.14	 -909.12	  123.15
-     30.5500	  163.00	  165.19	 -903.18	  123.15
-     30.6000	  144.00	  165.25	 -922.23	  123.16
-     30.6500	  156.00	  165.31	 -910.29	  123.17
-     30.7000	  176.00	  165.37	 -890.36	  123.17
-     30.7500	  179.00	  165.45	 -887.43	  123.18
-     30.8000	  174.00	  165.53	 -892.51	  123.19
-     30.8500	  182.00	  165.61	 -884.60	  123.19
-     30.9000	  161.00	  165.71	 -905.69	  123.20
-     30.9500	  166.00	  165.82	 -900.80	  123.21
-     31.0000	  168.00	  165.94	 -898.92	  123.22
-     31.0500	  153.00	  166.07	 -914.05	  123.22
-     31.1000	  156.00	  166.22	 -911.21	  123.23
-     31.1500	  174.00	  166.40	 -893.38	  123.24
-     31.2000	  167.00	  166.60	 -900.58	  123.24
-     31.2500	  192.00	  166.83	 -875.81	  123.25
-     31.3000	  154.00	  167.10	 -914.08	  123.26
-     31.3500	  166.00	  167.42	 -902.40	  123.26
-     31.4000	  169.00	  167.79	 -899.78	  123.27
-     31.4500	  185.00	  168.26	 -884.24	  123.28
-     31.5000	  165.00	  168.83	 -904.82	  123.29
-     31.5500	  163.00	  169.61	 -907.59	  123.29
-     31.6000	  173.00	  170.75	 -898.73	  123.30
-     31.6500	  169.00	  172.65	 -904.63	  123.31
-     31.7000	  188.00	  176.13	 -889.11	  123.31
-     31.7500	  195.00	  182.67	 -888.65	  123.32
-     31.8000	  195.00	  194.51	 -900.50	  123.33
-     31.8500	  221.00	  214.35	 -894.34	  123.33
-     31.9000	  229.00	  244.27	 -916.26	  123.34
-     31.9500	  302.00	  284.14	 -883.13	  123.35
-     32.0000	  327.00	  329.97	 -903.95	  123.36
-     32.0500	  380.00	  373.16	 -894.14	  123.36
-     32.1000	  358.00	  401.53	 -944.52	  123.37
-     32.1500	  394.00	  404.18	 -911.16	  123.38
-     32.2000	  373.00	  379.93	 -907.92	  123.38
-     32.2500	  362.00	  338.51	 -877.49	  123.39
-     32.3000	  306.00	  292.42	 -887.41	  123.40
-     32.3500	  276.00	  251.06	 -876.04	  123.41
-     32.4000	  237.00	  219.22	 -883.20	  123.41
-     32.4500	  203.00	  197.66	 -895.64	  123.42
-     32.5000	  178.00	  184.57	 -907.56	  123.43
-     32.5500	  199.00	  177.27	 -879.26	  123.43
-     32.6000	  167.00	  173.39	 -907.38	  123.44
-     32.6500	  185.00	  171.30	 -887.29	  123.45
-     32.7000	  180.00	  170.09	 -891.07	  123.45
-     32.7500	  178.00	  169.29	 -892.28	  123.46
-     32.8000	  145.00	  168.71	 -924.70	  123.47
-     32.8500	  176.00	  168.26	 -893.25	  123.48
-     32.9000	  177.00	  167.90	 -891.88	  123.48
-     32.9500	  182.00	  167.60	 -886.58	  123.49
-     33.0000	  167.00	  167.35	 -901.33	  123.50
-     33.0500	  152.00	  167.14	 -916.12	  123.50
-     33.1000	  144.00	  166.96	 -923.94	  123.51
-     33.1500	  170.00	  166.81	 -897.79	  123.52
-     33.2000	  156.00	  166.68	 -911.67	  123.52
-     33.2500	  154.00	  166.57	 -913.56	  123.53
-     33.3000	  180.00	  166.48	 -887.46	  123.54
-     33.3500	  176.00	  166.40	 -891.38	  123.55
-     33.4000	  183.00	  166.33	 -884.31	  123.55
-     33.4500	  162.00	  166.27	 -905.25	  123.56
-     33.5000	  180.00	  166.22	 -887.20	  123.57
-     33.5500	  165.00	  166.17	 -902.16	  123.57
-     33.6000	  174.00	  166.14	 -893.12	  123.58
-     33.6500	  179.00	  166.11	 -888.09	  123.59
-     33.7000	  152.00	  166.08	 -915.06	  123.59
-     33.7500	  182.00	  166.06	 -885.04	  123.60
-     33.8000	  184.00	  166.04	 -883.02	  123.61
-     33.8500	  166.00	  166.02	 -901.01	  123.62
-     33.9000	  182.00	  166.01	 -885.00	  123.62
-     33.9500	  162.00	  166.00	 -904.99	  123.63
-     34.0000	  174.00	  166.00	 -892.98	  123.64
-     34.0500	  153.00	  166.00	 -913.98	  123.64
-     34.1000	  182.00	  166.00	 -884.98	  123.65
-     34.1500	  180.00	  166.00	 -886.98	  123.66
-     34.2000	  167.00	  166.00	 -899.99	  123.67
-     34.2500	  173.00	  166.01	 -893.99	  123.67
-     34.3000	  153.00	  166.02	 -914.00	  123.68
-     34.3500	  160.00	  166.02	 -907.01	  123.69
-     34.4000	  180.00	  166.04	 -887.02	  123.69
-     34.4500	  168.00	  166.05	 -899.03	  123.70
-     34.5000	  167.00	  166.06	 -900.05	  123.71
-     34.5500	  176.00	  166.08	 -891.06	  123.71
-     34.6000	  165.00	  166.09	 -902.08	  123.72
-     34.6500	  174.00	  166.11	 -893.10	  123.73
-     34.7000	  161.00	  166.13	 -906.12	  123.74
-     34.7500	  178.00	  166.15	 -889.14	  123.74
-     34.8000	  170.00	  166.17	 -897.16	  123.75
-     34.8500	  166.00	  166.20	 -901.18	  123.76
-     34.9000	  173.00	  166.26	 -894.25	  123.76
-     34.9500	  158.00	  166.29	 -909.27	  123.77
-     35.0000	  166.00	  166.32	 -901.30	  123.78
-     35.0500	  170.00	  166.34	 -897.33	  123.78
-     35.1000	  162.00	  166.37	 -905.36	  123.79
-     35.1500	  183.00	  166.40	 -884.39	  123.80
-     35.2000	  176.00	  166.44	 -891.42	  123.81
-     35.2500	  171.00	  166.47	 -896.46	  123.81
-     35.3000	  174.00	  166.51	 -893.49	  123.82
-     35.3500	  179.00	  166.54	 -888.53	  123.83
-     35.4000	  176.00	  166.58	 -891.57	  123.83
-     35.4500	  193.00	  166.83	 -874.81	  123.84
-     35.5000	  180.00	  166.87	 -887.86	  123.85
-     35.5500	  188.00	  166.92	 -879.90	  123.85
-     35.6000	  177.00	  166.97	 -890.95	  123.86
-     35.6500	  176.00	  167.02	 -892.00	  123.87
-     35.7000	  171.00	  167.07	 -897.05	  123.88
-     35.7500	  185.00	  167.12	 -883.11	  123.88
-     35.8000	  178.00	  167.18	 -890.16	  123.89
-     35.8500	  152.00	  167.23	 -916.22	  123.90
-     35.9000	  160.00	  167.29	 -908.28	  123.90
-     35.9500	  187.00	  167.36	 -881.34	  123.91
-     36.0000	  167.00	  167.42	 -901.41	  123.92
-     36.0500	  181.00	  167.49	 -887.47	  123.93
-     36.1000	  166.00	  167.56	 -902.55	  123.93
-     36.1500	  165.00	  167.63	 -903.62	  123.94
-     36.2000	  170.00	  167.71	 -898.70	  123.95
-     36.2500	  197.00	  167.79	 -871.78	  123.95
-     36.3000	  179.00	  167.88	 -889.86	  123.96
-     36.3500	  172.00	  167.96	 -896.95	  123.97
-     36.4000	  181.00	  168.06	 -888.04	  123.97
-     36.4500	  174.00	  168.15	 -895.14	  123.98
-     36.5000	  162.00	  168.25	 -907.24	  123.99
-     36.5500	  166.00	  168.36	 -903.34	  124.00
-     36.6000	  158.00	  168.47	 -911.46	  124.00
-     36.6500	  199.00	  168.59	 -870.57	  124.01
-     36.7000	  188.00	  168.71	 -881.70	  124.02
-     36.7500	  177.00	  168.84	 -892.82	  124.02
-     36.8000	  167.00	  168.98	 -902.96	  124.03
-     36.8500	  156.00	  169.12	 -914.11	  124.04
-     36.9000	  174.00	  169.27	 -896.26	  124.04
-     36.9500	  176.00	  169.43	 -894.42	  124.05
-     37.0000	  152.00	  169.60	 -918.59	  124.06
-     37.0500	  191.00	  169.78	 -879.77	  124.07
-     37.1000	  151.00	  169.97	 -919.96	  124.07
-     37.1500	  202.00	  170.18	 -869.16	  124.08
-     37.2000	  191.00	  170.39	 -880.38	  124.09
-     37.2500	  161.00	  170.62	 -910.61	  124.09
-     37.3000	  199.00	  170.87	 -872.85	  124.10
-     37.3500	  175.00	  171.13	 -897.12	  124.11
-     37.4000	  146.00	  171.41	 -926.40	  124.11
-     37.4500	  181.00	  171.71	 -891.70	  124.12
-     37.5000	  221.00	  172.04	 -852.02	  124.13
-     37.5500	  194.00	  172.39	 -879.37	  124.14
-     37.6000	  158.00	  172.76	 -915.75	  124.14
-     37.6500	  171.00	  173.17	 -903.15	  124.15
-     37.7000	  172.00	  173.61	 -902.59	  124.16
-     37.7500	  168.00	  174.08	 -907.07	  124.16
-     37.8000	  192.00	  174.60	 -883.59	  124.17
-     37.8500	  185.00	  175.17	 -891.16	  124.18
-     37.9000	  193.00	  175.79	 -883.78	  124.18
-     37.9500	  178.00	  176.47	 -899.46	  124.19
-     38.0000	  195.00	  177.22	 -883.21	  124.20
-     38.0500	  175.00	  178.05	 -904.04	  124.21
-     38.1000	  178.00	  178.97	 -901.95	  124.21
-     38.1500	  173.00	  179.99	 -907.97	  124.22
-     38.2000	  195.00	  181.13	 -887.11	  124.23
-     38.2500	  194.00	  182.40	 -889.39	  124.23
-     38.3000	  191.00	  183.84	 -893.83	  124.24
-     38.3500	  178.00	  185.47	 -908.46	  124.25
-     38.4000	  184.00	  187.33	 -904.31	  124.26
-     38.4500	  186.00	  189.45	 -904.43	  124.26
-     38.5000	  202.00	  191.89	 -890.88	  124.27
-     38.5500	  200.00	  194.73	 -895.71	  124.28
-     38.6000	  210.00	  198.04	 -889.02	  124.28
-     38.6500	  198.00	  201.94	 -904.93	  124.29
-     38.7000	  225.00	  206.58	 -882.57	  124.30
-     38.7500	  209.00	  212.16	 -904.15	  124.30
-     38.8000	  229.00	  219.01	 -890.99	  124.31
-     38.8500	  197.00	  227.67	 -931.65	  124.32
-     38.9000	  220.00	  239.34	 -920.33	  124.33
-     38.9500	  215.00	  256.78	 -942.76	  124.33
-     39.0000	  242.00	  286.26	 -945.25	  124.34
-     39.0500	  340.00	  340.80	 -901.78	  124.35
-     39.1000	  441.00	  443.79	 -903.78	  124.35
-     39.1500	  654.00	  630.22	 -877.21	  124.36
-     39.2000	  962.00	  940.24	 -879.23	  124.37
-     39.2500	 1477.00	 1401.76	 -825.75	  124.37
-     39.3000	 2012.00	 2004.35	 -893.33	  124.38
-     39.3500	 2634.00	 2675.40	 -942.38	  124.39
-     39.4000	 3115.00	 3271.91	-1057.90	  124.40
-     39.4500	 3467.00	 3603.94	-1037.92	  124.40
-     39.5000	 3532.00	 3531.27	 -900.25	  124.41
-     39.5500	 3337.00	 3087.07	 -651.06	  124.42
-     39.6000	 2595.00	 2444.87	 -750.86	  124.42
-     39.6500	 1943.00	 1784.73	 -742.72	  124.43
-     39.7000	 1251.00	 1225.99	 -875.97	  124.44
-     39.7500	  828.00	  817.82	 -890.81	  124.44
-     39.8000	  525.00	  554.48	 -930.47	  124.45
-     39.8500	  377.00	  401.25	 -925.23	  124.46
-     39.9000	  294.00	  318.31	 -925.30	  124.47
-     39.9500	  233.00	  274.46	 -942.44	  124.47
-     40.0000	  233.00	  250.19	 -918.17	  124.48
-     40.0500	  253.00	  235.23	 -883.22	  124.49
-     40.1000	  253.00	  224.83	 -872.82	  124.49
-     40.1500	  213.00	  216.92	 -904.90	  124.50
-     40.2000	  196.00	  210.58	 -915.57	  124.51
-     40.2500	  222.00	  205.38	 -884.37	  124.52
-     40.3000	  172.00	  201.05	 -930.03	  124.52
-     40.3500	  218.00	  197.40	 -880.38	  124.53
-     40.4000	  206.00	  194.29	 -889.28	  124.54
-     40.4500	  195.00	  191.63	 -897.62	  124.54
-     40.5000	  209.00	  189.34	 -881.33	  124.55
-     40.5500	  192.00	  187.35	 -896.33	  124.56
-     40.6000	  197.00	  185.61	 -889.60	  124.56
-     40.6500	  188.00	  184.09	 -897.07	  124.57
-     40.7000	  202.00	  182.74	 -881.73	  124.58
-     40.7500	  208.00	  181.55	 -874.53	  124.59
-     40.8000	  184.00	  180.49	 -897.47	  124.59
-     40.8500	  177.00	  179.54	 -903.53	  124.60
-     40.9000	  202.00	  178.69	 -877.68	  124.61
-     40.9500	  198.00	  177.93	 -880.91	  124.61
-     41.0000	  203.00	  177.24	 -875.23	  124.62
-     41.0500	  193.00	  176.62	 -884.61	  124.63
-     41.1000	  188.00	  176.06	 -889.04	  124.63
-     41.1500	  211.00	  175.55	 -865.53	  124.64
-     41.2000	  189.00	  175.08	 -887.07	  124.65
-     41.2500	  200.00	  174.66	 -875.64	  124.66
-     41.3000	  198.00	  174.27	 -877.26	  124.66
-     41.3500	  203.00	  173.92	 -871.90	  124.67
-     41.4000	  197.00	  173.60	 -877.58	  124.68
-     41.4500	  190.00	  173.30	 -884.28	  124.68
-     41.5000	  212.00	  173.03	 -862.01	  124.69
-     41.5500	  185.00	  172.78	 -888.76	  124.70
-     41.6000	  228.00	  172.55	 -845.53	  124.70
-     41.6500	  167.00	  172.34	 -906.33	  124.71
-     41.7000	  207.00	  172.15	 -866.13	  124.72
-     41.7500	  187.00	  171.97	 -885.96	  124.73
-     41.8000	  190.00	  171.81	 -882.80	  124.73
-     41.8500	  192.00	  171.66	 -880.65	  124.74
-     41.9000	  185.00	  171.53	 -887.51	  124.75
-     41.9500	  161.00	  171.41	 -911.39	  124.75
-     42.0000	  187.00	  171.30	 -885.28	  124.76
-     42.0500	  191.00	  171.20	 -881.18	  124.77
-     42.1000	  159.00	  171.11	 -913.09	  124.78
-     42.1500	  170.00	  171.02	 -902.01	  124.78
-     42.2000	  182.00	  170.95	 -889.94	  124.79
-     42.2500	  186.00	  170.89	 -885.87	  124.80
-     42.3000	  192.00	  170.83	 -879.82	  124.80
-     42.3500	  178.00	  170.79	 -893.77	  124.81
-     42.4000	  186.00	  170.75	 -885.73	  124.82
-     42.4500	  180.00	  170.72	 -891.70	  124.82
-     42.5000	  178.00	  170.69	 -893.68	  124.83
-     42.5500	  182.00	  170.68	 -889.66	  124.84
-     42.6000	  179.00	  170.67	 -892.65	  124.85
-     42.6500	  203.00	  170.66	 -868.65	  124.85
-     42.7000	  191.00	  170.67	 -880.65	  124.86
-     42.7500	  207.00	  170.68	 -864.66	  124.87
-     42.8000	  183.00	  170.70	 -888.68	  124.87
-     42.8500	  180.00	  170.71	 -891.69	  124.88
-     42.9000	  191.00	  170.74	 -880.73	  124.89
-     42.9500	  187.00	  170.78	 -884.77	  124.89
-     43.0000	  184.00	  170.83	 -887.82	  124.90
-     43.0500	  182.00	  170.89	 -889.87	  124.91
-     43.1000	  178.00	  170.95	 -893.94	  124.92
-     43.1500	  169.00	  171.02	 -903.01	  124.92
-     43.2000	  158.00	  171.11	 -914.09	  124.93
-     43.2500	  180.00	  171.20	 -892.18	  124.94
-     43.3000	  174.00	  171.30	 -898.28	  124.94
-     43.3500	  184.00	  171.41	 -888.39	  124.95
-     43.4000	  178.00	  171.53	 -894.52	  124.96
-     43.4500	  180.00	  171.67	 -892.65	  124.96
-     43.5000	  144.00	  171.81	 -928.80	  124.97
-     43.5500	  169.00	  171.97	 -903.96	  124.98
-     43.6000	  177.00	  172.15	 -896.13	  124.99
-     43.6500	  156.00	  172.34	 -917.32	  124.99
-     43.7000	  148.00	  172.54	 -925.53	  125.00
-     43.7500	  159.00	  172.77	 -914.75	  125.01
-     43.8000	  195.00	  173.01	 -879.00	  125.01
-     43.8500	  186.00	  173.28	 -888.26	  125.02
-     43.9000	  180.00	  173.57	 -894.56	  125.03
-     43.9500	  192.00	  173.89	 -882.87	  125.03
-     44.0000	  186.00	  174.24	 -889.22	  125.04
-     44.0500	  180.00	  174.62	 -895.60	  125.05
-     44.1000	  174.00	  175.04	 -902.02	  125.06
-     44.1500	  181.00	  175.49	 -895.48	  125.06
-     44.2000	  178.00	  176.00	 -898.98	  125.07
-     44.2500	  189.00	  176.55	 -888.54	  125.08
-     44.3000	  206.00	  177.17	 -872.15	  125.08
-     44.3500	  183.00	  177.85	 -895.83	  125.09
-     44.4000	  161.00	  178.61	 -918.59	  125.10
-     44.4500	  170.00	  179.45	 -910.44	  125.11
-     44.5000	  203.00	  180.40	 -878.38	  125.11
-     44.5500	  168.00	  181.46	 -914.44	  125.12
-     44.6000	  199.00	  182.65	 -884.64	  125.13
-     44.6500	  192.00	  184.01	 -893.00	  125.13
-     44.7000	  192.00	  185.56	 -894.54	  125.14
-     44.7500	  200.00	  187.32	 -888.31	  125.15
-     44.8000	  206.00	  189.36	 -884.35	  125.15
-     44.8500	  193.00	  191.72	 -899.71	  125.16
-     44.9000	  188.00	  194.48	 -907.46	  125.17
-     44.9500	  200.00	  197.72	 -898.71	  125.18
-     45.0000	  193.00	  201.57	 -909.56	  125.18
-     45.0500	  203.00	  206.19	 -904.17	  125.19
-     45.1000	  212.00	  211.81	 -900.79	  125.20
-     45.1500	  197.00	  218.81	 -922.79	  125.20
-     45.2000	  219.00	  227.94	 -909.93	  125.21
-     45.2500	  219.00	  240.91	 -922.89	  125.22
-     45.3000	  226.00	  261.66	 -936.64	  125.22
-     45.3500	  282.00	  298.84	 -917.82	  125.23
-     45.4000	  353.00	  369.19	 -917.17	  125.24
-     45.4500	  469.00	  500.01	 -931.99	  125.25
-     45.5000	  741.00	  726.86	 -886.84	  125.25
-     45.5500	 1176.00	 1081.60	 -806.59	  125.26
-     45.6000	 1577.00	 1570.62	 -894.61	  125.27
-     45.6500	 2122.00	 2151.11	 -930.09	  125.27
-     45.7000	 2726.00	 2716.07	 -891.05	  125.28
-     45.7500	 2990.00	 3102.46	-1013.45	  125.29
-     45.8000	 2991.00	 3153.72	-1063.70	  125.29
-     45.8500	 2796.00	 2845.66	 -950.65	  125.30
-     45.9000	 2372.00	 2311.22	 -840.20	  125.31
-     45.9500	 1752.00	 1721.71	 -870.69	  125.32
-     46.0000	 1209.00	 1201.15	 -893.14	  125.32
-     46.0500	  824.00	  809.09	 -886.07	  125.33
-     46.1000	  512.00	  550.26	 -939.24	  125.34
-     46.1500	  353.00	  397.13	 -945.11	  125.34
-     46.2000	  273.00	  313.59	 -941.57	  125.35
-     46.2500	  259.00	  269.50	 -911.49	  125.36
-     46.3000	  233.00	  245.43	 -913.42	  125.37
-     46.3500	  220.00	  230.89	 -911.88	  125.37
-     46.4000	  228.00	  220.94	 -893.93	  125.38
-     46.4500	  231.00	  213.46	 -883.44	  125.39
-     46.5000	  218.00	  207.51	 -890.49	  125.39
-     46.5500	  210.00	  202.65	 -893.64	  125.40
-     46.6000	  212.00	  198.61	 -887.59	  125.41
-     46.6500	  187.00	  195.21	 -909.19	  125.41
-     46.7000	  207.00	  192.32	 -886.31	  125.42
-     46.7500	  212.00	  189.85	 -878.84	  125.43
-     46.8000	  188.00	  187.72	 -900.71	  125.44
-     46.8500	  178.00	  185.88	 -908.86	  125.44
-     46.9000	  186.00	  184.27	 -899.25	  125.45
-     46.9500	  192.00	  182.85	 -891.84	  125.46
-     47.0000	  192.00	  181.61	 -890.59	  125.46
-     47.0500	  186.00	  180.50	 -895.48	  125.47
-     47.1000	  208.00	  179.51	 -872.50	  125.48
-     47.1500	  199.00	  178.63	 -880.62	  125.48
-     47.2000	  165.00	  177.84	 -913.83	  125.49
-     47.2500	  212.00	  177.13	 -866.11	  125.50
-     47.3000	  191.00	  176.48	 -886.47	  125.51
-     47.3500	  185.00	  175.90	 -891.88	  125.51
-     47.4000	  171.00	  175.37	 -905.35	  125.52
-     47.4500	  176.00	  174.88	 -899.87	  125.53
-     47.5000	  179.00	  174.44	 -896.42	  125.53
-     47.5500	  187.00	  174.03	 -888.02	  125.54
-     47.6000	  181.00	  173.66	 -893.64	  125.55
-     47.6500	  173.00	  173.31	 -901.30	  125.55
-     47.7000	  167.00	  173.00	 -906.98	  125.56
-     47.7500	  182.00	  172.70	 -891.69	  125.57
-     47.8000	  171.00	  172.43	 -902.42	  125.58
-     47.8500	  185.00	  172.18	 -888.16	  125.58
-     47.9000	  177.00	  171.95	 -895.93	  125.59
-     47.9500	  154.00	  171.73	 -918.71	  125.60
-     48.0000	  200.00	  171.52	 -872.51	  125.60
-     48.0500	  177.00	  171.33	 -895.32	  125.61
-     48.1000	  184.00	  171.16	 -888.14	  125.62
-     48.1500	  166.00	  170.99	 -905.97	  125.63
-     48.2000	  181.00	  170.83	 -890.82	  125.63
-     48.2500	  208.00	  170.69	 -863.67	  125.64
-     48.3000	  186.00	  170.55	 -885.54	  125.65
-     48.3500	  164.00	  170.42	 -907.41	  125.65
-     48.4000	  196.00	  170.30	 -875.29	  125.66
-     48.4500	  169.00	  170.19	 -902.17	  125.67
-     48.5000	  173.00	  170.08	 -898.06	  125.67
-     48.5500	  200.00	  169.98	 -870.96	  125.68
-     48.6000	  163.00	  169.88	 -907.87	  125.69
-     48.6500	  173.00	  169.79	 -897.78	  125.70
-     48.7000	  187.00	  169.70	 -883.69	  125.70
-     48.7500	  177.00	  169.62	 -893.61	  125.71
-     48.8000	  200.00	  169.55	 -870.53	  125.72
-     48.8500	  171.00	  169.47	 -899.46	  125.72
-     48.9000	  192.00	  169.41	 -878.39	  125.73
-     48.9500	  178.00	  169.34	 -892.32	  125.74
-     49.0000	  169.00	  169.28	 -901.26	  125.74
-     49.0500	  160.00	  169.22	 -910.20	  125.75
-     49.1000	  182.00	  169.16	 -888.15	  125.76
-     49.1500	  173.00	  169.11	 -897.10	  125.77
-     49.2000	  170.00	  169.06	 -900.04	  125.77
-     49.2500	  181.00	  169.01	 -889.00	  125.78
-     49.3000	  170.00	  168.97	 -899.95	  125.79
-     49.3500	  164.00	  168.92	 -905.91	  125.79
-     49.4000	  166.00	  168.88	 -903.87	  125.80
-     49.4500	  174.00	  168.84	 -895.83	  125.81
-     49.5000	  173.00	  168.81	 -896.79	  125.81
-     49.5500	  137.00	  168.77	 -932.76	  125.82
-     49.6000	  166.00	  168.74	 -903.73	  125.83
-     49.6500	  194.00	  168.71	 -875.69	  125.84
-     49.7000	  160.00	  168.68	 -909.66	  125.84
-     49.7500	  152.00	  168.65	 -917.64	  125.85
-     49.8000	  180.00	  168.63	 -889.61	  125.86
-     49.8500	  160.00	  168.60	 -909.59	  125.86
-     49.9000	  149.00	  168.58	 -920.56	  125.87
-     49.9500	  172.00	  168.33	 -897.31	  125.88
-     50.0000	  170.00	  168.31	 -899.30	  125.89
-     50.0500	  175.00	  168.30	 -894.28	  125.89
-     50.1000	  162.00	  168.28	 -907.27	  125.90
-     50.1500	  168.00	  168.27	 -901.25	  125.91
-     50.2000	  186.00	  168.26	 -883.24	  125.91
-     50.2500	  179.00	  168.25	 -890.23	  125.92
-     50.3000	  165.00	  168.24	 -904.23	  125.93
-     50.3500	  155.00	  168.24	 -914.22	  125.93
-     50.4000	  170.00	  168.23	 -899.22	  125.94
-     50.4500	  162.00	  168.23	 -907.22	  125.95
-     50.5000	  157.00	  168.24	 -912.22	  125.95
-     50.5500	  173.00	  168.24	 -896.23	  125.96
-     50.6000	  149.00	  168.25	 -920.23	  125.97
-     50.6500	  167.00	  168.26	 -902.25	  125.98
-     50.7000	  165.00	  168.28	 -904.27	  125.98
-     50.7500	  157.00	  168.31	 -912.29	  125.99
-     50.8000	  177.00	  168.34	 -892.33	  126.00
-     50.8500	  187.00	  168.39	 -882.38	  126.00
-     50.9000	  155.00	  168.46	 -914.44	  126.01
-     50.9500	  194.00	  168.56	 -875.54	  126.02
-     51.0000	  147.00	  168.72	 -922.71	  126.02
-     51.0500	  169.00	  169.04	 -901.02	  126.03
-     51.1000	  166.00	  169.64	 -904.62	  126.04
-     51.1500	  193.00	  170.75	 -878.73	  126.05
-     51.2000	  168.00	  172.64	 -905.63	  126.05
-     51.2500	  188.00	  175.53	 -888.52	  126.06
-     51.3000	  182.00	  179.40	 -898.39	  126.07
-     51.3500	  180.00	  183.81	 -904.80	  126.07
-     51.4000	  177.00	  187.82	 -911.81	  126.08
-     51.4500	  188.00	  190.12	 -903.11	  126.09
-     51.5000	  187.00	  189.69	 -903.67	  126.09
-     51.5500	  178.00	  186.74	 -909.72	  126.10
-     51.6000	  177.00	  182.48	 -906.46	  126.11
-     51.6500	  184.00	  178.14	 -895.13	  126.11
-     51.7000	  172.00	  174.53	 -903.51	  126.12
-     51.7500	  188.00	  171.94	 -884.92	  126.13
-     51.8000	  194.00	  170.29	 -877.28	  126.14
-     51.8500	  179.00	  169.35	 -891.34	  126.14
-     51.9000	  176.00	  168.85	 -893.84	  126.15
-     51.9500	  180.00	  168.58	 -889.57	  126.16
-     52.0000	  169.00	  168.43	 -900.42	  126.16
-     52.0500	  178.00	  168.34	 -891.32	  126.17
-     52.1000	  165.00	  168.27	 -904.25	  126.18
-     52.1500	  149.00	  168.22	 -920.20	  126.18
-     52.2000	  168.00	  168.17	 -901.16	  126.19
-     52.2500	  157.00	  168.14	 -912.13	  126.20
-     52.3000	  151.00	  168.11	 -918.10	  126.21
-     52.3500	  181.00	  168.09	 -888.07	  126.21
-     52.4000	  172.00	  168.07	 -897.05	  126.22
-     52.4500	  178.00	  168.05	 -891.04	  126.23
-     52.5000	  179.00	  168.04	 -890.02	  126.23
-     52.5500	  171.00	  168.03	 -898.01	  126.24
-     52.6000	  129.00	  168.02	 -940.00	  126.25
-     52.6500	  180.00	  168.01	 -888.99	  126.25
-     52.7000	  154.00	  168.00	 -914.99	  126.26
-     52.7500	  182.00	  168.00	 -886.98	  126.27
-     52.8000	  166.00	  167.99	 -902.98	  126.28
-     52.8500	  156.00	  167.99	 -912.97	  126.28
-     52.9000	  164.00	  167.99	 -904.97	  126.29
-     52.9500	  166.00	  167.99	 -902.97	  126.30
-     53.0000	  176.00	  167.99	 -892.97	  126.30
-     53.0500	  182.00	  167.99	 -886.97	  126.31
-     53.1000	  173.00	  167.99	 -895.97	  126.32
-     53.1500	  160.00	  167.99	 -908.97	  126.32
-     53.2000	  169.00	  167.99	 -899.97	  126.33
-     53.2500	  162.00	  167.99	 -906.98	  126.34
-     53.3000	  164.00	  167.99	 -904.98	  126.34
-     53.3500	  165.00	  168.00	 -903.98	  126.35
-     53.4000	  177.00	  168.00	 -891.98	  126.36
-     53.4500	  173.00	  168.00	 -895.99	  126.37
-     53.5000	  158.00	  168.01	 -910.99	  126.37
-     53.5500	  164.00	  168.01	 -905.00	  126.38
-     53.6000	  175.00	  168.02	 -894.00	  126.39
-     53.6500	  166.00	  168.02	 -903.01	  126.39
-     53.7000	  161.00	  168.03	 -908.02	  126.40
-     53.7500	  167.00	  168.04	 -902.02	  126.41
-     53.8000	  136.00	  168.05	 -933.03	  126.41
-     53.8500	  167.00	  168.05	 -902.04	  126.42
-     53.9000	  152.00	  168.06	 -917.05	  126.43
-     53.9500	  159.00	  168.07	 -910.05	  126.44
-     54.0000	  172.00	  168.08	 -897.06	  126.44
-     54.0500	  179.00	  168.09	 -890.07	  126.45
-     54.1000	  169.00	  168.10	 -900.08	  126.46
-     54.1500	  165.00	  168.11	 -904.09	  126.46
-     54.2000	  166.00	  168.12	 -903.11	  126.47
-     54.2500	  162.00	  168.13	 -907.12	  126.48
-     54.3000	  175.00	  168.15	 -894.13	  126.48
-     54.3500	  162.00	  168.16	 -907.14	  126.49
-     54.4000	  145.00	  168.17	 -924.16	  126.50
-     54.4500	  148.00	  168.19	 -921.17	  126.51
-     54.5000	  157.00	  168.21	 -912.19	  126.51
-     54.5500	  176.00	  168.22	 -893.21	  126.52
-     54.6000	  162.00	  168.24	 -907.23	  126.53
-     54.6500	  153.00	  168.26	 -916.25	  126.53
-     54.7000	  178.00	  168.28	 -891.27	  126.54
-     54.7500	  147.00	  168.30	 -922.29	  126.55
-     54.8000	  146.00	  168.33	 -923.31	  126.55
-     54.8500	  170.00	  168.35	 -899.34	  126.56
-     54.9000	  155.00	  168.38	 -914.36	  126.57
-     54.9500	  170.00	  168.41	 -899.39	  126.57
-     55.0000	  142.00	  168.44	 -927.43	  126.58
-     55.0500	  154.00	  168.47	 -915.46	  126.59
-     55.1000	  150.00	  168.51	 -919.50	  126.60
-     55.1500	  145.00	  168.55	 -924.54	  126.60
-     55.2000	  151.00	  168.60	 -918.58	  126.61
-     55.2500	  162.00	  168.64	 -907.63	  126.62
-     55.3000	  153.00	  168.70	 -916.68	  126.62
-     55.3500	  170.00	  168.75	 -899.74	  126.63
-     55.4000	  153.00	  168.82	 -916.80	  126.64
-     55.4500	  156.00	  168.89	 -913.87	  126.64
-     55.5000	  163.00	  168.97	 -906.95	  126.65
-     55.5500	  149.00	  169.06	 -921.04	  126.66
-     55.6000	  135.00	  169.16	 -935.14	  126.67
-     55.6500	  158.00	  169.27	 -912.25	  126.67
-     55.7000	  144.00	  169.40	 -926.38	  126.68
-     55.7500	  152.00	  169.55	 -918.53	  126.69
-     55.8000	  165.00	  169.72	 -905.70	  126.69
-     55.8500	  164.00	  169.92	 -906.90	  126.70
-     55.9000	  175.00	  170.15	 -896.13	  126.71
-     55.9500	  150.00	  170.42	 -921.41	  126.71
-     56.0000	  168.00	  170.76	 -903.74	  126.72
-     56.0500	  159.00	  171.16	 -913.14	  126.73
-     56.1000	  187.00	  171.65	 -885.64	  126.73
-     56.1500	  170.00	  172.10	 -903.08	  126.74
-     56.2000	  159.00	  173.01	 -914.99	  126.75
-     56.2500	  148.00	  174.67	 -927.65	  126.76
-     56.3000	  159.00	  177.22	 -919.20	  126.76
-     56.3500	  174.00	  182.02	 -909.01	  126.77
-     56.4000	  195.00	  190.96	 -896.94	  126.78
-     56.4500	  219.00	  206.47	 -888.45	  126.78
-     56.5000	  216.00	  230.72	 -915.70	  126.79
-     56.5500	  271.00	  264.06	 -894.04	  126.80
-     56.6000	  337.00	  303.33	 -867.32	  126.80
-     56.6500	  417.00	  340.87	 -824.85	  126.81
-     56.7000	  390.00	  365.04	 -876.02	  126.82
-     56.7500	  414.00	  365.38	 -852.37	  126.83
-     56.8000	  388.00	  341.74	 -854.72	  126.83
-     56.8500	  317.00	  304.42	 -888.40	  126.84
-     56.9000	  307.00	  265.09	 -859.07	  126.85
-     56.9500	  250.00	  231.55	 -882.53	  126.85
-     57.0000	  205.00	  207.08	 -903.06	  126.86
-     57.0500	  167.00	  191.39	 -925.37	  126.87
-     57.1000	  179.00	  182.33	 -904.32	  126.87
-     57.1500	  159.00	  177.47	 -919.45	  126.88
-     57.2000	  170.00	  174.89	 -905.88	  126.89
-     57.2500	  168.00	  173.45	 -906.44	  126.90
-     57.3000	  180.00	  172.55	 -893.54	  126.90
-     57.3500	  144.00	  171.92	 -928.90	  126.91
-     57.4000	  178.00	  171.43	 -894.41	  126.92
-     57.4500	  203.00	  171.04	 -869.03	  126.92
-     57.5000	  159.00	  170.72	 -912.71	  126.93
-     57.5500	  165.00	  170.46	 -906.45	  126.94
-     57.6000	  164.00	  170.24	 -907.23	  126.94
-     57.6500	  135.00	  170.06	 -936.04	  126.95
-     57.7000	  157.00	  169.90	 -913.89	  126.96
-     57.7500	  162.00	  169.77	 -908.75	  126.96
-     57.8000	  175.00	  169.65	 -895.64	  126.97
-     57.8500	  161.00	  169.56	 -909.54	  126.98
-     57.9000	  174.00	  169.47	 -896.46	  126.99
-     57.9500	  187.00	  169.40	 -883.38	  126.99
-     58.0000	  164.00	  169.33	 -906.32	  127.00
-     58.0500	  188.00	  169.28	 -882.26	  127.01
-     58.1000	  163.00	  169.23	 -907.21	  127.01
-     58.1500	  177.00	  169.18	 -893.17	  127.02
-     58.2000	  181.00	  169.15	 -889.13	  127.03
-     58.2500	  156.00	  169.11	 -914.10	  127.03
-     58.3000	  163.00	  169.09	 -907.07	  127.04
-     58.3500	  190.00	  169.06	 -880.05	  127.05
-     58.4000	  162.00	  169.04	 -908.02	  127.06
-     58.4500	  186.00	  169.02	 -884.01	  127.06
-     58.5000	  169.00	  169.00	 -900.99	  127.07
-     58.5500	  160.00	  168.99	 -909.97	  127.08
-     58.6000	  171.00	  168.98	 -898.96	  127.08
-     58.6500	  160.00	  168.97	 -909.95	  127.09
-     58.7000	  174.00	  168.96	 -895.94	  127.10
-     58.7500	  163.00	  168.95	 -906.94	  127.10
-     58.8000	  180.00	  168.95	 -889.93	  127.11
-     58.8500	  176.00	  168.94	 -893.93	  127.12
-     58.9000	  174.00	  168.94	 -895.93	  127.13
-     58.9500	  177.00	  168.94	 -892.92	  127.13
-     59.0000	  186.00	  168.94	 -883.92	  127.14
-     59.0500	  157.00	  168.94	 -912.92	  127.15
-     59.1000	  188.00	  168.94	 -881.93	  127.15
-     59.1500	  162.00	  168.94	 -907.93	  127.16
-     59.2000	  160.00	  168.95	 -909.93	  127.17
-     59.2500	  196.00	  168.95	 -873.93	  127.17
-     59.3000	  178.00	  168.95	 -891.94	  127.18
-     59.3500	  188.00	  168.96	 -881.94	  127.19
-     59.4000	  161.00	  168.96	 -908.95	  127.19
-     59.4500	  157.00	  168.97	 -912.96	  127.20
-     59.5000	  183.00	  168.98	 -886.96	  127.21
-     59.5500	  169.00	  168.98	 -900.97	  127.22
-     59.6000	  150.00	  168.99	 -919.98	  127.22
-     59.6500	  195.00	  169.00	 -874.98	  127.23
-     59.7000	  175.00	  169.01	 -894.99	  127.24
-     59.7500	  160.00	  169.02	 -910.00	  127.24
-     59.8000	  168.00	  169.03	 -902.01	  127.25
-     59.8500	  191.00	  169.04	 -879.02	  127.26
-     59.9000	  181.00	  169.05	 -889.03	  127.26
-     59.9500	  168.00	  169.06	 -902.04	  127.27
-     60.0000	  181.00	  169.07	 -889.05	  127.28
-     60.0500	  158.00	  169.08	 -912.07	  127.29
-     60.1000	  160.00	  169.09	 -910.08	  127.29
-     60.1500	  151.00	  169.11	 -919.09	  127.30
-     60.2000	  171.00	  169.12	 -899.10	  127.31
-     60.2500	  167.00	  169.13	 -903.12	  127.31
-     60.3000	  160.00	  169.15	 -910.13	  127.32
-     60.3500	  157.00	  169.16	 -913.14	  127.33
-     60.4000	  172.00	  169.17	 -898.16	  127.33
-     60.4500	  140.00	  169.19	 -930.17	  127.34
-     60.5000	  172.00	  169.20	 -898.19	  127.35
-     60.5500	  150.00	  169.22	 -920.20	  127.35
-     60.6000	  179.00	  169.24	 -891.22	  127.36
-     60.6500	  153.00	  169.25	 -917.24	  127.37
-     60.7000	  170.00	  169.27	 -900.25	  127.38
-     60.7500	  184.00	  169.29	 -886.27	  127.38
-     60.8000	  158.00	  169.30	 -912.29	  127.39
-     60.8500	  177.00	  169.32	 -893.31	  127.40
-     60.9000	  159.00	  169.34	 -911.33	  127.40
-     60.9500	  157.00	  169.36	 -913.35	  127.41
-     61.0000	  168.00	  169.38	 -902.36	  127.42
-     61.0500	  154.00	  169.40	 -916.38	  127.42
-     61.1000	  170.00	  169.42	 -900.41	  127.43
-     61.1500	  147.00	  169.44	 -923.43	  127.44
-     61.2000	  161.00	  169.46	 -909.45	  127.45
-     61.2500	  175.00	  169.48	 -895.47	  127.45
-     61.3000	  170.00	  169.51	 -900.49	  127.46
-     61.3500	  153.00	  169.53	 -917.51	  127.47
-     61.4000	  165.00	  169.55	 -905.54	  127.47
-     61.4500	  164.00	  169.58	 -906.56	  127.48
-     61.5000	  174.00	  169.60	 -896.59	  127.49
-     61.5500	  160.00	  169.63	 -910.61	  127.49
-     61.6000	  188.00	  169.65	 -882.64	  127.50
-     61.6500	  182.00	  169.68	 -888.67	  127.51
-     61.7000	  197.00	  169.71	 -873.69	  127.52
-     61.7500	  163.00	  169.74	 -907.72	  127.52
-     61.8000	  176.00	  169.76	 -894.75	  127.53
-     61.8500	  157.00	  169.79	 -913.78	  127.54
-     61.9000	  166.00	  169.83	 -904.81	  127.54
-     61.9500	  173.00	  169.86	 -897.84	  127.55
-     62.0000	  167.00	  169.89	 -903.87	  127.56
-     62.0500	  175.00	  169.92	 -895.91	  127.56
-     62.1000	  143.00	  169.96	 -927.94	  127.57
-     62.1500	  148.00	  169.99	 -922.98	  127.58
-     62.2000	  178.00	  170.03	 -893.01	  127.58
-     62.2500	  180.00	  170.07	 -891.05	  127.59
-     62.3000	  141.00	  170.11	 -930.09	  127.60
-     62.3500	  202.00	  170.15	 -869.13	  127.61
-     62.4000	  172.00	  170.19	 -899.17	  127.61
-     62.4500	  169.00	  170.23	 -902.21	  127.62
-     62.5000	  143.00	  170.27	 -928.26	  127.63
-     62.5500	  146.00	  170.32	 -925.30	  127.63
-     62.6000	  169.00	  170.37	 -902.35	  127.64
-     62.6500	  146.00	  170.42	 -925.40	  127.65
-     62.7000	  156.00	  170.47	 -915.45	  127.65
-     62.7500	  147.00	  170.52	 -924.50	  127.66
-     62.8000	  158.00	  170.57	 -913.56	  127.67
-     62.8500	  178.00	  170.63	 -893.61	  127.68
-     62.9000	  163.00	  170.69	 -908.67	  127.68
-     62.9500	  168.00	  170.75	 -903.73	  127.69
-     63.0000	  164.00	  170.81	 -907.80	  127.70
-     63.0500	  180.00	  170.88	 -891.86	  127.70
-     63.1000	  189.00	  170.95	 -882.93	  127.71
-     63.1500	  164.00	  171.02	 -908.00	  127.72
-     63.2000	  181.00	  171.09	 -891.08	  127.72
-     63.2500	  179.00	  171.17	 -893.16	  127.73
-     63.3000	  147.00	  171.25	 -925.24	  127.74
-     63.3500	  179.00	  171.34	 -893.32	  127.75
-     63.4000	  150.00	  171.43	 -922.41	  127.75
-     63.4500	  168.00	  171.52	 -904.51	  127.76
-     63.5000	  156.00	  171.62	 -916.60	  127.77
-     63.5500	  181.00	  171.72	 -891.71	  127.77
-     63.6000	  170.00	  171.83	 -902.82	  127.78
-     63.6500	  181.00	  171.94	 -891.93	  127.79
-     63.7000	  184.00	  172.06	 -889.05	  127.79
-     63.7500	  153.00	  172.19	 -920.17	  127.80
-     63.8000	  166.00	  172.32	 -907.31	  127.81
-     63.8500	  166.00	  172.46	 -907.45	  127.81
-     63.9000	  169.00	  172.61	 -904.60	  127.82
-     63.9500	  175.00	  172.77	 -898.75	  127.83
-     64.0000	  157.00	  172.93	 -916.92	  127.84
-     64.0500	  165.00	  173.11	 -909.10	  127.84
-     64.1000	  169.00	  173.30	 -905.28	  127.85
-     64.1500	  164.00	  173.50	 -910.48	  127.86
-     64.2000	  181.00	  173.71	 -893.70	  127.86
-     64.2500	  189.00	  173.94	 -885.92	  127.87
-     64.3000	  179.00	  174.18	 -896.17	  127.88
-     64.3500	  157.00	  174.44	 -918.43	  127.88
-     64.4000	  189.00	  174.72	 -886.71	  127.89
-     64.4500	  167.00	  175.02	 -909.01	  127.90
-     64.5000	  178.00	  175.35	 -898.33	  127.91
-     64.5500	  144.00	  175.70	 -932.68	  127.91
-     64.6000	  180.00	  176.08	 -897.06	  127.92
-     64.6500	  182.00	  176.49	 -895.47	  127.93
-     64.7000	  199.00	  176.94	 -878.92	  127.93
-     64.7500	  172.00	  177.42	 -906.41	  127.94
-     64.8000	  191.00	  177.95	 -887.94	  127.95
-     64.8500	  166.00	  178.54	 -913.52	  127.95
-     64.9000	  157.00	  179.17	 -923.16	  127.96
-     64.9500	  197.00	  179.88	 -883.86	  127.97
-     65.0000	  204.00	  180.66	 -877.64	  127.97
-     65.0500	  183.00	  181.52	 -899.51	  127.98
-     65.1000	  189.00	  182.49	 -894.47	  127.99
-     65.1500	  189.00	  183.58	 -895.56	  128.00
-     65.2000	  170.00	  184.79	 -915.77	  128.00
-     65.2500	  188.00	  186.16	 -899.14	  128.01
-     65.3000	  176.00	  187.71	 -912.69	  128.02
-     65.3500	  172.00	  189.47	 -918.46	  128.02
-     65.4000	  182.00	  191.50	 -910.49	  128.03
-     65.4500	  205.00	  193.85	 -889.83	  128.04
-     65.5000	  191.00	  196.57	 -906.56	  128.04
-     65.5500	  192.00	  199.76	 -908.75	  128.05
-     65.6000	  190.00	  203.54	 -914.52	  128.06
-     65.6500	  194.00	  208.04	 -915.03	  128.07
-     65.7000	  212.00	  213.48	 -902.47	  128.07
-     65.7500	  221.00	  220.16	 -900.15	  128.08
-     65.8000	  227.00	  228.59	 -902.58	  128.09
-     65.8500	  227.00	  239.86	 -913.84	  128.09
-     65.9000	  239.00	  256.40	 -918.38	  128.10
-     65.9500	  261.00	  283.78	 -923.76	  128.11
-     66.0000	  301.00	  333.75	 -933.74	  128.11
-     66.0500	  409.00	  427.48	 -919.47	  128.12
-     66.1000	  559.00	  596.70	 -938.69	  128.13
-     66.1500	  820.00	  877.05	 -958.03	  128.14
-     66.2000	 1276.00	 1290.81	 -915.80	  128.14
-     66.2500	 1776.00	 1822.92	 -947.90	  128.15
-     66.3000	 2322.00	 2397.58	 -976.56	  128.16
-     66.3500	 2880.00	 2872.69	 -893.68	  128.16
-     66.4000	 3051.00	 3069.53	 -919.51	  128.17
-     66.4500	 2980.00	 2892.60	 -813.59	  128.18
-     66.5000	 2572.00	 2428.22	 -757.21	  128.18
-     66.5500	 1961.00	 1854.78	 -794.77	  128.19
-     66.6000	 1315.00	 1317.86	 -903.84	  128.20
-     66.6500	  919.00	  896.53	 -878.52	  128.20
-     66.7000	  548.00	  609.20	 -962.19	  128.21
-     66.7500	  405.00	  434.67	 -930.65	  128.22
-     66.8000	  299.00	  337.68	 -939.66	  128.23
-     66.8500	  309.00	  285.95	 -877.94	  128.23
-     66.9000	  279.00	  257.70	 -879.68	  128.24
-     66.9500	  281.00	  240.75	 -860.74	  128.25
-     67.0000	  235.00	  229.29	 -895.27	  128.25
-     67.0500	  239.00	  220.75	 -882.73	  128.26
-     67.1000	  212.00	  214.00	 -902.99	  128.27
-     67.1500	  228.00	  208.52	 -881.50	  128.27
-     67.2000	  231.00	  203.98	 -873.97	  128.28
-     67.2500	  198.00	  200.19	 -903.17	  128.29
-     67.3000	  223.00	  196.98	 -874.96	  128.30
-     67.3500	  201.00	  194.24	 -894.23	  128.30
-     67.4000	  208.00	  191.90	 -884.88	  128.31
-     67.4500	  207.00	  189.87	 -883.85	  128.32
-     67.5000	  217.00	  188.10	 -872.08	  128.32
-     67.5500	  196.00	  186.55	 -891.54	  128.33
-     67.6000	  182.00	  185.19	 -904.17	  128.34
-     67.6500	  182.00	  183.98	 -902.97	  128.34
-     67.7000	  186.00	  182.91	 -897.90	  128.35
-     67.7500	  176.00	  181.96	 -906.94	  128.36
-     67.8000	  192.00	  181.10	 -890.09	  128.37
-     67.8500	  215.00	  180.33	 -866.32	  128.37
-     67.9000	  178.00	  179.64	 -902.62	  128.38
-     67.9500	  191.00	  179.01	 -889.00	  128.39
-     68.0000	  178.00	  178.44	 -901.42	  128.39
-     68.0500	  185.00	  177.92	 -893.91	  128.40
-     68.1000	  171.00	  177.45	 -907.43	  128.41
-     68.1500	  174.00	  177.01	 -904.00	  128.41
-     68.2000	  193.00	  176.61	 -884.60	  128.42
-     68.2500	  182.00	  176.25	 -895.23	  128.43
-     68.3000	  178.00	  175.91	 -898.90	  128.43
-     68.3500	  196.00	  175.60	 -880.58	  128.44
-     68.4000	  178.00	  175.31	 -898.30	  128.45
-     68.4500	  173.00	  175.05	 -903.03	  128.46
-     68.5000	  175.00	  174.80	 -900.78	  128.46
-     68.5500	  178.00	  174.57	 -897.55	  128.47
-     68.6000	  177.00	  174.36	 -898.34	  128.48
-     68.6500	  176.00	  174.16	 -899.14	  128.48
-     68.7000	  200.00	  173.97	 -874.96	  128.49
-     68.7500	  177.00	  173.80	 -897.78	  128.50
-     68.8000	  185.00	  173.63	 -889.62	  128.50
-     68.8500	  167.00	  173.48	 -907.47	  128.51
-     68.9000	  158.00	  173.34	 -916.32	  128.52
-     68.9500	  176.00	  173.21	 -898.19	  128.53
-     69.0000	  192.00	  173.08	 -882.07	  128.53
-     69.0500	  174.00	  172.96	 -899.95	  128.54
-     69.1000	  154.00	  172.85	 -919.84	  128.55
-     69.1500	  153.00	  172.75	 -920.73	  128.55
-     69.2000	  167.00	  172.65	 -906.63	  128.56
-     69.2500	  168.00	  172.56	 -905.54	  128.57
-     69.3000	  167.00	  172.47	 -906.45	  128.57
-     69.3500	  163.00	  172.59	 -910.57	  128.58
-     69.4000	  157.00	  172.51	 -916.50	  128.59
-     69.4500	  185.00	  172.44	 -888.43	  128.60
-     69.5000	  151.00	  172.38	 -922.36	  128.60
-     69.5500	  176.00	  172.31	 -897.30	  128.61
-     69.6000	  187.00	  172.26	 -886.24	  128.62
-     69.6500	  170.00	  172.20	 -903.19	  128.62
-     69.7000	  164.00	  172.15	 -909.13	  128.63
-     69.7500	  204.00	  172.10	 -869.09	  128.64
-     69.8000	  169.00	  172.06	 -904.04	  128.64
-     69.8500	  191.00	  172.01	 -882.00	  128.65
-     69.9000	  177.00	  171.98	 -895.96	  128.66
-     69.9500	  157.00	  171.94	 -915.93	  128.66
-     70.0000	  173.00	  171.91	 -899.90	  128.67
-     70.0500	  199.00	  171.88	 -873.87	  128.68
-     70.1000	  168.00	  171.86	 -904.84	  128.69
-     70.1500	  191.00	  171.84	 -881.82	  128.69
-     70.2000	  165.00	  171.82	 -907.81	  128.70
-     70.2500	  156.00	  171.81	 -916.80	  128.71
-     70.3000	  163.00	  171.81	 -909.79	  128.71
-     70.3500	  149.00	  171.81	 -923.80	  128.72
-     70.4000	  199.00	  171.83	 -873.81	  128.73
-     70.4500	  158.00	  171.86	 -914.85	  128.73
-     70.5000	  158.00	  171.94	 -914.92	  128.74
-     70.5500	  150.00	  172.09	 -923.08	  128.75
-     70.6000	  197.00	  172.40	 -876.38	  128.76
-     70.6500	  167.00	  172.97	 -906.96	  128.76
-     70.7000	  180.00	  173.94	 -894.93	  128.77
-     70.7500	  187.00	  175.40	 -889.38	  128.78
-     70.8000	  190.00	  177.30	 -888.28	  128.78
-     70.8500	  169.00	  179.39	 -911.38	  128.79
-     70.9000	  214.00	  181.19	 -868.17	  128.80
-     70.9500	  188.00	  182.02	 -895.01	  128.80
-     71.0000	  200.00	  181.49	 -882.48	  128.81
-     71.0500	  186.00	  179.86	 -894.84	  128.82
-     71.1000	  169.00	  177.76	 -909.74	  128.82
-     71.1500	  166.00	  175.75	 -910.73	  128.83
-     71.2000	  175.00	  174.14	 -900.13	  128.84
-     71.2500	  170.00	  173.03	 -904.01	  128.85
-     71.3000	  191.00	  172.34	 -882.32	  128.85
-     71.3500	  185.00	  171.95	 -887.93	  128.86
-     71.4000	  191.00	  171.73	 -881.72	  128.87
-     71.4500	  181.00	  171.62	 -891.60	  128.87
-     71.5000	  188.00	  171.54	 -884.53	  128.88
-     71.5500	  164.00	  171.50	 -908.48	  128.89
-     71.6000	  185.00	  171.46	 -887.44	  128.89
-     71.6500	  168.00	  171.43	 -904.41	  128.90
-     71.7000	  168.00	  171.41	 -904.39	  128.91
-     71.7500	  167.00	  171.39	 -905.37	  128.92
-     71.8000	  158.00	  171.37	 -914.36	  128.92
-     71.8500	  173.00	  171.36	 -899.34	  128.93
-     71.9000	  177.00	  171.35	 -895.33	  128.94
-     71.9500	  193.00	  171.34	 -879.33	  128.94
-     72.0000	  190.00	  171.33	 -882.32	  128.95
-     72.0500	  174.00	  171.33	 -898.31	  128.96
-     72.1000	  161.00	  171.33	 -911.31	  128.96
-     72.1500	  147.00	  171.32	 -925.31	  128.97
-     72.2000	  165.00	  171.32	 -907.31	  128.98
-     72.2500	  188.00	  171.32	 -884.31	  128.99
-     72.3000	  172.00	  171.32	 -900.31	  128.99
-     72.3500	  176.00	  171.33	 -896.31	  129.00
-     72.4000	  167.00	  171.33	 -905.31	  129.01
-     72.4500	  186.00	  171.33	 -886.32	  129.01
-     72.5000	  178.00	  171.34	 -894.32	  129.02
-     72.5500	  158.00	  171.34	 -914.33	  129.03
-     72.6000	  168.00	  171.35	 -904.34	  129.03
-     72.6500	  180.00	  171.36	 -892.34	  129.04
-     72.7000	  154.00	  171.37	 -918.35	  129.05
-     72.7500	  162.00	  171.38	 -910.36	  129.05
-     72.8000	  168.00	  171.39	 -904.37	  129.06
-     72.8500	  194.00	  171.40	 -878.38	  129.07
-     72.9000	  164.00	  171.41	 -908.39	  129.08
-     72.9500	  169.00	  171.42	 -903.41	  129.08
-     73.0000	  160.00	  171.43	 -912.42	  129.09
-     73.0500	  164.00	  171.45	 -908.43	  129.10
-     73.1000	  171.00	  171.46	 -901.45	  129.10
-     73.1500	  169.00	  171.48	 -903.47	  129.11
-     73.2000	  167.00	  171.50	 -905.48	  129.12
-     73.2500	  150.00	  171.52	 -922.50	  129.12
-     73.3000	  173.00	  171.54	 -899.52	  129.13
-     73.3500	  183.00	  171.56	 -889.54	  129.14
-     73.4000	  169.00	  171.58	 -903.57	  129.15
-     73.4500	  180.00	  171.61	 -892.59	  129.15
-     73.5000	  173.00	  171.73	 -899.72	  129.16
-     73.5500	  195.00	  171.76	 -877.75	  129.17
-     73.6000	  178.00	  171.79	 -894.78	  129.17
-     73.6500	  193.00	  171.82	 -879.81	  129.18
-     73.7000	  179.00	  171.86	 -893.84	  129.19
-     73.7500	  153.00	  171.90	 -919.88	  129.19
-     73.8000	  169.00	  171.94	 -903.92	  129.20
-     73.8500	  165.00	  171.98	 -907.97	  129.21
-     73.9000	  172.00	  172.03	 -901.01	  129.22
-     73.9500	  171.00	  172.08	 -902.07	  129.22
-     74.0000	  178.00	  172.14	 -895.12	  129.23
-     74.0500	  180.00	  172.20	 -893.18	  129.24
-     74.1000	  168.00	  172.26	 -905.25	  129.24
-     74.1500	  169.00	  172.34	 -904.32	  129.25
-     74.2000	  190.00	  172.42	 -883.40	  129.26
-     74.2500	  170.00	  172.51	 -903.49	  129.26
-     74.3000	  178.00	  172.61	 -895.59	  129.27
-     74.3500	  158.00	  172.72	 -915.71	  129.28
-     74.4000	  185.00	  172.85	 -888.84	  129.28
-     74.4500	  181.00	  173.00	 -892.98	  129.29
-     74.5000	  173.00	  173.16	 -901.15	  129.30
-     74.5500	  163.00	  173.36	 -911.34	  129.31
-     74.6000	  184.00	  173.59	 -890.57	  129.31
-     74.6500	  181.00	  173.86	 -893.84	  129.32
-     74.7000	  192.00	  174.18	 -883.17	  129.33
-     74.7500	  166.00	  174.58	 -909.56	  129.33
-     74.8000	  168.00	  175.08	 -908.06	  129.34
-     74.8500	  200.00	  175.76	 -876.75	  129.35
-     74.9000	  188.00	  176.79	 -889.77	  129.35
-     74.9500	  190.00	  178.53	 -889.51	  129.36
-     75.0000	  211.00	  181.70	 -871.68	  129.37
-     75.0500	  172.00	  187.50	 -916.49	  129.38
-     75.1000	  198.00	  197.57	 -900.55	  129.38
-     75.1500	  230.00	  213.46	 -884.45	  129.39
-     75.2000	  264.00	  235.74	 -872.72	  129.40
-     75.2500	  227.00	  262.77	 -936.75	  129.40
-     75.3000	  289.00	  289.92	 -901.90	  129.41
-     75.3500	  290.00	  309.42	 -920.41	  129.42
-     75.4000	  284.00	  313.21	 -930.19	  129.42
-     75.4500	  250.00	  299.39	 -950.37	  129.43
-     75.5000	  233.00	  274.36	 -942.35	  129.44
-     75.5500	  239.00	  246.59	 -908.57	  129.44
-     75.6000	  239.00	  222.09	 -884.07	  129.45
-     75.6500	  204.00	  203.62	 -900.61	  129.46
-     75.7000	  178.00	  191.40	 -914.39	  129.47
-     75.7500	  189.00	  184.14	 -896.12	  129.47
-     75.8000	  202.00	  180.13	 -879.12	  129.48
-     75.8500	  181.00	  177.99	 -897.98	  129.49
-     75.9000	  190.00	  176.80	 -887.79	  129.49
-     75.9500	  177.00	  176.07	 -900.06	  129.50
-     76.0000	  199.00	  175.58	 -877.57	  129.51
-     76.0500	  193.00	  175.22	 -883.20	  129.51
-     76.1000	  170.00	  174.94	 -905.93	  129.52
-     76.1500	  170.00	  174.73	 -905.71	  129.53
-     76.2000	  165.00	  174.56	 -910.54	  129.54
-     76.2500	  192.00	  174.43	 -883.41	  129.54
-     76.3000	  171.00	  174.33	 -904.31	  129.55
-     76.3500	  169.00	  174.25	 -906.24	  129.56
-     76.4000	  168.00	  174.20	 -907.19	  129.56
-     76.4500	  183.00	  174.17	 -892.15	  129.57
-     76.5000	  173.00	  174.15	 -902.13	  129.58
-     76.5500	  178.00	  174.14	 -897.13	  129.58
-     76.6000	  175.00	  173.93	 -899.92	  129.59
-     76.6500	  191.00	  173.95	 -883.94	  129.60
-     76.7000	  166.00	  173.99	 -908.97	  129.61
-     76.7500	  187.00	  174.03	 -888.01	  129.61
-     76.8000	  191.00	  174.08	 -884.06	  129.62
-     76.8500	  184.00	  174.14	 -891.12	  129.63
-     76.9000	  168.00	  174.21	 -907.19	  129.63
-     76.9500	  177.00	  174.28	 -898.27	  129.64
-     77.0000	  205.00	  174.37	 -870.35	  129.65
-     77.0500	  188.00	  174.46	 -887.44	  129.65
-     77.1000	  166.00	  174.56	 -909.55	  129.66
-     77.1500	  180.00	  174.67	 -895.66	  129.67
-     77.2000	  179.00	  174.79	 -896.78	  129.67
-     77.2500	  179.00	  174.92	 -896.91	  129.68
-     77.3000	  163.00	  175.06	 -913.05	  129.69
-     77.3500	  188.00	  175.21	 -888.20	  129.70
-     77.4000	  169.00	  175.38	 -907.36	  129.70
-     77.4500	  179.00	  175.55	 -897.54	  129.71
-     77.5000	  169.00	  175.74	 -907.72	  129.72
-     77.5500	  201.00	  175.94	 -875.92	  129.72
-     77.6000	  184.00	  176.16	 -893.14	  129.73
-     77.6500	  187.00	  176.39	 -890.37	  129.74
-     77.7000	  207.00	  176.64	 -870.63	  129.74
-     77.7500	  170.00	  176.91	 -907.90	  129.75
-     77.8000	  193.00	  177.20	 -885.19	  129.76
-     77.8500	  189.00	  177.52	 -889.51	  129.77
-     77.9000	  205.00	  177.86	 -873.85	  129.77
-     77.9500	  183.00	  178.24	 -896.22	  129.78
-     78.0000	  179.00	  178.64	 -900.63	  129.79
-     78.0500	  188.00	  179.08	 -892.07	  129.79
-     78.1000	  194.00	  179.57	 -886.55	  129.80
-     78.1500	  220.00	  180.09	 -861.08	  129.81
-     78.2000	  195.00	  180.67	 -886.66	  129.81
-     78.2500	  176.00	  181.31	 -906.30	  129.82
-     78.3000	  208.00	  182.02	 -875.00	  129.83
-     78.3500	  185.00	  182.80	 -898.78	  129.84
-     78.4000	  217.00	  183.67	 -867.65	  129.84
-     78.4500	  203.00	  184.64	 -882.62	  129.85
-     78.5000	  200.00	  185.73	 -886.71	  129.86
-     78.5500	  196.00	  186.95	 -891.94	  129.86
-     78.6000	  197.00	  188.34	 -892.33	  129.87
-     78.6500	  217.00	  189.92	 -873.91	  129.88
-     78.7000	  179.00	  191.73	 -913.71	  129.88
-     78.7500	  184.00	  193.80	 -910.79	  129.89
-     78.8000	  187.00	  196.21	 -910.20	  129.90
-     78.8500	  219.00	  199.03	 -881.01	  129.90
-     78.9000	  193.00	  202.34	 -910.32	  129.91
-     78.9500	  214.00	  206.27	 -893.25	  129.92
-     79.0000	  207.00	  210.99	 -904.97	  129.93
-     79.0500	  199.00	  216.74	 -918.73	  129.93
-     79.1000	  224.00	  223.92	 -900.91	  129.94
-     79.1500	  244.00	  233.29	 -890.28	  129.95
-     79.2000	  217.00	  246.52	 -930.51	  129.95
-     79.2500	  266.00	  267.36	 -902.35	  129.96
-     79.3000	  281.00	  303.69	 -923.68	  129.97
-     79.3500	  425.00	  370.17	 -846.15	  129.97
-     79.4000	  527.00	  489.67	 -863.65	  129.98
-     79.4500	  735.00	  690.51	 -856.50	  129.99
-     79.5000	 1057.00	  995.76	 -839.75	  130.00
-     79.5500	 1483.00	 1405.78	 -823.76	  130.00
-     79.6000	 1955.00	 1879.79	 -825.78	  130.01
-     79.6500	 2315.00	 2324.05	 -910.04	  130.02
-     79.7000	 2552.00	 2598.91	 -947.90	  130.02
-     79.7500	 2506.00	 2582.86	 -977.84	  130.03
-     79.8000	 2261.00	 2283.89	 -923.87	  130.04
-     79.8500	 1842.00	 1830.63	 -889.61	  130.04
-     79.9000	 1328.00	 1359.98	 -932.96	  130.05
-     79.9500	  911.00	  959.67	 -949.65	  130.06
-     80.0000	  592.00	  665.69	 -974.67	  130.07
-     80.0500	  430.00	  474.46	 -945.45	  130.07
-     80.1000	  312.00	  361.67	 -950.65	  130.08
-     80.1500	  284.00	  299.25	 -916.24	  130.09
-     80.2000	  285.00	  265.09	 -881.07	  130.09
-     80.2500	  247.00	  245.34	 -899.32	  130.10
-     80.3000	  250.00	  232.67	 -883.65	  130.11
-     80.3500	  231.00	  223.62	 -893.60	  130.11
-     80.4000	  272.00	  216.66	 -845.64	  130.12
-     80.4500	  235.00	  211.07	 -877.05	  130.13
-     80.5000	  188.00	  206.48	 -919.46	  130.13
-     80.5500	  223.00	  202.66	 -880.65	  130.14
-     80.6000	  218.00	  199.46	 -882.44	  130.15
-     80.6500	  221.00	  196.74	 -876.72	  130.16
-     80.7000	  210.00	  194.41	 -885.40	  130.16
-     80.7500	  199.00	  192.41	 -894.40	  130.17
-     80.8000	  207.00	  190.68	 -884.67	  130.18
-     80.8500	  208.00	  189.18	 -882.16	  130.18
-     80.9000	  178.00	  187.86	 -910.85	  130.19
-     80.9500	  194.00	  186.71	 -893.69	  130.20
-     81.0000	  202.00	  185.69	 -884.67	  130.20
-     81.0500	  226.00	  184.78	 -859.77	  130.21
-     81.1000	  209.00	  183.98	 -875.97	  130.22
-     81.1500	  194.00	  183.27	 -890.26	  130.23
-     81.2000	  179.00	  182.64	 -904.62	  130.23
-     81.2500	  183.00	  182.07	 -900.06	  130.24
-     81.3000	  187.00	  181.57	 -895.55	  130.25
-     81.3500	  198.00	  181.11	 -884.10	  130.25
-     81.4000	  198.00	  180.71	 -883.70	  130.26
-     81.4500	  209.00	  180.35	 -872.34	  130.27
-     81.5000	  187.00	  180.05	 -894.04	  130.27
-     81.5500	  211.00	  179.77	 -869.75	  130.28
-     81.6000	  198.00	  179.51	 -882.50	  130.29
-     81.6500	  164.00	  179.29	 -916.28	  130.29
-     81.7000	  200.00	  179.10	 -880.09	  130.30
-     81.7500	  212.00	  178.94	 -867.92	  130.31
-     81.8000	  197.00	  178.80	 -882.78	  130.32
-     81.8500	  191.00	  178.68	 -888.66	  130.32
-     81.9000	  195.00	  178.59	 -884.57	  130.33
-     81.9500	  217.00	  178.52	 -862.50	  130.34
-     82.0000	  189.00	  178.47	 -890.45	  130.34
-     82.0500	  182.00	  178.44	 -897.43	  130.35
-     82.1000	  174.00	  178.44	 -905.43	  130.36
-     82.1500	  182.00	  178.46	 -897.45	  130.36
-     82.2000	  199.00	  178.50	 -880.49	  130.37
-     82.2500	  179.00	  178.57	 -900.56	  130.38
-     82.3000	  197.00	  178.66	 -882.65	  130.39
-     82.3500	  228.00	  178.78	 -851.77	  130.39
-     82.4000	  170.00	  178.93	 -909.92	  130.40
-     82.4500	  203.00	  179.11	 -877.09	  130.41
-     82.5000	  232.00	  179.32	 -848.31	  130.41
-     82.5500	  178.00	  179.57	 -902.56	  130.42
-     82.6000	  216.00	  179.87	 -864.85	  130.43
-     82.6500	  205.00	  180.21	 -876.19	  130.43
-     82.7000	  185.00	  180.60	 -896.58	  130.44
-     82.7500	  212.00	  181.05	 -870.03	  130.45
-     82.8000	  199.00	  181.57	 -883.55	  130.46
-     82.8500	  169.00	  182.17	 -914.16	  130.46
-     82.9000	  165.00	  182.87	 -918.85	  130.47
-     82.9500	  203.00	  183.67	 -881.66	  130.48
-     83.0000	  215.00	  184.61	 -870.59	  130.48
-     83.0500	  199.00	  185.70	 -887.68	  130.49
-     83.1000	  200.00	  186.98	 -887.97	  130.50
-     83.1500	  174.00	  188.50	 -915.48	  130.50
-     83.2000	  192.00	  190.30	 -899.28	  130.51
-     83.2500	  206.00	  192.46	 -887.45	  130.52
-     83.3000	  191.00	  195.09	 -905.08	  130.52
-     83.3500	  203.00	  198.35	 -896.33	  130.53
-     83.4000	  210.00	  202.52	 -893.51	  130.54
-     83.4500	  194.00	  208.22	 -915.20	  130.55
-     83.5000	  245.00	  216.79	 -872.77	  130.55
-     83.5500	  242.00	  231.10	 -890.09	  130.56
-     83.6000	  255.00	  256.77	 -902.75	  130.57
-     83.6500	  310.00	  303.08	 -894.06	  130.57
-     83.7000	  408.00	  382.69	 -875.67	  130.58
-     83.7500	  498.00	  508.42	 -911.40	  130.59
-     83.8000	  729.00	  685.98	 -857.97	  130.59
-     83.8500	  934.00	  905.83	 -872.81	  130.60
-     83.9000	 1121.00	 1135.48	 -915.46	  130.61
-     83.9500	 1320.00	 1317.40	 -898.39	  130.62
-     84.0000	 1476.00	 1383.37	 -808.35	  130.62
-     84.0500	 1276.00	 1301.89	 -926.88	  130.63
-     84.1000	 1129.00	 1111.19	 -883.18	  130.64
-     84.1500	  887.00	  880.20	 -894.18	  130.64
-     84.2000	  643.00	  663.89	 -921.87	  130.65
-     84.2500	  490.00	  491.78	 -902.76	  130.66
-     84.3000	  343.00	  371.64	 -929.63	  130.66
-     84.3500	  284.00	  296.30	 -913.28	  130.67
-     84.4000	  263.00	  252.79	 -890.78	  130.68
-     84.4500	  229.00	  228.73	 -900.71	  130.69
-     84.5000	  235.00	  215.20	 -881.19	  130.69
-     84.5500	  246.00	  207.01	 -862.00	  130.70
-     84.6000	  205.00	  201.48	 -897.47	  130.71
-     84.6500	  217.00	  197.38	 -881.37	  130.71
-     84.7000	  217.00	  194.16	 -878.15	  130.72
-     84.7500	  197.00	  191.54	 -895.52	  130.73
-     84.8000	  195.00	  189.36	 -895.35	  130.73
-     84.8500	  232.00	  187.54	 -856.53	  130.74
-     84.9000	  182.00	  186.00	 -904.98	  130.75
-     84.9500	  192.00	  184.68	 -893.66	  130.75
-     85.0000	  172.00	  183.54	 -912.53	  130.76
-     85.0500	  191.00	  182.56	 -892.55	  130.77
-     85.1000	  200.00	  181.70	 -882.69	  130.78
-     85.1500	  186.00	  180.95	 -895.94	  130.78
-     85.2000	  190.00	  180.29	 -891.27	  130.79
-     85.2500	  211.00	  179.70	 -869.69	  130.80
-     85.3000	  184.00	  179.18	 -896.16	  130.80
-     85.3500	  180.00	  178.71	 -899.70	  130.81
-     85.4000	  182.00	  178.29	 -897.28	  130.82
-     85.4500	  184.00	  177.91	 -894.90	  130.82
-     85.5000	  175.00	  177.57	 -903.56	  130.83
-     85.5500	  176.00	  177.26	 -902.25	  130.84
-     85.6000	  166.00	  176.98	 -911.97	  130.85
-     85.6500	  180.00	  176.72	 -897.71	  130.85
-     85.7000	  195.00	  176.48	 -882.46	  130.86
-     85.7500	  183.00	  176.26	 -894.25	  130.87
-     85.8000	  182.00	  176.07	 -895.05	  130.87
-     85.8500	  168.00	  175.88	 -908.87	  130.88
-     85.9000	  177.00	  175.72	 -899.70	  130.89
-     85.9500	  190.00	  175.56	 -886.55	  130.89
-     86.0000	  178.00	  175.42	 -898.40	  130.90
-     86.0500	  180.00	  175.29	 -896.27	  130.91
-     86.1000	  181.00	  175.16	 -895.15	  130.91
-     86.1500	  177.00	  175.05	 -899.03	  130.92
-     86.2000	  171.00	  174.94	 -904.93	  130.93
-     86.2500	  193.00	  174.84	 -882.83	  130.94
-     86.3000	  181.00	  174.75	 -894.73	  130.94
-     86.3500	  180.00	  174.66	 -895.65	  130.95
-     86.4000	  198.00	  174.58	 -877.57	  130.96
-     86.4500	  177.00	  174.50	 -898.49	  130.96
-     86.5000	  161.00	  174.43	 -914.42	  130.97
-     86.5500	  166.00	  174.37	 -909.35	  130.98
-     86.6000	  176.00	  174.30	 -899.29	  130.98
-     86.6500	  190.00	  174.24	 -885.23	  130.99
-     86.7000	  185.00	  174.19	 -890.17	  131.00
-     86.7500	  173.00	  174.14	 -902.12	  131.01
-     86.8000	  176.00	  174.09	 -899.07	  131.01
-     86.8500	  159.00	  174.04	 -916.03	  131.02
-     86.9000	  188.00	  174.00	 -886.99	  131.03
-     86.9500	  199.00	  173.96	 -875.95	  131.03
-     87.0000	  180.00	  173.92	 -894.91	  131.04
-     87.0500	  164.00	  173.89	 -910.87	  131.05
-     87.1000	  180.00	  173.86	 -894.84	  131.05
-     87.1500	  190.00	  173.82	 -884.81	  131.06
-     87.2000	  179.00	  173.80	 -895.78	  131.07
-     87.2500	  177.00	  173.77	 -897.76	  131.08
-     87.3000	  183.00	  173.75	 -891.73	  131.08
-     87.3500	  174.00	  173.72	 -900.71	  131.09
-     87.4000	  164.00	  173.70	 -910.69	  131.10
-     87.4500	  165.00	  173.69	 -909.67	  131.10
-     87.5000	  185.00	  173.67	 -889.66	  131.11
-     87.5500	  191.00	  173.66	 -883.65	  131.12
-     87.6000	  181.00	  173.65	 -893.64	  131.12
-     87.6500	  143.00	  173.65	 -931.63	  131.13
-     87.7000	  170.00	  173.65	 -904.64	  131.14
-     87.7500	  150.00	  173.67	 -924.65	  131.14
-     87.8000	  187.00	  173.71	 -887.69	  131.15
-     87.8500	  181.00	  173.79	 -893.78	  131.16
-     87.9000	  171.00	  173.95	 -903.93	  131.17
-     87.9500	  179.00	  174.22	 -896.21	  131.17
-     88.0000	  146.00	  174.64	 -929.63	  131.18
-     88.0500	  175.00	  175.21	 -901.20	  131.19
-     88.1000	  182.00	  175.89	 -894.87	  131.19
-     88.1500	  176.00	  176.55	 -901.54	  131.20
-     88.2000	  164.00	  177.02	 -914.01	  131.21
-     88.2500	  152.00	  177.10	 -926.09	  131.21
-     88.3000	  188.00	  176.76	 -889.74	  131.22
-     88.3500	  152.00	  176.13	 -925.12	  131.23
-     88.4000	  172.00	  175.43	 -904.41	  131.24
-     88.4500	  140.00	  174.79	 -935.77	  131.24
-     88.5000	  176.00	  174.29	 -899.27	  131.25
-     88.5500	  168.00	  173.94	 -906.93	  131.26
-     88.6000	  197.00	  173.73	 -877.71	  131.26
-     88.6500	  190.00	  173.60	 -884.58	  131.27
-     88.7000	  176.00	  173.53	 -898.51	  131.28
-     88.7500	  167.00	  173.48	 -907.47	  131.28
-     88.8000	  182.00	  173.46	 -892.44	  131.29
-     88.8500	  175.00	  173.44	 -899.43	  131.30
-     88.9000	  154.00	  173.43	 -920.41	  131.31
-     88.9500	  168.00	  173.42	 -906.40	  131.31
-     89.0000	  187.00	  173.41	 -887.40	  131.32
-     89.0500	  163.00	  173.41	 -911.39	  131.33
-     89.1000	  173.00	  173.40	 -901.39	  131.33
-     89.1500	  161.00	  173.40	 -913.39	  131.34
-     89.2000	  170.00	  173.40	 -904.38	  131.35
-     89.2500	  178.00	  173.40	 -896.38	  131.35
-     89.3000	  174.00	  173.46	 -900.44	  131.36
-     89.3500	  172.00	  173.46	 -902.44	  131.37
-     89.4000	  167.00	  173.46	 -907.45	  131.37
-     89.4500	  168.00	  173.47	 -906.45	  131.38
-     89.5000	  164.00	  173.47	 -910.46	  131.39
-     89.5500	  183.00	  173.48	 -891.46	  131.40
-     89.6000	  141.00	  173.49	 -933.47	  131.40
-     89.6500	  173.00	  173.49	 -901.48	  131.41
-     89.7000	  190.00	  173.50	 -884.49	  131.42
-     89.7500	  180.00	  173.51	 -894.50	  131.42
-     89.8000	  162.00	  173.52	 -912.51	  131.43
-     89.8500	  166.00	  173.54	 -908.52	  131.44
-     89.9000	  164.00	  173.55	 -910.53	  131.44
-     89.9500	  166.00	  173.56	 -908.55	  131.45
-     90.0000	  170.00	  173.58	 -904.56	  131.46
-     90.0500	  176.00	  173.59	 -898.58	  131.47
-     90.1000	  181.00	  173.41	 -893.39	  131.47
-     90.1500	  175.00	  173.43	 -899.41	  131.48
-     90.2000	  161.00	  173.45	 -913.44	  131.49
-     90.2500	  170.00	  173.48	 -904.46	  131.49
-     90.3000	  166.00	  173.50	 -908.49	  131.50
-     90.3500	  175.00	  173.53	 -899.51	  131.51
-     90.4000	  171.00	  173.56	 -903.54	  131.51
-     90.4500	  172.00	  173.59	 -902.57	  131.52
-     90.5000	  183.00	  173.62	 -891.61	  131.53
-     90.5500	  165.00	  173.66	 -909.64	  131.53
-     90.6000	  181.00	  173.69	 -893.68	  131.54
-     90.6500	  168.00	  173.74	 -906.72	  131.55
-     90.7000	  179.00	  173.78	 -895.77	  131.56
-     90.7500	  157.00	  173.83	 -917.81	  131.56
-     90.8000	  172.00	  173.88	 -902.87	  131.57
-     90.8500	  187.00	  173.94	 -887.92	  131.58
-     90.9000	  181.00	  174.00	 -893.99	  131.58
-     90.9500	  163.00	  174.07	 -912.05	  131.59
-     91.0000	  163.00	  174.14	 -912.13	  131.60
-     91.0500	  166.00	  174.23	 -909.21	  131.60
-     91.1000	  161.00	  174.32	 -914.30	  131.61
-     91.1500	  167.00	  174.42	 -908.40	  131.62
-     91.2000	  148.00	  174.53	 -927.51	  131.63
-     91.2500	  175.00	  174.66	 -900.64	  131.63
-     91.3000	  195.00	  174.80	 -880.78	  131.64
-     91.3500	  181.00	  174.96	 -894.94	  131.65
-     91.4000	  173.00	  175.14	 -903.12	  131.65
-     91.4500	  160.00	  175.34	 -916.33	  131.66
-     91.5000	  180.00	  175.58	 -896.57	  131.67
-     91.5500	  183.00	  175.86	 -893.84	  131.67
-     91.6000	  156.00	  176.18	 -921.16	  131.68
-     91.6500	  163.00	  176.55	 -914.54	  131.69
-     91.7000	  175.00	  177.00	 -902.99	  131.70
-     91.7500	  189.00	  177.54	 -889.53	  131.70
-     91.8000	  181.00	  178.21	 -898.19	  131.71
-     91.8500	  186.00	  179.05	 -894.04	  131.72
-     91.9000	  184.00	  180.21	 -897.20	  131.72
-     91.9500	  187.00	  181.94	 -895.93	  131.73
-     92.0000	  191.00	  184.79	 -894.77	  131.74
-     92.0500	  203.00	  189.74	 -887.73	  131.74
-     92.1000	  194.00	  198.41	 -905.40	  131.75
-     92.1500	  237.00	  212.94	 -876.92	  131.76
-     92.2000	  242.00	  235.42	 -894.40	  131.76
-     92.2500	  307.00	  266.92	 -860.91	  131.77
-     92.3000	  299.00	  306.10	 -908.09	  131.78
-     92.3500	  340.00	  348.05	 -909.03	  131.79
-     92.4000	  357.00	  383.78	 -927.77	  131.79
-     92.4500	  354.00	  401.61	 -948.59	  131.80
-     92.5000	  370.00	  393.85	 -924.83	  131.81
-     92.5500	  375.00	  364.03	 -890.01	  131.81
-     92.6000	  303.00	  323.33	 -921.31	  131.82
-     92.6500	  264.00	  282.19	 -919.18	  131.83
-     92.7000	  243.00	  247.24	 -905.23	  131.83
-     92.7500	  207.00	  221.11	 -915.10	  131.84
-     92.8000	  199.00	  203.59	 -905.57	  131.85
-     92.8500	  180.00	  192.82	 -913.80	  131.86
-     92.9000	  202.00	  186.59	 -885.57	  131.86
-     92.9500	  188.00	  183.05	 -896.03	  131.87
-     93.0000	  183.00	  180.96	 -898.95	  131.88
-     93.0500	  170.00	  179.63	 -910.62	  131.88
-     93.1000	  180.00	  178.69	 -899.67	  131.89
-     93.1500	  182.00	  177.97	 -896.96	  131.90
-     93.2000	  186.00	  177.40	 -892.38	  131.90
-     93.2500	  196.00	  176.93	 -881.91	  131.91
-     93.3000	  177.00	  176.54	 -900.52	  131.92
-     93.3500	  198.00	  176.21	 -879.19	  131.93
-     93.4000	  182.00	  175.93	 -894.91	  131.93
-     93.4500	  183.00	  175.69	 -893.67	  131.94
-     93.5000	  184.00	  175.48	 -892.47	  131.95
-     93.5500	  181.00	  175.31	 -895.29	  131.95
-     93.6000	  190.00	  175.15	 -886.14	  131.96
-     93.6500	  176.00	  175.02	 -900.00	  131.97
-     93.7000	  197.00	  174.90	 -878.88	  131.97
-     93.7500	  174.00	  174.79	 -901.78	  131.98
-     93.8000	  159.00	  174.70	 -916.68	  131.99
-     93.8500	  171.00	  174.62	 -904.60	  131.99
-     93.9000	  159.00	  174.54	 -916.53	  132.00
-     93.9500	  170.00	  174.48	 -905.46	  132.01
-     94.0000	  172.00	  174.42	 -903.41	  132.02
-     94.0500	  159.00	  174.37	 -916.35	  132.02
-     94.1000	  160.00	  174.32	 -915.31	  132.03
-     94.1500	  173.00	  174.28	 -902.26	  132.04
-     94.2000	  147.00	  174.24	 -928.23	  132.04
-     94.2500	  143.00	  174.21	 -932.19	  132.05
-     94.3000	  150.00	  174.18	 -925.16	  132.06
-     94.3500	  155.00	  174.15	 -920.14	  132.06
-     94.4000	  160.00	  174.13	 -915.11	  132.07
-     94.4500	  155.00	  174.10	 -920.09	  132.08
-     94.5000	  176.00	  174.08	 -899.07	  132.09
-     94.5500	  198.00	  173.97	 -876.95	  132.09
-     94.6000	  179.00	  173.95	 -895.94	  132.10
-     94.6500	  161.00	  173.94	 -913.92	  132.11
-     94.7000	  175.00	  173.93	 -899.91	  132.11
-     94.7500	  157.00	  173.92	 -917.90	  132.12
-     94.8000	  173.00	  173.91	 -901.89	  132.13
-     94.8500	  168.00	  173.90	 -906.89	  132.13
-     94.9000	  171.00	  173.89	 -903.88	  132.14
-     94.9500	  173.00	  173.89	 -901.87	  132.15
-     95.0000	  183.00	  173.89	 -891.87	  132.15
-     95.0500	  148.00	  173.88	 -926.87	  132.16
-     95.1000	  160.00	  173.88	 -914.86	  132.17
-     95.1500	  171.00	  173.88	 -903.86	  132.18
-     95.2000	  167.00	  173.88	 -907.86	  132.18
-     95.2500	  195.00	  173.88	 -879.86	  132.19
-     95.3000	  175.00	  173.88	 -899.86	  132.20
-     95.3500	  200.00	  173.88	 -874.86	  132.20
-     95.4000	  176.00	  173.88	 -898.87	  132.21
-     95.4500	  175.00	  173.88	 -899.87	  132.22
-     95.5000	  194.00	  173.89	 -880.87	  132.22
-     95.5500	  190.00	  173.89	 -884.88	  132.23
-     95.6000	  154.00	  173.89	 -920.88	  132.24
-     95.6500	  166.00	  173.90	 -908.88	  132.25
-     95.7000	  164.00	  173.90	 -910.89	  132.25
-     95.7500	  166.00	  173.91	 -908.89	  132.26
-     95.8000	  162.00	  173.92	 -912.90	  132.27
-     95.8500	  183.00	  173.92	 -891.91	  132.27
-     95.9000	  149.00	  173.93	 -925.91	  132.28
-     95.9500	  171.00	  173.94	 -903.92	  132.29
-     96.0000	  165.00	  173.94	 -909.93	  132.29
-     96.0500	  181.00	  173.95	 -893.94	  132.30
-     96.1000	  188.00	  173.96	 -886.95	  132.31
-     96.1500	  184.00	  173.97	 -890.95	  132.32
-     96.2000	  162.00	  173.98	 -912.96	  132.32
-     96.2500	  163.00	  173.99	 -911.97	  132.33
-     96.3000	  165.00	  174.00	 -909.98	  132.34
-     96.3500	  183.00	  174.01	 -891.99	  132.34
-     96.4000	  182.00	  174.02	 -893.00	  132.35
-     96.4500	  156.00	  174.03	 -919.02	  132.36
-     96.5000	  159.00	  174.04	 -916.03	  132.36
-     96.5500	  139.00	  174.05	 -936.04	  132.37
-     96.6000	  165.00	  174.07	 -910.05	  132.38
-     96.6500	  164.00	  174.08	 -911.06	  132.38
-     96.7000	  184.00	  174.09	 -891.08	  132.39
-     96.7500	  159.00	  174.11	 -916.09	  132.40
-     96.8000	  159.00	  174.12	 -916.11	  132.41
-     96.8500	  155.00	  174.14	 -920.12	  132.41
-     96.9000	  162.00	  174.16	 -913.15	  132.42
-     96.9500	  157.00	  174.18	 -918.17	  132.43
-     97.0000	  160.00	  174.20	 -915.18	  132.43
-     97.0500	  168.00	  174.21	 -907.20	  132.44
-     97.1000	  168.00	  174.23	 -907.22	  132.45
-     97.1500	  151.00	  174.25	 -924.23	  132.45
-     97.2000	  162.00	  174.27	 -913.25	  132.46
-     97.2500	  163.00	  174.29	 -912.27	  132.47
-     97.3000	  166.00	  174.31	 -909.29	  132.48
-     97.3500	  161.00	  174.33	 -914.31	  132.48
-     97.4000	  158.00	  174.35	 -917.33	  132.49
-     97.4500	  151.00	  174.37	 -924.36	  132.50
-     97.5000	  163.00	  174.39	 -912.38	  132.50
-     97.5500	  179.00	  174.42	 -896.40	  132.51
-     97.6000	  166.00	  174.44	 -909.43	  132.52
-     97.6500	  155.00	  174.47	 -920.45	  132.52
-     97.7000	  160.00	  174.49	 -915.48	  132.53
-     97.7500	  152.00	  174.52	 -923.51	  132.54
-     97.8000	  184.00	  174.55	 -891.53	  132.55
-     97.8500	  175.00	  174.58	 -900.56	  132.55
-     97.9000	  161.00	  174.61	 -914.60	  132.56
-     97.9500	  166.00	  174.64	 -909.63	  132.57
-     98.0000	  150.00	  174.68	 -925.66	  132.57
-     98.0500	  179.00	  174.71	 -896.70	  132.58
-     98.1000	  184.00	  174.75	 -891.73	  132.59
-     98.1500	  151.00	  174.79	 -924.77	  132.59
-     98.2000	  173.00	  174.83	 -902.81	  132.60
-     98.2500	  164.00	  174.87	 -911.85	  132.61
-     98.3000	  178.00	  174.91	 -897.90	  132.61
-     98.3500	  176.00	  174.96	 -899.94	  132.62
-     98.4000	  162.00	  175.01	 -913.99	  132.63
-     98.4500	  173.00	  175.06	 -903.04	  132.64
-     98.5000	  154.00	  175.11	 -922.10	  132.64
-     98.5500	  184.00	  175.17	 -892.15	  132.65
-     98.6000	  142.00	  175.23	 -934.21	  132.66
-     98.6500	  184.00	  175.29	 -892.28	  132.66
-     98.7000	  156.00	  175.36	 -920.35	  132.67
-     98.7500	  177.00	  175.43	 -899.42	  132.68
-     98.8000	  163.00	  175.51	 -913.49	  132.68
-     98.8500	  173.00	  175.59	 -903.58	  132.69
-     98.9000	  180.00	  175.68	 -896.66	  132.70
-     98.9500	  181.00	  175.77	 -895.76	  132.71
-     99.0000	  165.00	  175.87	 -911.85	  132.71
-     99.0500	  177.00	  175.98	 -899.96	  132.72
-     99.1000	  155.00	  176.09	 -922.08	  132.73
-     99.1500	  147.00	  176.22	 -930.20	  132.73
-     99.2000	  163.00	  176.35	 -914.33	  132.74
-     99.2500	  172.00	  176.49	 -905.48	  132.75
-     99.3000	  145.00	  176.65	 -932.64	  132.75
-     99.3500	  156.00	  176.82	 -921.81	  132.76
-     99.4000	  161.00	  177.01	 -916.99	  132.77
-     99.4500	  189.00	  177.21	 -889.20	  132.78
-     99.5000	  182.00	  177.44	 -896.42	  132.78
-     99.5500	  172.00	  177.69	 -906.67	  132.79
-     99.6000	  176.00	  177.96	 -902.95	  132.80
-     99.6500	  166.00	  178.27	 -913.25	  132.80
-     99.7000	  190.00	  178.61	 -889.59	  132.81
-     99.7500	  154.00	  178.99	 -925.97	  132.82
-     99.8000	  198.00	  179.42	 -882.40	  132.82
-     99.8500	  152.00	  179.90	 -928.88	  132.83
-     99.9000	  160.00	  180.45	 -921.43	  132.84
-     99.9500	  174.00	  181.08	 -908.06	  132.84
-    100.0000	  187.00	  181.80	 -895.78	  132.85
-    100.0500	  178.00	  182.64	 -905.62	  132.86
-    100.1000	  149.00	  183.61	 -935.60	  132.87
-    100.1500	  171.00	  184.76	 -914.74	  132.87
-    100.2000	  185.00	  186.13	 -902.11	  132.88
-    100.2500	  207.00	  187.78	 -881.76	  132.89
-    100.3000	  184.00	  189.84	 -906.83	  132.89
-    100.3500	  187.00	  192.55	 -906.53	  132.90
-    100.4000	  231.00	  196.37	 -866.36	  132.91
-    100.4500	  226.00	  202.25	 -877.24	  132.91
-    100.5000	  203.00	  211.95	 -909.93	  132.92
-    100.5500	  214.00	  228.39	 -915.37	  132.93
-    100.6000	  279.00	  255.75	 -877.73	  132.94
-    100.6500	  319.00	  299.13	 -881.11	  132.94
-    100.7000	  397.00	  362.61	 -866.59	  132.95
-    100.7500	  435.00	  447.48	 -913.46	  132.96
-    100.8000	  539.00	  549.34	 -911.33	  132.96
-    100.8500	  665.00	  655.76	 -891.75	  132.97
-    100.9000	  724.00	  745.78	 -922.77	  132.98
-    100.9500	  723.00	  792.84	 -970.83	  132.98
-    101.0000	  783.00	  778.76	 -896.75	  132.99
-    101.0500	  719.00	  709.32	 -891.31	  133.00
-    101.1000	  585.00	  608.89	 -924.87	  133.00
-    101.1500	  465.00	  502.43	 -938.42	  133.01
-    101.2000	  371.00	  407.16	 -937.14	  133.02
-    101.2500	  328.00	  331.70	 -904.69	  133.03
-    101.3000	  277.00	  277.63	 -901.61	  133.03
-    101.3500	  248.00	  242.09	 -895.08	  133.04
-    101.4000	  209.00	  220.21	 -912.20	  133.05
-    101.4500	  221.00	  207.24	 -887.23	  133.05
-    101.5000	  198.00	  199.55	 -902.53	  133.06
-    101.5500	  203.00	  194.76	 -892.74	  133.07
-    101.6000	  188.00	  191.53	 -904.52	  133.07
-    101.6500	  207.00	  189.17	 -883.15	  133.08
-    101.7000	  195.00	  187.32	 -893.31	  133.09
-    101.7500	  170.00	  185.82	 -916.81	  133.10
-    101.8000	  192.00	  184.58	 -893.56	  133.10
-    101.8500	  172.00	  183.53	 -912.51	  133.11
-    101.9000	  185.00	  182.63	 -898.62	  133.12
-    101.9500	  183.00	  181.87	 -899.85	  133.12
-    102.0000	  211.00	  181.20	 -871.19	  133.13
-    102.0500	  147.00	  180.63	 -934.61	  133.14
-    102.1000	  176.00	  180.12	 -905.11	  133.14
-    102.1500	  186.00	  179.68	 -894.67	  133.15
-    102.2000	  171.00	  179.29	 -909.27	  133.16
-    102.2500	  169.00	  178.94	 -910.93	  133.17
-    102.3000	  192.00	  178.64	 -887.62	  133.17
-    102.3500	  215.00	  178.36	 -864.35	  133.18
-    102.4000	  146.00	  178.11	 -933.10	  133.19
-    102.4500	  169.00	  177.89	 -909.88	  133.19
-    102.5000	  188.00	  177.69	 -890.68	  133.20
-    102.5500	  175.00	  177.51	 -903.49	  133.21
-    102.6000	  165.00	  177.35	 -913.33	  133.21
-    102.6500	  184.00	  177.20	 -894.18	  133.22
-    102.7000	  172.00	  177.06	 -906.04	  133.23
-    102.7500	  179.00	  176.94	 -898.92	  133.23
-    102.8000	  163.00	  176.82	 -914.81	  133.24
-    102.8500	  167.00	  176.72	 -910.70	  133.25
-    102.9000	  179.00	  176.62	 -898.61	  133.26
-    102.9500	  171.00	  176.53	 -906.52	  133.26
-    103.0000	  181.00	  176.45	 -896.44	  133.27
-    103.0500	  171.00	  176.38	 -906.36	  133.28
-    103.1000	  180.00	  176.31	 -897.30	  133.28
-    103.1500	  173.00	  176.25	 -904.23	  133.29
-    103.2000	  167.00	  176.19	 -910.17	  133.30
-    103.2500	  186.00	  176.13	 -891.12	  133.30
-    103.3000	  176.00	  176.09	 -901.07	  133.31
-    103.3500	  191.00	  176.04	 -886.02	  133.32
-    103.4000	  170.00	  176.00	 -906.98	  133.33
-    103.4500	  167.00	  175.94	 -909.92	  133.33
-    103.5000	  165.00	  175.90	 -911.89	  133.34
-    103.5500	  182.00	  175.87	 -894.85	  133.35
-    103.6000	  173.00	  175.84	 -903.82	  133.35
-    103.6500	  186.00	  175.81	 -890.79	  133.36
-    103.7000	  161.00	  175.78	 -915.77	  133.37
-    103.7500	  166.00	  175.76	 -910.74	  133.37
-    103.8000	  157.00	  175.73	 -919.72	  133.38
-    103.8500	  170.00	  175.71	 -906.70	  133.39
-    103.9000	  183.00	  175.70	 -893.68	  133.40
-    103.9500	  179.00	  175.68	 -897.66	  133.40
-    104.0000	  164.00	  175.66	 -912.65	  133.41
-    104.0500	  169.00	  175.65	 -907.63	  133.42
-    104.1000	  161.00	  175.64	 -915.62	  133.42
-    104.1500	  156.00	  175.63	 -920.61	  133.43
-    104.2000	  163.00	  175.62	 -913.60	  133.44
-    104.2500	  174.00	  175.61	 -902.59	  133.44
-    104.3000	  161.00	  175.60	 -915.59	  133.45
-    104.3500	  169.00	  175.75	 -907.74	  133.46
-    104.4000	  158.00	  175.75	 -918.73	  133.46
-    104.4500	  180.00	  175.75	 -896.73	  133.47
-    104.5000	  171.00	  175.75	 -905.73	  133.48
-    104.5500	  165.00	  175.75	 -911.74	  133.49
-    104.6000	  163.00	  175.76	 -913.74	  133.49
-    104.6500	  172.00	  175.77	 -904.75	  133.50
-    104.7000	  164.00	  175.79	 -912.77	  133.51
-    104.7500	  174.00	  175.81	 -902.80	  133.51
-    104.8000	  178.00	  175.85	 -898.84	  133.52
-    104.8500	  154.00	  175.93	 -922.91	  133.53
-    104.9000	  176.00	  176.05	 -901.03	  133.53
-    104.9500	  142.00	  176.24	 -935.23	  133.54
-    105.0000	  163.00	  176.52	 -914.51	  133.55
-    105.0500	  177.00	  176.91	 -900.89	  133.56
-    105.1000	  194.00	  177.38	 -884.37	  133.56
-    105.1500	  176.00	  177.91	 -902.90	  133.57
-    105.2000	  207.00	  178.41	 -872.39	  133.58
-    105.2500	  158.00	  178.77	 -921.75	  133.58
-    105.3000	  151.00	  178.87	 -928.85	  133.59
-    105.3500	  183.00	  178.68	 -896.66	  133.60
-    105.4000	  159.00	  178.27	 -920.25	  133.60
-    105.4500	  179.00	  177.76	 -899.74	  133.61
-    105.5000	  170.00	  177.25	 -908.23	  133.62
-    105.5500	  192.00	  176.81	 -885.79	  133.62
-    105.6000	  160.00	  176.47	 -917.45	  133.63
-    105.6500	  168.00	  176.23	 -909.21	  133.64
-    105.7000	  183.00	  176.07	 -894.05	  133.65
-    105.7500	  163.00	  175.97	 -913.96	  133.65
-    105.8000	  162.00	  175.92	 -914.90	  133.66
-    105.8500	  182.00	  175.89	 -894.88	  133.67
-    105.9000	  154.00	  175.88	 -922.86	  133.67
-    105.9500	  180.00	  175.87	 -896.85	  133.68
-    106.0000	  168.00	  175.87	 -908.85	  133.69
-    106.0500	  166.00	  175.87	 -910.85	  133.69
-    106.1000	  155.00	  175.87	 -921.86	  133.70
-    106.1500	  190.00	  175.88	 -886.86	  133.71
-    106.2000	  165.00	  175.88	 -911.87	  133.72
-    106.2500	  163.00	  175.89	 -913.87	  133.72
-    106.3000	  183.00	  175.90	 -893.88	  133.73
-    106.3500	  165.00	  175.91	 -911.89	  133.74
-    106.4000	  173.00	  175.92	 -903.90	  133.74
-    106.4500	  163.00	  175.93	 -913.91	  133.75
-    106.5000	  151.00	  175.94	 -925.93	  133.76
-    106.5500	  198.00	  175.95	 -878.94	  133.76
-    106.6000	  165.00	  175.97	 -911.95	  133.77
-    106.6500	  157.00	  175.98	 -919.97	  133.78
-    106.7000	  159.00	  176.00	 -917.98	  133.79
-    106.7500	  177.00	  176.01	 -900.00	  133.79
-    106.8000	  156.00	  176.03	 -921.01	  133.80
-    106.8500	  182.00	  176.05	 -895.03	  133.81
-    106.9000	  181.00	  176.06	 -896.05	  133.81
-    106.9500	  158.00	  176.08	 -919.07	  133.82
-    107.0000	  176.00	  176.10	 -901.09	  133.83
-    107.0500	  163.00	  176.12	 -914.11	  133.83
-    107.1000	  156.00	  176.14	 -921.13	  133.84
-    107.1500	  213.00	  176.17	 -864.15	  133.85
-    107.2000	  172.00	  176.19	 -905.17	  133.85
-    107.2500	  170.00	  176.21	 -907.20	  133.86
-    107.3000	  168.00	  176.24	 -909.22	  133.87
-    107.3500	  169.00	  176.27	 -908.25	  133.88
-    107.4000	  169.00	  176.29	 -908.28	  133.88
-    107.4500	  168.00	  176.32	 -909.31	  133.89
-    107.5000	  155.00	  176.35	 -922.34	  133.90
-    107.5500	  164.00	  176.39	 -913.37	  133.90
-    107.6000	  168.00	  176.42	 -909.40	  133.91
-    107.6500	  144.00	  176.45	 -933.44	  133.92
-    107.7000	  166.00	  176.49	 -911.48	  133.92
-    107.7500	  172.00	  176.53	 -905.52	  133.93
-    107.8000	  156.00	  176.57	 -921.56	  133.94
-    107.8500	  154.00	  176.62	 -923.60	  133.95
-    107.9000	  143.00	  176.66	 -934.65	  133.95
-    107.9500	  152.00	  176.71	 -925.70	  133.96
-    108.0000	  174.00	  176.77	 -903.75	  133.97
-    108.0500	  168.00	  176.83	 -909.81	  133.97
-    108.1000	  164.00	  176.89	 -913.87	  133.98
-    108.1500	  160.00	  176.95	 -917.94	  133.99
-    108.2000	  176.00	  177.02	 -902.01	  133.99
-    108.2500	  174.00	  177.10	 -904.09	  134.00
-    108.3000	  175.00	  177.19	 -903.17	  134.01
-    108.3500	  163.00	  177.28	 -915.26	  134.02
-    108.4000	  169.00	  177.38	 -909.36	  134.02
-    108.4500	  180.00	  177.49	 -898.48	  134.03
-    108.5000	  159.00	  177.61	 -919.60	  134.04
-    108.5500	  173.00	  177.75	 -905.73	  134.04
-    108.6000	  148.00	  177.90	 -930.89	  134.05
-    108.6500	  169.00	  178.07	 -910.06	  134.06
-    108.7000	  167.00	  178.27	 -912.25	  134.06
-    108.7500	  168.00	  178.49	 -911.47	  134.07
-    108.8000	  175.00	  178.74	 -904.73	  134.08
-    108.8500	  163.00	  179.03	 -917.02	  134.08
-    108.9000	  164.00	  179.38	 -916.36	  134.09
-    108.9500	  189.00	  179.79	 -891.77	  134.10
-    109.0000	  192.00	  180.30	 -889.28	  134.11
-    109.0500	  181.00	  180.95	 -900.94	  134.11
-    109.1000	  202.00	  181.87	 -880.85	  134.12
-    109.1500	  190.00	  183.24	 -894.22	  134.13
-    109.2000	  163.00	  185.39	 -923.37	  134.13
-    109.2500	  216.00	  188.85	 -873.84	  134.14
-    109.3000	  220.00	  194.37	 -875.35	  134.15
-    109.3500	  230.00	  202.80	 -873.79	  134.15
-    109.4000	  255.00	  214.96	 -860.95	  134.16
-    109.4500	  253.00	  231.27	 -879.25	  134.17
-    109.5000	  273.00	  251.35	 -879.34	  134.18
-    109.5500	  296.00	  273.72	 -878.71	  134.18
-    109.6000	  300.00	  295.52	 -896.50	  134.19
-    109.6500	  331.00	  312.52	 -882.51	  134.20
-    109.7000	  347.00	  320.10	 -874.08	  134.20
-    109.7500	  349.00	  315.69	 -867.67	  134.21
-    109.8000	  341.00	  300.84	 -860.82	  134.22
-    109.8500	  332.00	  279.93	 -848.91	  134.22
-    109.9000	  298.00	  257.43	 -860.41	  134.23
-    109.9500	  259.00	  236.59	 -878.58	  134.24
-    110.0000	  227.00	  219.26	 -893.25	  134.24
-    110.0500	  203.00	  206.06	 -904.04	  134.24
-    110.1000	  222.00	  196.75	 -875.74	  134.24
-    110.1500	  175.00	  190.60	 -916.58	  134.24
-    110.2000	  183.00	  186.72	 -904.70	  134.24
-    110.2500	  197.00	  184.33	 -888.31	  134.24
-    110.3000	  176.00	  182.85	 -907.83	  134.24
-    110.3500	  179.00	  181.89	 -903.87	  134.24
-    110.4000	  176.00	  181.23	 -906.22	  134.24
-    110.4500	  178.00	  180.75	 -903.73	  134.24
-    110.5000	  210.00	  180.37	 -871.36	  134.24
-    110.5500	  181.00	  180.07	 -900.06	  134.24
-    110.6000	  167.00	  179.83	 -913.81	  134.24
-    110.6500	  165.00	  179.63	 -915.61	  134.24
-    110.7000	  172.00	  179.46	 -908.45	  134.24
-    110.7500	  175.00	  179.32	 -905.31	  134.24
-    110.8000	  177.00	  179.21	 -903.20	  134.23
-    110.8500	  194.00	  179.12	 -886.11	  134.23
-    110.9000	  171.00	  179.05	 -909.04	  134.23
-    110.9500	  177.00	  179.00	 -902.98	  134.23
-    111.0000	  188.00	  178.96	 -891.94	  134.23
-    111.0500	  175.00	  178.93	 -904.91	  134.23
-    111.1000	  194.00	  178.91	 -885.90	  134.23
-    111.1500	  179.00	  178.91	 -900.89	  134.23
-    111.2000	  171.00	  178.91	 -908.90	  134.23
-    111.2500	  165.00	  178.92	 -914.91	  134.23
-    111.3000	  183.00	  178.95	 -896.93	  134.23
-    111.3500	  184.00	  178.98	 -895.96	  134.23
-    111.4000	  187.00	  179.02	 -893.00	  134.23
-    111.4500	  178.00	  179.07	 -902.05	  134.23
-    111.5000	  172.00	  179.12	 -908.10	  134.23
-    111.5500	  179.00	  179.18	 -901.16	  134.23
-    111.6000	  205.00	  179.25	 -875.23	  134.22
-    111.6500	  168.00	  179.33	 -912.31	  134.22
-    111.7000	  161.00	  179.41	 -919.39	  134.22
-    111.7500	  182.00	  179.50	 -898.49	  134.22
-    111.8000	  167.00	  179.60	 -913.59	  134.22
-    111.8500	  193.00	  179.72	 -887.70	  134.22
-    111.9000	  188.00	  179.84	 -892.82	  134.22
-    111.9500	  204.00	  179.97	 -876.95	  134.22
-    112.0000	  179.00	  180.11	 -902.09	  134.22
-    112.0500	  176.00	  180.26	 -905.25	  134.22
-    112.1000	  185.00	  180.43	 -896.41	  134.22
-    112.1500	  174.00	  180.60	 -907.59	  134.22
-    112.2000	  175.00	  180.80	 -906.78	  134.22
-    112.2500	  198.00	  181.01	 -883.99	  134.22
-    112.3000	  199.00	  181.23	 -883.22	  134.22
-    112.3500	  207.00	  181.48	 -875.46	  134.21
-    112.4000	  204.00	  181.75	 -878.73	  134.21
-    112.4500	  180.00	  182.03	 -903.02	  134.21
-    112.5000	  137.00	  182.35	 -946.33	  134.21
-    112.5500	  179.00	  182.69	 -904.68	  134.21
-    112.6000	  183.00	  183.07	 -901.05	  134.21
-    112.6500	  166.00	  183.48	 -918.46	  134.21
-    112.7000	  166.00	  183.87	 -918.85	  134.21
-    112.7500	  189.00	  184.36	 -896.35	  134.21
-    112.8000	  181.00	  184.91	 -904.89	  134.21
-    112.8500	  194.00	  185.51	 -892.50	  134.21
-    112.9000	  171.00	  186.18	 -916.17	  134.21
-    112.9500	  202.00	  186.93	 -885.91	  134.21
-    113.0000	  216.00	  187.76	 -872.74	  134.21
-    113.0500	  198.00	  188.69	 -891.68	  134.21
-    113.1000	  189.00	  189.74	 -901.73	  134.20
-    113.1500	  170.00	  190.94	 -921.92	  134.20
-    113.2000	  182.00	  192.29	 -911.28	  134.20
-    113.2500	  195.00	  193.84	 -899.83	  134.20
-    113.3000	  177.00	  195.63	 -919.61	  134.20
-    113.3500	  180.00	  197.71	 -918.69	  134.20
-    113.4000	  195.00	  200.15	 -906.14	  134.20
-    113.4500	  201.00	  203.09	 -903.07	  134.20
-    113.5000	  203.00	  206.73	 -904.71	  134.20
-    113.5500	  200.00	  211.45	 -912.43	  134.20
-    113.6000	  209.00	  217.97	 -909.95	  134.20
-    113.6500	  231.00	  227.56	 -897.54	  134.20
-    113.7000	  281.00	  242.32	 -862.31	  134.20
-    113.7500	  287.00	  265.54	 -879.52	  134.20
-    113.8000	  324.00	  301.73	 -878.71	  134.20
-    113.8500	  395.00	  356.33	 -862.32	  134.20
-    113.9000	  457.00	  434.83	 -878.82	  134.19
-    113.9500	  580.00	  540.82	 -861.80	  134.19
-    114.0000	  685.00	  674.16	 -890.14	  134.19
-    114.0500	  873.00	  828.58	 -856.57	  134.19
-    114.1000	  964.00	  990.11	 -927.10	  134.19
-    114.1500	 1126.00	 1136.45	 -911.44	  134.19
-    114.2000	 1266.00	 1238.15	 -873.13	  134.19
-    114.2500	 1307.00	 1268.02	 -862.00	  134.19
-    114.3000	 1221.00	 1216.64	 -896.63	  134.19
-    114.3500	 1096.00	 1099.80	 -904.78	  134.19
-    114.4000	  978.00	  946.64	 -869.63	  134.19
-    114.4500	  792.00	  785.26	 -894.24	  134.19
-    114.5000	  600.00	  635.61	 -936.59	  134.19
-    114.5500	  487.00	  509.45	 -923.44	  134.19
-    114.6000	  358.00	  411.22	 -954.21	  134.19
-    114.6500	  279.00	  339.77	 -961.75	  134.18
-    114.7000	  265.00	  290.82	 -926.80	  134.18
-    114.7500	  258.00	  258.74	 -901.73	  134.18
-    114.8000	  244.00	  238.29	 -895.27	  134.18
-    114.8500	  226.00	  225.27	 -900.26	  134.18
-    114.9000	  227.00	  216.76	 -890.74	  134.18
-    114.9500	  188.00	  210.89	 -923.87	  134.18
-    115.0000	  195.00	  206.58	 -912.56	  134.18
-    115.0500	  211.00	  203.23	 -893.21	  134.18
-    115.1000	  205.00	  200.51	 -896.50	  134.18
-    115.1500	  198.00	  198.25	 -901.23	  134.18
-    115.2000	  218.00	  196.33	 -879.31	  134.18
-    115.2500	  200.00	  194.69	 -895.67	  134.18
-    115.3000	  200.00	  193.27	 -894.25	  134.18
-    115.3500	  188.00	  192.04	 -905.02	  134.18
-    115.4000	  209.00	  190.97	 -882.95	  134.18
-    115.4500	  184.00	  190.04	 -907.02	  134.17
-    115.5000	  186.00	  189.22	 -904.20	  134.17
-    115.5500	  202.00	  188.50	 -887.48	  134.17
-    115.6000	  183.00	  187.87	 -905.85	  134.17
-    115.6500	  187.00	  187.31	 -901.30	  134.17
-    115.7000	  182.00	  186.82	 -905.81	  134.17
-    115.7500	  185.00	  186.39	 -902.38	  134.17
-    115.8000	  213.00	  186.02	 -874.00	  134.17
-    115.8500	  177.00	  185.69	 -909.68	  134.17
-    115.9000	  199.00	  185.41	 -887.39	  134.17
-    115.9500	  185.00	  185.16	 -901.14	  134.17
-    116.0000	  184.00	  184.95	 -901.93	  134.17
-    116.0500	  191.00	  184.77	 -894.76	  134.17
-    116.1000	  173.00	  184.63	 -912.61	  134.17
-    116.1500	  196.00	  184.51	 -889.49	  134.17
-    116.2000	  201.00	  184.42	 -884.40	  134.16
-    116.2500	  173.00	  184.35	 -912.34	  134.16
-    116.3000	  178.00	  184.31	 -907.30	  134.16
-    116.3500	  161.00	  184.30	 -924.28	  134.16
-    116.4000	  208.00	  184.31	 -877.29	  134.16
-    116.4500	  183.00	  184.34	 -902.32	  134.16
-    116.5000	  183.00	  184.39	 -902.38	  134.16
-    116.5500	  173.00	  184.47	 -912.45	  134.16
-    116.6000	  184.00	  184.57	 -901.56	  134.16
-    116.6500	  215.00	  184.70	 -870.68	  134.16
-    116.7000	  201.00	  184.85	 -884.83	  134.16
-    116.7500	  193.00	  185.02	 -893.01	  134.16
-    116.8000	  190.00	  185.23	 -896.21	  134.16
-    116.8500	  216.00	  185.46	 -870.44	  134.16
-    116.9000	  195.00	  185.72	 -891.71	  134.16
-    116.9500	  203.00	  186.01	 -884.00	  134.16
-    117.0000	  183.00	  186.34	 -904.33	  134.15
-    117.0500	  203.00	  186.71	 -884.69	  134.15
-    117.1000	  187.00	  187.11	 -901.10	  134.15
-    117.1500	  216.00	  187.56	 -872.55	  134.15
-    117.2000	  191.00	  188.16	 -898.14	  134.15
-    117.2500	  189.00	  188.71	 -900.70	  134.15
-    117.3000	  189.00	  189.32	 -901.31	  134.15
-    117.3500	  226.00	  190.00	 -864.98	  134.15
-    117.4000	  185.00	  190.75	 -906.73	  134.15
-    117.4500	  194.00	  191.58	 -898.57	  134.15
-    117.5000	  185.00	  192.51	 -908.49	  134.15
-    117.5500	  213.00	  193.54	 -881.52	  134.15
-    117.6000	  197.00	  194.69	 -898.67	  134.15
-    117.6500	  198.00	  195.97	 -898.96	  134.15
-    117.7000	  168.00	  197.42	 -930.40	  134.15
-    117.7500	  209.00	  199.05	 -891.03	  134.14
-    117.8000	  185.00	  200.89	 -916.87	  134.14
-    117.8500	  208.00	  202.98	 -895.97	  134.14
-    117.9000	  213.00	  205.37	 -893.35	  134.14
-    117.9500	  203.00	  208.11	 -906.10	  134.14
-    118.0000	  225.00	  211.29	 -887.27	  134.14
-    118.0500	  214.00	  215.01	 -902.00	  134.14
-    118.1000	  233.00	  219.46	 -887.44	  134.14
-    118.1500	  245.00	  224.94	 -880.93	  134.14
-    118.2000	  236.00	  231.99	 -896.97	  134.14
-    118.2500	  245.00	  241.54	 -897.52	  134.14
-    118.3000	  305.00	  255.22	 -851.20	  134.14
-    118.3500	  287.00	  275.64	 -889.63	  134.14
-    118.4000	  317.00	  306.81	 -890.80	  134.14
-    118.4500	  421.00	  354.17	 -834.16	  134.14
-    118.5000	  422.00	  424.56	 -903.54	  134.14
-    118.5500	  590.00	  525.17	 -836.16	  134.13
-    118.6000	  701.00	  662.01	 -861.99	  134.13
-    118.6500	  861.00	  837.77	 -877.76	  134.13
-    118.7000	 1054.00	 1048.87	 -895.86	  134.13
-    118.7500	 1232.00	 1283.96	 -952.95	  134.13
-    118.8000	 1483.00	 1521.78	 -939.76	  134.13
-    118.8500	 1694.00	 1730.88	 -937.86	  134.13
-    118.9000	 1819.00	 1872.93	 -954.91	  134.13
-    118.9500	 1845.00	 1913.69	 -969.67	  134.13
-    119.0000	 1866.00	 1842.01	 -876.99	  134.13
-    119.0500	 1726.00	 1677.15	 -852.13	  134.13
-    119.1000	 1492.00	 1456.27	 -865.25	  134.13
-    119.1500	 1232.00	 1216.37	 -885.36	  134.13
-    119.2000	  971.00	  986.34	 -916.32	  134.13
-    119.2500	  753.00	  784.32	 -932.30	  134.13
-    119.3000	  626.00	  619.44	 -894.42	  134.12
-    119.3500	  487.00	  493.20	 -907.19	  134.12
-    119.4000	  409.00	  401.71	 -893.70	  134.12
-    119.4500	  342.00	  338.51	 -897.50	  134.12
-    119.5000	  307.00	  296.30	 -890.28	  134.12
-    119.5500	  296.00	  268.60	 -873.59	  134.12
-    119.6000	  231.00	  250.37	 -920.36	  134.12
-    119.6500	  246.00	  238.03	 -893.01	  134.12
-    119.7000	  220.00	  229.27	 -910.25	  134.12
-    119.7500	  255.00	  222.70	 -868.68	  134.12
-    119.8000	  214.00	  217.51	 -904.49	  134.12
-    119.8500	  247.00	  213.24	 -867.23	  134.12
-    119.9000	  238.00	  209.65	 -872.63	  134.12
-    119.9500	  218.00	  206.56	 -889.54	  134.12
-    120.0000	  222.00	  203.88	 -882.86	  134.12
-    120.0500	  218.00	  201.53	 -884.52	  134.12
-    120.1000	  253.00	  199.47	 -847.45	  134.11
-    120.1500	  197.00	  197.64	 -901.63	  134.11
-    120.2000	  190.00	  196.02	 -907.00	  134.11
-    120.2500	  221.00	  194.57	 -874.55	  134.11
-    120.3000	  204.00	  193.26	 -890.25	  134.11
-    120.3500	  206.00	  192.09	 -887.08	  134.11
-    120.4000	  189.00	  191.04	 -903.02	  134.11
-    120.4500	  231.00	  190.08	 -860.06	  134.11
-    120.5000	  190.00	  189.21	 -900.19	  134.11
-    120.5500	  191.00	  188.42	 -898.40	  134.11
-    120.6000	  211.00	  187.69	 -877.68	  134.11
-    120.6500	  204.00	  187.03	 -884.01	  134.11
-    120.7000	  200.00	  186.42	 -887.40	  134.11
-    120.7500	  199.00	  185.86	 -887.84	  134.11
-    120.8000	  190.00	  185.34	 -896.32	  134.11
-    120.8500	  195.00	  184.86	 -890.85	  134.10
-    120.9000	  179.00	  184.42	 -906.40	  134.10
-    120.9500	  189.00	  184.01	 -895.99	  134.10
-    121.0000	  190.00	  183.62	 -894.61	  134.10
-    121.0500	  195.00	  183.27	 -889.25	  134.10
-    121.1000	  193.00	  182.93	 -890.92	  134.10
-    121.1500	  173.00	  182.62	 -910.61	  134.10
-    121.2000	  183.00	  182.33	 -900.32	  134.10
-    121.2500	  181.00	  182.06	 -902.04	  134.10
-    121.3000	  203.00	  181.80	 -879.79	  134.10
-    121.3500	  177.00	  181.56	 -905.55	  134.10
-    121.4000	  201.00	  181.34	 -881.32	  134.10
-    121.4500	  179.00	  181.12	 -903.11	  134.10
-    121.5000	  179.00	  180.92	 -902.91	  134.10
-    121.5500	  194.00	  180.73	 -887.72	  134.10
-    121.6000	  158.00	  180.55	 -923.54	  134.10
-    121.6500	  195.00	  180.38	 -886.37	  134.09
-    121.7000	  201.00	  180.22	 -880.21	  134.09
-    121.7500	  192.00	  180.07	 -889.06	  134.09
-    121.8000	  189.00	  179.93	 -891.91	  134.09
-    121.8500	  186.00	  179.79	 -894.78	  134.09
-    121.9000	  170.00	  179.66	 -910.65	  134.09
-    121.9500	  166.00	  179.54	 -914.52	  134.09
-    122.0000	  185.00	  179.42	 -895.40	  134.09
-    122.0500	  197.00	  179.31	 -883.29	  134.09
-    122.1000	  177.00	  179.20	 -903.19	  134.09
-    122.1500	  198.00	  179.10	 -882.08	  134.09
-    122.2000	  174.00	  179.00	 -905.99	  134.09
-    122.2500	  171.00	  178.91	 -908.89	  134.09
-    122.3000	  190.00	  178.82	 -889.80	  134.09
-    122.3500	  214.00	  178.74	 -865.72	  134.09
-    122.4000	  189.00	  178.65	 -890.64	  134.08
-    122.4500	  174.00	  178.58	 -905.56	  134.08
-    122.5000	  171.00	  178.50	 -908.49	  134.08
-    122.5500	  163.00	  178.42	 -916.40	  134.08
-    122.6000	  174.00	  178.35	 -905.34	  134.08
-    122.6500	  177.00	  178.29	 -902.27	  134.08
-    122.7000	  180.00	  178.22	 -899.21	  134.08
-    122.7500	  186.00	  178.17	 -893.15	  134.08
-    122.8000	  190.00	  178.11	 -889.09	  134.08
-    122.8500	  170.00	  178.05	 -909.04	  134.08
-    122.9000	  175.00	  178.00	 -903.99	  134.08
-    122.9500	  194.00	  177.95	 -884.94	  134.08
-    123.0000	  175.00	  177.91	 -903.89	  134.08
-    123.0500	  194.00	  177.86	 -884.85	  134.08
-    123.1000	  189.00	  177.82	 -889.81	  134.08
-    123.1500	  222.00	  177.79	 -856.77	  134.08
-    123.2000	  178.00	  177.75	 -900.74	  134.07
-    123.2500	  158.00	  177.73	 -920.71	  134.07
-    123.3000	  191.00	  177.71	 -887.70	  134.07
-    123.3500	  184.00	  177.71	 -894.70	  134.07
-    123.4000	  190.00	  177.73	 -888.71	  134.07
-    123.4500	  183.00	  177.76	 -895.75	  134.07
-    123.5000	  178.00	  177.82	 -900.81	  134.07
-    123.5500	  204.00	  177.91	 -874.89	  134.07
-    123.6000	  192.00	  178.01	 -886.99	  134.07
-    123.6500	  200.00	  178.13	 -879.11	  134.07
-    123.7000	  182.00	  178.25	 -897.23	  134.07
-    123.7500	  171.00	  178.36	 -908.34	  134.07
-    123.8000	  186.00	  178.43	 -893.41	  134.07
-    123.8500	  197.00	  178.45	 -882.43	  134.07
-    123.9000	  174.00	  178.40	 -905.39	  134.07
-    123.9500	  167.00	  178.30	 -912.28	  134.06
-    124.0000	  178.00	  178.15	 -901.13	  134.06
-    124.0500	  198.00	  177.98	 -880.96	  134.06
-    124.1000	  205.00	  177.80	 -873.79	  134.06
-    124.1500	  216.00	  177.64	 -862.62	  134.06
-    124.2000	  200.00	  177.49	 -878.48	  134.06
-    124.2500	  204.00	  177.37	 -874.35	  134.06
-    124.3000	  190.00	  177.27	 -888.25	  134.06
-    124.3500	  188.00	  177.19	 -890.17	  134.06
-    124.4000	  191.00	  177.12	 -887.11	  134.06
-    124.4500	  186.00	  177.08	 -892.06	  134.06
-    124.5000	  175.00	  177.04	 -903.02	  134.06
-    124.5500	  175.00	  177.01	 -902.99	  134.06
-    124.6000	  174.00	  176.98	 -903.97	  134.06
-    124.6500	  194.00	  176.96	 -883.94	  134.06
-    124.7000	  181.00	  176.94	 -896.92	  134.06
-    124.7500	  161.00	  176.92	 -916.91	  134.05
-    124.8000	  186.00	  176.90	 -891.89	  134.05
-    124.8500	  200.00	  176.89	 -877.87	  134.05
-    124.9000	  168.00	  176.87	 -909.86	  134.05
-    124.9500	  177.00	  176.86	 -900.84	  134.05
-    125.0000	  188.00	  176.85	 -889.83	  134.05
-    125.0500	  177.00	  176.83	 -900.82	  134.05
-    125.1000	  163.00	  176.82	 -914.81	  134.05
-    125.1500	  175.00	  176.81	 -902.79	  134.05
-    125.2000	  188.00	  176.80	 -889.78	  134.05
-    125.2500	  176.00	  176.79	 -901.77	  134.05
-    125.3000	  172.00	  176.78	 -905.76	  134.05
-    125.3500	  172.00	  176.77	 -905.75	  134.05
-    125.4000	  181.00	  176.76	 -896.75	  134.05
-    125.4500	  186.00	  176.75	 -891.74	  134.05
-    125.5000	  181.00	  176.75	 -896.73	  134.04
-    125.5500	  193.00	  176.74	 -884.72	  134.04
-    125.6000	  177.00	  176.73	 -900.72	  134.04
-    125.6500	  176.00	  176.73	 -901.71	  134.04
-    125.7000	  194.00	  176.72	 -883.71	  134.04
-    125.7500	  179.00	  176.72	 -898.70	  134.04
-    125.8000	  147.00	  176.71	 -930.70	  134.04
-    125.8500	  186.00	  176.71	 -891.69	  134.04
-    125.9000	  182.00	  176.71	 -895.69	  134.04
-    125.9500	  165.00	  176.70	 -912.69	  134.04
-    126.0000	  164.00	  176.70	 -913.69	  134.04
-    126.0500	  199.00	  176.70	 -878.69	  134.04
-    126.1000	  167.00	  176.70	 -910.68	  134.04
-    126.1500	  184.00	  176.70	 -893.68	  134.04
-    126.2000	  203.00	  176.70	 -874.69	  134.04
-    126.2500	  190.00	  176.70	 -887.69	  134.04
-    126.3000	  182.00	  176.70	 -895.69	  134.03
-    126.3500	  180.00	  176.71	 -897.69	  134.03
-    126.4000	  179.00	  176.71	 -898.69	  134.03
-    126.4500	  179.00	  176.71	 -898.70	  134.03
-    126.5000	  170.00	  176.72	 -907.70	  134.03
-    126.5500	  176.00	  176.72	 -901.71	  134.03
-    126.6000	  178.00	  176.73	 -899.72	  134.03
-    126.6500	  185.00	  176.74	 -892.72	  134.03
-    126.7000	  193.00	  176.75	 -884.73	  134.03
-    126.7500	  192.00	  176.76	 -885.74	  134.03
-    126.8000	  198.00	  176.77	 -879.75	  134.03
-    126.8500	  195.00	  176.78	 -882.77	  134.03
-    126.9000	  165.00	  176.80	 -912.78	  134.03
-    126.9500	  189.00	  176.81	 -888.80	  134.03
-    127.0000	  175.00	  176.83	 -902.81	  134.03
-    127.0500	  176.00	  176.85	 -901.83	  134.02
-    127.1000	  184.00	  176.87	 -893.85	  134.02
-    127.1500	  179.00	  176.89	 -898.87	  134.02
-    127.2000	  187.00	  176.92	 -890.90	  134.02
-    127.2500	  176.00	  176.94	 -901.93	  134.02
-    127.3000	  191.00	  176.97	 -886.96	  134.02
-    127.3500	  194.00	  177.01	 -883.99	  134.02
-    127.4000	  177.00	  177.04	 -901.03	  134.02
-    127.4500	  177.00	  177.08	 -901.07	  134.02
-    127.5000	  180.00	  177.13	 -898.11	  134.02
-    127.5500	  158.00	  177.18	 -920.16	  134.02
-    127.6000	  193.00	  177.23	 -885.22	  134.02
-    127.6500	  177.00	  177.29	 -901.28	  134.02
-    127.7000	  185.00	  177.36	 -893.35	  134.02
-    127.7500	  178.00	  177.44	 -900.42	  134.02
-    127.8000	  184.00	  177.52	 -894.51	  134.02
-    127.8500	  188.00	  177.62	 -890.60	  134.01
-    127.9000	  182.00	  177.63	 -896.61	  134.01
-    127.9500	  190.00	  177.75	 -888.73	  134.01
-    128.0000	  191.00	  177.89	 -887.87	  134.01
-    128.0500	  165.00	  178.05	 -914.04	  134.01
-    128.1000	  174.00	  178.25	 -905.23	  134.01
-    128.1500	  158.00	  178.48	 -921.47	  134.01
-    128.2000	  197.00	  178.78	 -882.77	  134.01
-    128.2500	  183.00	  179.17	 -897.16	  134.01
-    128.3000	  196.00	  179.71	 -884.70	  134.01
-    128.3500	  166.00	  180.46	 -915.45	  134.01
-    128.4000	  218.00	  181.53	 -864.51	  134.01
-    128.4500	  206.00	  183.05	 -878.03	  134.01
-    128.5000	  184.00	  185.18	 -902.17	  134.01
-    128.5500	  176.00	  188.12	 -913.10	  134.01
-    128.6000	  198.00	  192.04	 -895.03	  134.00
-    128.6500	  215.00	  197.10	 -883.08	  134.00
-    128.7000	  179.00	  203.38	 -925.36	  134.00
-    128.7500	  192.00	  210.82	 -919.80	  134.00
-    128.8000	  201.00	  219.22	 -919.21	  134.00
-    128.8500	  221.00	  228.19	 -908.17	  134.00
-    128.9000	  227.00	  237.10	 -911.09	  134.00
-    128.9500	  229.00	  245.15	 -917.13	  134.00
-    129.0000	  254.00	  251.33	 -898.32	  134.00
-    129.0500	  256.00	  254.69	 -899.67	  134.00
-    129.1000	  272.00	  254.61	 -883.59	  134.00
-    129.1500	  239.00	  251.10	 -913.09	  134.00
-    129.2000	  228.00	  244.81	 -917.80	  134.00
-    129.2500	  255.00	  236.70	 -882.69	  134.00
-    129.3000	  213.00	  227.77	 -915.76	  134.00
-    129.3500	  203.00	  218.82	 -916.81	  134.00
-    129.4000	  228.00	  210.46	 -883.44	  133.99
-    129.4500	  220.00	  203.07	 -884.05	  133.99
-    129.5000	  185.00	  196.85	 -912.83	  133.99
-    129.5500	  192.00	  191.84	 -900.83	  133.99
-    129.6000	  187.00	  187.97	 -901.96	  133.99
-    129.6500	  182.00	  185.08	 -904.06	  133.99
-    129.7000	  209.00	  182.98	 -874.96	  133.99
-    129.7500	  173.00	  181.48	 -909.47	  133.99
-    129.8000	  202.00	  180.44	 -879.42	  133.99
-    129.8500	  178.00	  179.70	 -902.68	  133.99
-    129.9000	  189.00	  179.17	 -891.16	  133.99
-    129.9500	  177.00	  178.78	 -902.77	  133.99
-    130.0000	  177.00	  178.49	 -902.47	  133.99
-    130.0500	  190.00	  178.26	 -889.24	  133.99
-    130.1000	  178.00	  178.07	 -901.05	  133.99
-    130.1500	  177.00	  177.91	 -901.89	  133.98
-    130.2000	  164.00	  177.77	 -914.75	  133.98
-    130.2500	  185.00	  177.65	 -893.63	  133.98
-    130.3000	  153.00	  177.54	 -925.53	  133.98
-    130.3500	  174.00	  177.45	 -904.43	  133.98
-    130.4000	  197.00	  177.36	 -881.35	  133.98
-    130.4500	  192.00	  177.29	 -886.27	  133.98
-    130.5000	  174.00	  177.22	 -904.21	  133.98
-    130.5500	  177.00	  177.16	 -901.14	  133.98
-    130.6000	  172.00	  177.11	 -906.09	  133.98
-    130.6500	  173.00	  177.06	 -905.04	  133.98
-    130.7000	  178.00	  177.01	 -900.00	  133.98
-    130.7500	  180.00	  176.97	 -897.96	  133.98
-    130.8000	  203.00	  176.93	 -874.92	  133.98
-    130.8500	  192.00	  176.90	 -885.89	  133.98
-    130.9000	  184.00	  176.87	 -893.86	  133.98
-    130.9500	  197.00	  176.84	 -880.83	  133.97
-    131.0000	  169.00	  176.82	 -908.80	  133.97
-    131.0500	  187.00	  176.80	 -890.78	  133.97
-    131.1000	  175.00	  176.78	 -902.76	  133.97
-    131.1500	  177.00	  176.76	 -900.74	  133.97
-    131.2000	  199.00	  176.74	 -878.72	  133.97
-    131.2500	  180.00	  176.72	 -897.71	  133.97
-    131.3000	  203.00	  176.71	 -874.69	  133.97
-    131.3500	  175.00	  176.70	 -902.68	  133.97
-    131.4000	  183.00	  176.68	 -894.67	  133.97
-    131.4500	  192.00	  176.67	 -885.66	  133.97
-    131.5000	  174.00	  176.67	 -903.65	  133.97
-    131.5500	  180.00	  176.66	 -897.64	  133.97
-    131.6000	  179.00	  176.65	 -898.63	  133.97
-    131.6500	  191.00	  176.64	 -886.63	  133.97
-    131.7000	  182.00	  176.64	 -895.62	  133.96
-    131.7500	  174.00	  176.63	 -903.62	  133.96
-    131.8000	  191.00	  176.63	 -886.61	  133.96
-    131.8500	  195.00	  176.62	 -882.61	  133.96
-    131.9000	  171.00	  176.62	 -906.61	  133.96
-    131.9500	  198.00	  176.62	 -879.60	  133.96
-    132.0000	  193.00	  176.62	 -884.60	  133.96
-    132.0500	  175.00	  176.62	 -902.60	  133.96
-    132.1000	  207.00	  176.62	 -870.60	  133.96
-    132.1500	  189.00	  176.62	 -888.60	  133.96
-    132.2000	  174.00	  176.62	 -903.60	  133.96
-    132.2500	  196.00	  176.62	 -881.60	  133.96
-    132.3000	  175.00	  176.62	 -902.60	  133.96
-    132.3500	  196.00	  176.62	 -881.61	  133.96
-    132.4000	  183.00	  176.62	 -894.61	  133.96
-    132.4500	  198.00	  176.63	 -879.61	  133.96
-    132.5000	  196.00	  176.63	 -881.61	  133.95
-    132.5500	  169.00	  176.63	 -908.62	  133.95
-    132.6000	  189.00	  176.64	 -888.62	  133.95
-    132.6500	  171.00	  176.64	 -906.63	  133.95
-    132.7000	  193.00	  176.65	 -884.63	  133.95
-    132.7500	  170.00	  176.65	 -907.64	  133.95
-    132.8000	  175.00	  176.66	 -902.64	  133.95
-    132.8500	  166.00	  176.66	 -911.65	  133.95
-    132.9000	  188.00	  176.67	 -889.65	  133.95
-    132.9500	  186.00	  176.68	 -891.66	  133.95
-    133.0000	  165.00	  176.68	 -912.67	  133.95
-    133.0500	  201.00	  176.69	 -876.67	  133.95
-    133.1000	  182.00	  176.70	 -895.68	  133.95
-    133.1500	  151.00	  176.71	 -926.69	  133.95
-    133.2000	  156.00	  176.71	 -921.70	  133.95
-    133.2500	  187.00	  176.72	 -890.71	  133.94
-    133.3000	  153.00	  176.73	 -924.72	  133.94
-    133.3500	  193.00	  176.74	 -884.73	  133.94
-    133.4000	  200.00	  176.75	 -877.74	  133.94
-    133.4500	  165.00	  176.76	 -912.75	  133.94
-    133.5000	  172.00	  176.77	 -905.76	  133.94
-    133.5500	  162.00	  176.78	 -915.77	  133.94
-    133.6000	  165.00	  176.64	 -912.63	  133.94
-    133.6500	  218.00	  176.65	 -859.64	  133.94
-    133.7000	  197.00	  176.67	 -880.65	  133.94
-    133.7500	  206.00	  176.68	 -871.67	  133.94
-    133.8000	  186.00	  176.69	 -891.68	  133.94
-    133.8500	  162.00	  176.71	 -915.69	  133.94
-    133.9000	  176.00	  176.72	 -901.71	  133.94
-    133.9500	  174.00	  176.74	 -903.72	  133.94
-    134.0000	  196.00	  176.75	 -881.74	  133.94
-    134.0500	  174.00	  176.77	 -903.75	  133.93
-    134.1000	  177.00	  176.79	 -900.77	  133.93
-    134.1500	  183.00	  176.80	 -894.79	  133.93
-    134.2000	  184.00	  176.82	 -893.80	  133.93
-    134.2500	  185.00	  176.84	 -892.82	  133.93
-    134.3000	  200.00	  176.86	 -877.84	  133.93
-    134.3500	  175.00	  176.87	 -902.86	  133.93
-    134.4000	  190.00	  176.89	 -887.88	  133.93
-    134.4500	  195.00	  176.91	 -882.90	  133.93
-    134.5000	  192.00	  176.93	 -885.92	  133.93
-    134.5500	  171.00	  176.95	 -906.94	  133.93
-    134.6000	  194.00	  176.97	 -883.96	  133.93
-    134.6500	  190.00	  177.00	 -887.98	  133.93
-    134.7000	  165.00	  177.02	 -913.00	  133.93
-    134.7500	  192.00	  177.04	 -886.03	  133.93
-    134.8000	  160.00	  177.06	 -918.05	  133.92
-    134.8500	  192.00	  177.09	 -886.07	  133.92
-    134.9000	  181.00	  177.11	 -897.10	  133.92
-    134.9500	  208.00	  177.14	 -870.12	  133.92
-    135.0000	  179.00	  177.16	 -899.15	  133.92
-    135.0500	  172.00	  177.19	 -906.17	  133.92
-    135.1000	  183.00	  177.22	 -895.20	  133.92
-    135.1500	  187.00	  177.25	 -891.23	  133.92
-    135.2000	  185.00	  177.27	 -893.26	  133.92
-    135.2500	  182.00	  177.30	 -896.29	  133.92
-    135.3000	  184.00	  177.33	 -894.32	  133.92
-    135.3500	  163.00	  177.37	 -915.35	  133.92
-    135.4000	  201.00	  177.40	 -877.38	  133.92
-    135.4500	  189.00	  177.43	 -889.42	  133.92
-    135.5000	  204.00	  177.46	 -874.45	  133.92
-    135.5500	  178.00	  177.50	 -900.48	  133.92
-    135.6000	  178.00	  177.54	 -900.52	  133.91
-    135.6500	  193.00	  177.57	 -885.56	  133.91
-    135.7000	  215.00	  177.61	 -863.60	  133.91
-    135.7500	  203.00	  177.65	 -875.63	  133.91
-    135.8000	  216.00	  177.69	 -862.68	  133.91
-    135.8500	  165.00	  177.73	 -913.72	  133.91
-    135.9000	  196.00	  177.77	 -882.76	  133.91
-    135.9500	  178.00	  177.82	 -900.80	  133.91
-    136.0000	  170.00	  177.86	 -908.85	  133.91
-    136.0500	  173.00	  177.91	 -905.90	  133.91
-    136.1000	  188.00	  177.96	 -890.94	  133.91
-    136.1500	  176.00	  178.01	 -902.99	  133.91
-    136.2000	  186.00	  178.06	 -893.05	  133.91
-    136.2500	  189.00	  178.11	 -890.10	  133.91
-    136.3000	  166.00	  178.17	 -913.15	  133.91
-    136.3500	  177.00	  178.22	 -902.21	  133.90
-    136.4000	  169.00	  178.28	 -910.27	  133.90
-    136.4500	  171.00	  178.34	 -908.33	  133.90
-    136.5000	  194.00	  178.41	 -885.39	  133.90
-    136.5500	  187.00	  178.47	 -892.46	  133.90
-    136.6000	  162.00	  178.54	 -917.52	  133.90
-    136.6500	  160.00	  178.61	 -919.59	  133.90
-    136.7000	  183.00	  178.68	 -896.66	  133.90
-    136.7500	  150.00	  178.75	 -929.74	  133.90
-    136.8000	  180.00	  178.83	 -899.81	  133.90
-    136.8500	  194.00	  178.91	 -885.89	  133.90
-    136.9000	  185.00	  178.99	 -894.98	  133.90
-    136.9500	  158.00	  179.08	 -922.06	  133.90
-    137.0000	  193.00	  179.16	 -887.15	  133.90
-    137.0500	  165.00	  179.26	 -915.24	  133.90
-    137.1000	  178.00	  179.35	 -902.34	  133.90
-    137.1500	  183.00	  179.45	 -897.44	  133.89
-    137.2000	  180.00	  179.56	 -900.54	  133.89
-    137.2500	  176.00	  179.66	 -904.65	  133.89
-    137.3000	  183.00	  179.78	 -897.76	  133.89
-    137.3500	  189.00	  179.89	 -891.88	  133.89
-    137.4000	  180.00	  180.01	 -901.00	  133.89
-    137.4500	  160.00	  180.14	 -921.13	  133.89
-    137.5000	  202.00	  180.27	 -879.26	  133.89
-    137.5500	  201.00	  180.41	 -880.40	  133.89
-    137.6000	  173.00	  180.56	 -908.54	  133.89
-    137.6500	  176.00	  180.71	 -905.69	  133.89
-    137.7000	  195.00	  180.86	 -886.85	  133.89
-    137.7500	  197.00	  181.03	 -885.01	  133.89
-    137.8000	  186.00	  181.20	 -896.19	  133.89
-    137.8500	  183.00	  181.38	 -899.37	  133.89
-    137.9000	  175.00	  181.57	 -907.56	  133.88
-    137.9500	  178.00	  181.77	 -904.76	  133.88
-    138.0000	  190.00	  181.98	 -892.97	  133.88
-    138.0500	  174.00	  182.20	 -909.19	  133.88
-    138.1000	  163.00	  182.43	 -920.42	  133.88
-    138.1500	  190.00	  182.68	 -893.66	  133.88
-    138.2000	  169.00	  182.94	 -914.92	  133.88
-    138.2500	  198.00	  183.21	 -886.19	  133.88
-    138.3000	  199.00	  183.49	 -885.48	  133.88
-    138.3500	  184.00	  183.80	 -900.78	  133.88
-    138.4000	  216.00	  184.12	 -869.10	  133.88
-    138.4500	  183.00	  184.46	 -902.44	  133.88
-    138.5000	  200.00	  184.82	 -885.80	  133.88
-    138.5500	  186.00	  185.20	 -900.18	  133.88
-    138.6000	  177.00	  185.60	 -909.59	  133.88
-    138.6500	  186.00	  186.04	 -901.02	  133.88
-    138.7000	  193.00	  186.50	 -894.48	  133.87
-    138.7500	  200.00	  186.99	 -887.97	  133.87
-    138.8000	  180.00	  187.51	 -908.50	  133.87
-    138.8500	  178.00	  188.08	 -911.06	  133.87
-    138.9000	  198.00	  188.68	 -891.66	  133.87
-    138.9500	  236.00	  189.33	 -854.31	  133.87
-    139.0000	  203.00	  190.02	 -888.01	  133.87
-    139.0500	  207.00	  190.77	 -884.75	  133.87
-    139.1000	  190.00	  191.58	 -902.56	  133.87
-    139.1500	  171.00	  192.45	 -922.43	  133.87
-    139.2000	  203.00	  193.39	 -891.38	  133.87
-    139.2500	  203.00	  194.42	 -892.41	  133.87
-    139.3000	  198.00	  195.54	 -898.52	  133.87
-    139.3500	  200.00	  196.76	 -897.74	  133.87
-    139.4000	  187.00	  198.10	 -912.09	  133.87
-    139.4500	  214.00	  199.58	 -886.57	  133.86
-    139.5000	  198.00	  201.23	 -904.22	  133.86
-    139.5500	  220.00	  203.09	 -884.07	  133.86
-    139.6000	  196.00	  205.20	 -910.19	  133.86
-    139.6500	  239.00	  207.65	 -869.64	  133.86
-    139.7000	  212.00	  210.55	 -899.53	  133.86
-    139.7500	  219.00	  214.05	 -896.04	  133.86
-    139.8000	  248.00	  218.38	 -871.36	  133.86
-    139.8500	  220.00	  223.84	 -904.82	  133.86
-    139.9000	  241.00	  230.84	 -890.82	  133.86
-    139.9500	  245.00	  239.94	 -895.92	  133.86
-    140.0000	  269.00	  251.82	 -883.80	  133.86
-    140.0500	  294.00	  267.32	 -874.31	  133.86
-    140.1000	  323.00	  287.46	 -865.44	  133.86
-    140.1500	  302.00	  313.35	 -912.33	  133.86
-    140.2000	  312.00	  346.22	 -935.20	  133.86
-    140.2500	  371.00	  387.23	 -917.21	  133.85
-    140.3000	  420.00	  437.41	 -918.39	  133.85
-    140.3500	  516.00	  497.54	 -882.53	  133.85
-    140.4000	  596.00	  567.98	 -872.97	  133.85
-    140.4500	  644.00	  648.53	 -905.52	  133.85
-    140.5000	  711.00	  738.16	 -928.15	  133.85
-    140.5500	  833.00	  834.96	 -902.95	  133.85
-    140.6000	  895.00	  936.21	 -942.20	  133.85
-    140.6500	 1010.00	 1038.12	 -929.11	  133.85
-    140.7000	 1058.00	 1135.97	 -978.95	  133.85
-    140.7500	 1183.00	 1224.00	 -941.98	  133.85
-    140.8000	 1278.00	 1295.91	 -918.89	  133.85
-    140.8500	 1298.00	 1345.62	 -948.61	  133.85
-    140.9000	 1419.00	 1368.26	 -850.25	  133.85
-    140.9500	 1381.00	 1361.39	 -881.38	  133.85
-    141.0000	 1299.00	 1325.74	 -927.72	  133.84
-    141.0500	 1371.00	 1265.04	 -795.03	  133.84
-    141.1000	 1273.00	 1184.92	 -812.90	  133.84
-    141.1500	 1131.00	 1091.65	 -861.64	  133.84
-    141.2000	  992.00	  991.25	 -900.23	  133.84
-    141.2500	  918.00	  889.05	 -872.04	  133.84
-    141.3000	  832.00	  789.46	 -858.44	  133.84
-    141.3500	  655.00	  695.72	 -941.70	  133.84
-    141.4000	  629.00	  610.17	 -882.15	  133.84
-    141.4500	  522.00	  534.20	 -913.18	  133.84
-    141.5000	  472.00	  468.49	 -897.48	  133.84
-    141.5500	  409.00	  413.04	 -905.03	  133.84
-    141.6000	  371.00	  367.24	 -897.22	  133.84
-    141.6500	  325.00	  330.16	 -906.14	  133.84
-    141.7000	  306.00	  300.66	 -895.65	  133.84
-    141.7500	  270.00	  277.57	 -908.55	  133.84
-    141.8000	  238.00	  259.71	 -922.70	  133.83
-    141.8500	  231.00	  246.01	 -915.99	  133.83
-    141.9000	  232.00	  235.52	 -904.51	  133.83
-    141.9500	  223.00	  227.47	 -905.46	  133.83
-    142.0000	  221.00	  221.24	 -901.23	  133.83
-    142.0500	  244.00	  216.36	 -873.34	  133.83
-    142.1000	  228.00	  212.45	 -885.44	  133.83
-    142.1500	  212.00	  209.26	 -898.24	  133.83
-    142.2000	  226.00	  206.59	 -881.57	  133.83
-    142.2500	  197.00	  204.31	 -908.29	  133.83
-    142.3000	  204.00	  202.33	 -899.31	  133.83
-    142.3500	  189.00	  200.58	 -912.56	  133.83
-    142.4000	  201.00	  199.01	 -899.00	  133.83
-    142.4500	  226.00	  197.60	 -872.59	  133.83
-    142.5000	  210.00	  196.32	 -887.31	  133.83
-    142.5500	  213.00	  195.16	 -883.14	  133.82
-    142.6000	  202.00	  194.09	 -893.07	  133.82
-    142.6500	  206.00	  193.10	 -888.09	  133.82
-    142.7000	  189.00	  192.20	 -904.18	  133.82
-    142.7500	  213.00	  191.36	 -879.34	  133.82
-    142.8000	  193.00	  190.58	 -898.57	  133.82
-    142.8500	  206.00	  189.87	 -884.85	  133.82
-    142.9000	  204.00	  189.20	 -886.18	  133.82
-    142.9500	  188.00	  188.58	 -901.56	  133.82
-    143.0000	  221.00	  188.00	 -867.99	  133.82
-    143.0500	  203.00	  187.46	 -885.45	  133.82
-    143.1000	  192.00	  186.96	 -895.94	  133.82
-    143.1500	  197.00	  186.48	 -890.47	  133.82
-    143.2000	  187.00	  186.04	 -900.03	  133.82
-    143.2500	  206.00	  185.63	 -880.61	  133.82
-    143.3000	  197.00	  185.24	 -889.22	  133.82
-    143.3500	  182.00	  184.87	 -903.85	  133.81
-    143.4000	  186.00	  184.52	 -899.51	  133.81
-    143.4500	  228.00	  184.20	 -857.18	  133.81
-    143.5000	  201.00	  183.89	 -883.87	  133.81
-    143.5500	  176.00	  183.60	 -908.58	  133.81
-    143.6000	  193.00	  183.32	 -891.31	  133.81
-    143.6500	  200.00	  183.06	 -884.05	  133.81
-    143.7000	  189.00	  182.82	 -894.80	  133.81
-    143.7500	  198.00	  182.58	 -885.57	  133.81
-    143.8000	  188.00	  182.36	 -895.35	  133.81
-    143.8500	  169.00	  182.15	 -914.14	  133.81
-    143.9000	  183.00	  181.95	 -899.94	  133.81
-    143.9500	  198.00	  181.76	 -884.75	  133.81
-    144.0000	  156.00	  181.58	 -926.57	  133.81
-    144.0500	  172.00	  181.41	 -910.39	  133.81
-    144.1000	  190.00	  181.25	 -892.23	  133.80
-    144.1500	  166.00	  181.09	 -916.07	  133.80
-    144.2000	  163.00	  180.94	 -918.92	  133.80
-    144.2500	  184.00	  180.80	 -897.78	  133.80
-    144.3000	  182.00	  180.66	 -899.64	  133.80
-    144.3500	  173.00	  180.53	 -908.51	  133.80
-    144.4000	  182.00	  180.40	 -899.39	  133.80
-    144.4500	  183.00	  180.29	 -898.27	  133.80
-    144.5000	  186.00	  180.17	 -895.16	  133.80
-    144.5500	  195.00	  180.06	 -886.05	  133.80
-    144.6000	  204.00	  179.96	 -876.94	  133.80
-    144.6500	  179.00	  179.86	 -901.84	  133.80
-    144.7000	  192.00	  179.76	 -888.74	  133.80
-    144.7500	  213.00	  179.67	 -867.65	  133.80
-    144.8000	  187.00	  179.58	 -893.56	  133.80
-    144.8500	  194.00	  179.49	 -886.48	  133.80
-    144.9000	  185.00	  179.41	 -895.40	  133.79
-    144.9500	  183.00	  179.33	 -897.32	  133.79
-    145.0000	  192.00	  179.26	 -888.24	  133.79
-    145.0500	  201.00	  179.18	 -879.17	  133.79
-    145.1000	  211.00	  179.11	 -869.10	  133.79
-    145.1500	  163.00	  179.05	 -917.03	  133.79
-    145.2000	  202.00	  178.98	 -877.96	  133.79
-    145.2500	  197.00	  178.92	 -882.90	  133.79
-    145.3000	  183.00	  178.86	 -896.84	  133.79
-    145.3500	  177.00	  178.80	 -902.78	  133.79
-    145.4000	  188.00	  178.74	 -891.73	  133.79
-    145.4500	  158.00	  178.69	 -921.67	  133.79
-    145.5000	  184.00	  178.64	 -895.62	  133.79
-    145.5500	  162.00	  178.59	 -917.57	  133.79
-    145.6000	  169.00	  178.54	 -910.52	  133.79
-    145.6500	  171.00	  178.49	 -908.48	  133.78
-    145.7000	  188.00	  178.45	 -891.43	  133.78
-    145.7500	  167.00	  178.40	 -912.39	  133.78
-    145.8000	  182.00	  178.36	 -897.35	  133.78
-    145.8500	  197.00	  178.32	 -882.31	  133.78
-    145.9000	  179.00	  178.28	 -900.27	  133.78
-    145.9500	  172.00	  178.24	 -907.23	  133.78
-    146.0000	  163.00	  178.21	 -916.19	  133.78
-    146.0500	  172.00	  178.17	 -907.16	  133.78
-    146.1000	  178.00	  178.14	 -901.12	  133.78
-    146.1500	  179.00	  178.11	 -900.09	  133.78
-    146.2000	  171.00	  178.07	 -908.06	  133.78
-    146.2500	  189.00	  178.04	 -890.03	  133.78
-    146.3000	  190.00	  178.01	 -889.00	  133.78
-    146.3500	  185.00	  177.99	 -893.97	  133.78
-    146.4000	  169.00	  177.96	 -909.94	  133.78
-    146.4500	  165.00	  177.93	 -913.92	  133.77
-    146.5000	  185.00	  177.91	 -893.89	  133.77
-    146.5500	  158.00	  177.88	 -920.87	  133.77
-    146.6000	  190.00	  177.86	 -888.84	  133.77
-    146.6500	  165.00	  177.84	 -913.82	  133.77
-    146.7000	  173.00	  177.81	 -905.80	  133.77
-    146.7500	  206.00	  177.79	 -872.78	  133.77
-    146.8000	  170.00	  177.77	 -908.75	  133.77
-    146.8500	  193.00	  177.75	 -885.73	  133.77
-    146.9000	  167.00	  177.73	 -911.71	  133.77
-    146.9500	  182.00	  177.71	 -896.70	  133.77
-    147.0000	  191.00	  177.70	 -887.68	  133.77
-    147.0500	  175.00	  177.68	 -903.67	  133.77
-    147.1000	  184.00	  177.67	 -894.65	  133.77
-    147.1500	  163.00	  177.66	 -915.64	  133.77
-    147.2000	  174.00	  177.65	 -904.63	  133.76
-    147.2500	  176.00	  177.64	 -902.62	  133.76
-    147.3000	  163.00	  177.63	 -915.61	  133.76
-    147.3500	  174.00	  177.62	 -904.61	  133.76
-    147.4000	  155.00	  177.62	 -923.60	  133.76
-    147.4500	  153.00	  177.62	 -925.60	  133.76
-    147.5000	  190.00	  177.62	 -888.60	  133.76
-    147.5500	  190.00	  177.62	 -888.60	  133.76
-    147.6000	  169.00	  177.62	 -909.60	  133.76
-    147.6500	  189.00	  177.62	 -889.61	  133.76
-    147.7000	  177.00	  177.63	 -901.61	  133.76
-    147.7500	  167.00	  177.63	 -911.62	  133.76
-    147.8000	  163.00	  177.64	 -915.62	  133.76
-    147.8500	  196.00	  177.64	 -882.62	  133.76
-    147.9000	  175.00	  177.64	 -903.63	  133.76
-    147.9500	  146.00	  177.64	 -932.63	  133.76
-    148.0000	  170.00	  177.64	 -908.63	  133.75
-    148.0500	  179.00	  177.64	 -899.62	  133.75
-    148.1000	  182.00	  177.63	 -896.62	  133.75
-    148.1500	  175.00	  177.62	 -903.61	  133.75
-    148.2000	  171.00	  177.61	 -907.60	  133.75
-    148.2500	  201.00	  177.60	 -877.58	  133.75
-    148.3000	  181.00	  177.58	 -897.57	  133.75
-    148.3500	  152.00	  177.56	 -926.55	  133.75
-    148.4000	  194.00	  177.54	 -884.53	  133.75
-    148.4500	  160.00	  177.53	 -918.51	  133.75
-    148.5000	  179.00	  177.51	 -899.49	  133.75
-    148.5500	  181.00	  177.49	 -897.47	  133.75
-    148.6000	  175.00	  177.47	 -903.46	  133.75
-    148.6500	  178.00	  177.46	 -900.44	  133.75
-    148.7000	  186.00	  177.44	 -892.43	  133.75
-    148.7500	  195.00	  177.43	 -883.41	  133.74
-    148.8000	  166.00	  177.42	 -912.40	  133.74
-    148.8500	  184.00	  177.41	 -894.39	  133.74
-    148.9000	  215.00	  177.40	 -863.38	  133.74
-    148.9500	  183.00	  177.39	 -895.38	  133.74
-    149.0000	  184.00	  177.39	 -894.37	  133.74
-    149.0500	  174.00	  177.38	 -904.37	  133.74
-    149.1000	  175.00	  177.38	 -903.36	  133.74
-    149.1500	  171.00	  177.37	 -907.36	  133.74
-    149.2000	  166.00	  177.37	 -912.36	  133.74
-    149.2500	  188.00	  177.37	 -890.36	  133.74
-    149.3000	  165.00	  177.37	 -913.36	  133.74
-    149.3500	  184.00	  177.37	 -894.36	  133.74
-    149.4000	  181.00	  177.37	 -897.36	  133.74
-    149.4500	  174.00	  177.37	 -904.36	  133.74
-    149.5000	  178.00	  177.38	 -900.36	  133.74
-    149.5500	  191.00	  177.38	 -887.36	  133.73
-    149.6000	  181.00	  177.38	 -897.36	  133.73
-    149.6500	  174.00	  177.38	 -904.37	  133.73
-    149.7000	  180.00	  177.39	 -898.37	  133.73
-    149.7500	  177.00	  177.39	 -901.37	  133.73
-    149.8000	  164.00	  177.39	 -914.38	  133.73
-    149.8500	  203.00	  177.40	 -875.38	  133.73
-    149.9000	  178.00	  177.40	 -900.39	  133.73
-    149.9500	  162.00	  177.41	 -916.39	  133.73
-    150.0000	  192.00	  177.41	 -886.40	  133.73
-    150.0500	  164.00	  177.42	 -914.40	  133.73
-    150.1000	  151.00	  177.42	 -927.41	  133.73
-    150.1500	  170.00	  177.43	 -908.42	  133.73
-    150.2000	  166.00	  177.44	 -912.42	  133.73
-    150.2500	  194.00	  177.44	 -884.43	  133.73
-    150.3000	  168.00	  177.45	 -910.44	  133.72
-    150.3500	  173.00	  177.46	 -905.44	  133.72
-    150.4000	  175.00	  177.47	 -903.45	  133.72
-    150.4500	  193.00	  177.47	 -885.46	  133.72
-    150.5000	  177.00	  177.48	 -901.47	  133.72
-    150.5500	  185.00	  177.49	 -893.48	  133.72
-    150.6000	  178.00	  177.50	 -900.49	  133.72
-    150.6500	  178.00	  177.51	 -900.50	  133.72
-    150.7000	  179.00	  177.52	 -899.51	  133.72
-    150.7500	  180.00	  177.53	 -898.52	  133.72
-    150.8000	  169.00	  177.54	 -909.53	  133.72
-    150.8500	  177.00	  177.55	 -901.54	  133.72
-    150.9000	  159.00	  177.56	 -919.55	  133.72
-    150.9500	  167.00	  177.58	 -911.56	  133.72
-    151.0000	  180.00	  177.59	 -898.57	  133.72
-    151.0500	  158.00	  177.60	 -920.59	  133.72
-    151.1000	  173.00	  177.61	 -905.60	  133.71
-    151.1500	  172.00	  177.63	 -906.61	  133.71
-    151.2000	  163.00	  177.64	 -915.63	  133.71
-    151.2500	  168.00	  177.66	 -910.64	  133.71
-    151.3000	  166.00	  177.67	 -912.65	  133.71
-    151.3500	  179.00	  177.69	 -899.67	  133.71
-    151.4000	  159.00	  177.70	 -919.69	  133.71
-    151.4500	  173.00	  177.72	 -905.70	  133.71
-    151.5000	  170.00	  177.73	 -908.72	  133.71
-    151.5500	  151.00	  177.75	 -927.74	  133.71
-    151.6000	  174.00	  177.77	 -904.75	  133.71
-    151.6500	  182.00	  177.79	 -896.77	  133.71
-    151.7000	  182.00	  177.80	 -896.79	  133.71
-    151.7500	  172.00	  177.82	 -906.81	  133.71
-    151.8000	  157.00	  177.84	 -921.83	  133.71
-    151.8500	  156.00	  177.86	 -922.85	  133.70
-    151.9000	  168.00	  177.88	 -910.87	  133.70
-    151.9500	  194.00	  177.91	 -884.89	  133.70
-    152.0000	  177.00	  177.93	 -901.91	  133.70
-    152.0500	  170.00	  177.95	 -908.94	  133.70
-    152.1000	  169.00	  177.97	 -909.96	  133.70
-    152.1500	  173.00	  178.00	 -905.98	  133.70
-    152.2000	  161.00	  178.02	 -918.01	  133.70
-    152.2500	  169.00	  178.05	 -910.03	  133.70
-    152.3000	  167.00	  178.08	 -912.06	  133.70
-    152.3500	  194.00	  178.10	 -885.09	  133.70
-    152.4000	  150.00	  178.13	 -929.12	  133.70
-    152.4500	  159.00	  178.16	 -920.14	  133.70
-    152.5000	  181.00	  178.19	 -898.17	  133.70
-    152.5500	  180.00	  178.22	 -899.20	  133.70
-    152.6000	  193.00	  178.25	 -886.24	  133.70
-    152.6500	  192.00	  178.28	 -887.27	  133.69
-    152.7000	  152.00	  178.32	 -927.30	  133.69
-    152.7500	  159.00	  178.35	 -920.34	  133.69
-    152.8000	  147.00	  178.39	 -932.37	  133.69
-    152.8500	  190.00	  178.43	 -889.41	  133.69
-    152.9000	  167.00	  178.46	 -912.45	  133.69
-    152.9500	  193.00	  178.50	 -886.49	  133.69
-    153.0000	  159.00	  178.54	 -920.53	  133.69
-    153.0500	  195.00	  178.59	 -884.57	  133.69
-    153.1000	  172.00	  178.63	 -907.61	  133.69
-    153.1500	  148.00	  178.67	 -931.66	  133.69
-    153.2000	  174.00	  178.72	 -905.70	  133.69
-    153.2500	  194.00	  178.77	 -885.75	  133.69
-    153.3000	  159.00	  178.82	 -920.80	  133.69
-    153.3500	  190.00	  178.87	 -889.85	  133.69
-    153.4000	  181.00	  178.92	 -898.91	  133.68
-    153.4500	  159.00	  178.98	 -920.96	  133.68
-    153.5000	  168.00	  179.04	 -912.02	  133.68
-    153.5500	  175.00	  179.09	 -905.08	  133.68
-    153.6000	  184.00	  179.16	 -896.14	  133.68
-    153.6500	  200.00	  179.22	 -880.21	  133.68
-    153.7000	  161.00	  179.29	 -919.27	  133.68
-    153.7500	  162.00	  179.36	 -918.34	  133.68
-    153.8000	  152.00	  179.43	 -928.41	  133.68
-    153.8500	  177.00	  179.50	 -903.49	  133.68
-    153.9000	  173.00	  179.58	 -907.57	  133.68
-    153.9500	  184.00	  179.66	 -896.65	  133.68
-    154.0000	  169.00	  179.75	 -911.73	  133.68
-    154.0500	  163.00	  179.84	 -917.82	  133.68
-    154.1000	  177.00	  179.93	 -903.91	  133.68
-    154.1500	  171.00	  180.03	 -910.01	  133.68
-    154.2000	  180.00	  180.13	 -901.11	  133.67
-    154.2500	  201.00	  180.23	 -880.22	  133.67
-    154.3000	  206.00	  180.35	 -875.33	  133.67
-    154.3500	  181.00	  180.46	 -900.45	  133.67
-    154.4000	  170.00	  180.59	 -911.57	  133.67
-    154.4500	  177.00	  180.72	 -904.70	  133.67
-    154.5000	  196.00	  180.86	 -885.84	  133.67
-    154.5500	  201.00	  181.00	 -880.99	  133.67
-    154.6000	  161.00	  181.16	 -921.15	  133.67
-    154.6500	  179.00	  181.33	 -903.31	  133.67
-    154.7000	  185.00	  181.51	 -897.50	  133.67
-    154.7500	  167.00	  181.71	 -915.69	  133.67
-    154.8000	  162.00	  181.92	 -920.91	  133.67
-    154.8500	  178.00	  182.16	 -905.14	  133.67
-    154.9000	  203.00	  182.42	 -880.40	  133.67
-    154.9500	  193.00	  182.71	 -890.69	  133.66
-    155.0000	  164.00	  183.03	 -920.02	  133.66
-    155.0500	  191.00	  183.40	 -893.38	  133.66
-    155.1000	  173.00	  183.81	 -911.80	  133.66
-    155.1500	  165.00	  184.29	 -920.27	  133.66
-    155.2000	  178.00	  184.84	 -907.82	  133.66
-    155.2500	  196.00	  185.47	 -890.45	  133.66
-    155.3000	  188.00	  186.20	 -899.19	  133.66
-    155.3500	  183.00	  187.05	 -905.04	  133.66
-    155.4000	  188.00	  188.04	 -901.02	  133.66
-    155.4500	  166.00	  189.19	 -924.17	  133.66
-    155.5000	  189.00	  190.52	 -902.51	  133.66
-    155.5500	  175.00	  192.06	 -918.05	  133.66
-    155.6000	  173.00	  193.85	 -921.83	  133.66
-    155.6500	  201.00	  195.90	 -895.89	  133.66
-    155.7000	  177.00	  198.26	 -922.24	  133.66
-    155.7500	  202.00	  200.95	 -899.94	  133.65
-    155.8000	  169.00	  204.01	 -935.99	  133.65
-    155.8500	  198.00	  207.46	 -910.45	  133.65
-    155.9000	  191.00	  211.34	 -921.33	  133.65
-    155.9500	  207.00	  215.68	 -909.66	  133.65
-    156.0000	  226.00	  220.48	 -895.47	  133.65
-    156.0500	  184.00	  225.77	 -942.75	  133.65
-    156.1000	  218.00	  231.55	 -914.54	  133.65
-    156.1500	  215.00	  237.82	 -923.81	  133.65
-    156.2000	  239.00	  244.58	 -906.56	  133.65
-    156.2500	  292.00	  251.79	 -860.78	  133.65
-    156.3000	  251.00	  259.42	 -909.41	  133.65
-    156.3500	  255.00	  267.44	 -913.42	  133.65
-    156.4000	  244.00	  275.76	 -932.75	  133.65
-    156.4500	  259.00	  284.33	 -926.32	  133.65
-    156.5000	  260.00	  293.05	 -934.04	  133.64
-    156.5500	  294.00	  301.82	 -908.81	  133.64
-    156.6000	  303.00	  310.53	 -908.51	  133.64
-    156.6500	  282.00	  319.03	 -938.01	  133.64
-    156.7000	  312.00	  327.19	 -916.17	  133.64
-    156.7500	  317.00	  334.85	 -918.84	  133.64
-    156.8000	  342.00	  341.85	 -900.84	  133.64
-    156.8500	  338.00	  348.04	 -911.02	  133.64
-    156.9000	  351.00	  353.24	 -903.23	  133.64
-    156.9500	  359.00	  357.32	 -899.30	  133.64
-    157.0000	  394.00	  360.15	 -867.13	  133.64
-    157.0500	  316.00	  361.64	 -946.62	  133.64
-    157.1000	  379.00	  361.74	 -883.72	  133.64
-    157.1500	  359.00	  360.45	 -902.44	  133.64
-    157.2000	  404.00	  357.82	 -854.80	  133.64
-    157.2500	  381.00	  353.92	 -873.91	  133.64
-    157.3000	  359.00	  348.89	 -890.87	  133.63
-    157.3500	  364.00	  342.85	 -879.84	  133.63
-    157.4000	  347.00	  335.97	 -889.96	  133.63
-    157.4500	  328.00	  328.42	 -901.40	  133.63
-    157.5000	  344.00	  320.34	 -877.33	  133.63
-    157.5500	  320.00	  311.91	 -892.90	  133.63
-    157.6000	  333.00	  303.26	 -871.25	  133.63
-    157.6500	  319.00	  294.53	 -876.52	  133.63
-    157.7000	  289.00	  285.83	 -897.82	  133.63
-    157.7500	  284.00	  277.27	 -894.26	  133.63
-    157.8000	  283.00	  268.95	 -886.94	  133.63
-    157.8500	  305.00	  260.93	 -856.92	  133.63
-    157.9000	  281.00	  253.28	 -873.27	  133.63
-    157.9500	  244.00	  246.05	 -903.04	  133.63
-    158.0000	  253.00	  239.28	 -887.26	  133.63
-    158.0500	  245.00	  232.98	 -888.97	  133.62
-    158.1000	  210.00	  227.17	 -918.16	  133.62
-    158.1500	  201.00	  221.86	 -921.85	  133.62
-    158.2000	  226.00	  217.03	 -892.02	  133.62
-    158.2500	  206.00	  212.68	 -907.67	  133.62
-    158.3000	  218.00	  208.79	 -891.77	  133.62
-    158.3500	  201.00	  205.32	 -905.30	  133.62
-    158.4000	  226.00	  202.25	 -877.23	  133.62
-    158.4500	  201.00	  199.55	 -899.53	  133.62
-    158.5000	  210.00	  197.19	 -888.17	  133.62
-    158.5500	  207.00	  195.14	 -889.12	  133.62
-    158.6000	  176.00	  193.36	 -918.34	  133.62
-    158.6500	  172.00	  191.82	 -920.81	  133.62
-    158.7000	  173.00	  190.50	 -918.49	  133.62
-    158.7500	  195.00	  189.37	 -895.36	  133.62
-    158.8000	  168.00	  188.40	 -921.39	  133.62
-    158.8500	  177.00	  187.58	 -911.56	  133.61
-    158.9000	  186.00	  186.87	 -901.85	  133.61
-    158.9500	  170.00	  186.26	 -917.25	  133.61
-    159.0000	  190.00	  185.74	 -896.73	  133.61
-    159.0500	  175.00	  185.30	 -911.28	  133.61
-    159.1000	  191.00	  184.91	 -894.90	  133.61
-    159.1500	  164.00	  184.58	 -921.56	  133.61
-    159.2000	  189.00	  184.29	 -896.27	  133.61
-    159.2500	  176.00	  184.04	 -909.02	  133.61
-    159.3000	  175.00	  183.81	 -909.80	  133.61
-    159.3500	  162.00	  183.61	 -922.60	  133.61
-    159.4000	  184.00	  183.44	 -900.42	  133.61
-    159.4500	  163.00	  183.28	 -921.26	  133.61
-    159.5000	  179.00	  183.13	 -905.12	  133.61
-    159.5500	  194.00	  183.01	 -889.99	  133.61
-    159.6000	  165.00	  182.89	 -918.87	  133.60
-    159.6500	  180.00	  182.78	 -903.76	  133.60
-    159.7000	  174.00	  182.68	 -909.67	  133.60
-    159.7500	  180.00	  182.59	 -903.58	  133.60
-    159.8000	  179.00	  182.51	 -904.49	  133.60
-    159.8500	  189.00	  182.43	 -894.42	  133.60
-    159.9000	  185.00	  182.36	 -898.35	  133.60
-    159.9500	  151.00	  182.30	 -932.28	  133.60
-    160.0000	  176.00	  182.24	 -907.22	  133.60
-    160.0500	  165.00	  182.18	 -918.17	  133.60
-    160.1000	  163.00	  182.13	 -920.12	  133.60
-    160.1500	  184.00	  182.09	 -899.07	  133.60
-    160.2000	  157.00	  182.05	 -926.03	  133.60
-    160.2500	  166.00	  182.01	 -916.99	  133.60
-    160.3000	  160.00	  181.97	 -922.96	  133.60
-    160.3500	  183.00	  181.94	 -899.93	  133.60
-    160.4000	  167.00	  181.92	 -915.90	  133.59
-    160.4500	  180.00	  181.89	 -902.88	  133.59
-    160.5000	  183.00	  181.87	 -899.86	  133.59
-    160.5500	  163.00	  181.85	 -919.84	  133.59
-    160.6000	  178.00	  181.84	 -904.82	  133.59
-    160.6500	  179.00	  181.83	 -903.81	  133.59
-    160.7000	  161.00	  181.82	 -921.80	  133.59
-    160.7500	  168.00	  181.81	 -914.79	  133.59
-    160.8000	  173.00	  181.80	 -909.79	  133.59
-    160.8500	  202.00	  181.80	 -880.78	  133.59
-    160.9000	  145.00	  181.80	 -937.78	  133.59
-    160.9500	  162.00	  181.80	 -920.78	  133.59
-    161.0000	  180.00	  181.80	 -902.79	  133.59
-    161.0500	  186.00	  181.81	 -896.79	  133.59
-    161.1000	  166.00	  181.81	 -916.80	  133.59
-    161.1500	  177.00	  181.82	 -905.81	  133.58
-    161.2000	  194.00	  181.83	 -888.82	  133.58
-    161.2500	  177.00	  181.85	 -905.83	  133.58
-    161.3000	  178.00	  181.86	 -904.85	  133.58
-    161.3500	  190.00	  181.88	 -892.86	  133.58
-    161.4000	  160.00	  181.90	 -922.88	  133.58
-    161.4500	  173.00	  181.91	 -909.90	  133.58
-    161.5000	  191.00	  181.94	 -891.92	  133.58
-    161.5500	  161.00	  181.96	 -921.94	  133.58
-    161.6000	  181.00	  181.98	 -901.97	  133.58
-    161.6500	  152.00	  182.01	 -930.99	  133.58
-    161.7000	  195.00	  182.03	 -888.02	  133.58
-    161.7500	  171.00	  182.06	 -912.05	  133.58
-    161.8000	  188.00	  182.09	 -895.08	  133.58
-    161.8500	  164.00	  182.12	 -919.11	  133.58
-    161.9000	  185.00	  182.16	 -898.14	  133.58
-    161.9500	  173.00	  182.19	 -910.18	  133.57
-    162.0000	  162.00	  182.23	 -921.21	  133.57
-    162.0500	  166.00	  182.26	 -917.25	  133.57
-    162.1000	  201.00	  182.30	 -882.29	  133.57
-    162.1500	  173.00	  182.34	 -910.33	  133.57
-    162.2000	  172.00	  182.38	 -911.37	  133.57
-    162.2500	  181.00	  182.43	 -902.41	  133.57
-    162.3000	  159.00	  182.47	 -924.45	  133.57
-    162.3500	  185.00	  182.51	 -898.50	  133.57
-    162.4000	  170.00	  182.56	 -913.55	  133.57
-    162.4500	  200.00	  182.61	 -883.59	  133.57
-    162.5000	  196.00	  182.66	 -887.64	  133.57
-    162.5500	  176.00	  182.71	 -907.69	  133.57
-    162.6000	  197.00	  182.76	 -886.74	  133.57
-    162.6500	  176.00	  182.81	 -907.80	  133.57
-    162.7000	  181.00	  182.87	 -902.85	  133.56
-    162.7500	  176.00	  182.92	 -907.91	  133.56
-    162.8000	  184.00	  182.98	 -899.96	  133.56
-    162.8500	  179.00	  183.04	 -905.02	  133.56
-    162.9000	  165.00	  183.10	 -919.08	  133.56
-    162.9500	  146.00	  183.16	 -938.14	  133.56
-    163.0000	  165.00	  183.22	 -919.21	  133.56
-    163.0500	  151.00	  183.29	 -933.27	  133.56
-    163.1000	  164.00	  183.35	 -920.34	  133.56
-    163.1500	  179.00	  183.42	 -905.40	  133.56
-    163.2000	  186.00	  183.49	 -898.47	  133.56
-    163.2500	  182.00	  183.56	 -902.54	  133.56
-    163.3000	  168.00	  183.63	 -916.61	  133.56
-    163.3500	  193.00	  183.70	 -891.69	  133.56
-    163.4000	  177.00	  183.78	 -907.76	  133.56
-    163.4500	  180.00	  183.85	 -904.84	  133.55
-    163.5000	  171.00	  183.93	 -913.91	  133.55
-    163.5500	  207.00	  184.01	 -877.99	  133.55
-    163.6000	  180.00	  184.09	 -905.08	  133.55
-    163.6500	  159.00	  184.17	 -926.16	  133.55
-    163.7000	  165.00	  184.26	 -920.24	  133.55
-    163.7500	  178.00	  184.34	 -907.33	  133.55
-    163.8000	  150.00	  184.43	 -935.42	  133.55
-    163.8500	  177.00	  184.52	 -908.51	  133.55
-    163.9000	  174.00	  184.61	 -911.60	  133.55
-    163.9500	  180.00	  184.71	 -905.69	  133.55
-    164.0000	  184.00	  184.80	 -901.79	  133.55
-    164.0500	  166.00	  184.90	 -919.89	  133.55
-    164.1000	  182.00	  185.00	 -903.99	  133.55
-    164.1500	  188.00	  185.10	 -898.09	  133.55
-    164.2000	  186.00	  185.21	 -900.19	  133.55
-    164.2500	  152.00	  185.31	 -934.30	  133.54
-    164.3000	  200.00	  185.42	 -886.41	  133.54
-    164.3500	  177.00	  185.53	 -909.52	  133.54
-    164.4000	  202.00	  185.65	 -884.63	  133.54
-    164.4500	  178.00	  185.76	 -908.75	  133.54
-    164.5000	  153.00	  185.88	 -933.87	  133.54
-    164.5500	  197.00	  186.01	 -889.99	  133.54
-    164.6000	  153.00	  186.13	 -934.12	  133.54
-    164.6500	  173.00	  186.16	 -914.15	  133.54
-    164.7000	  187.00	  186.29	 -900.28	  133.54
-    164.7500	  175.00	  186.43	 -912.41	  133.54
-    164.8000	  168.00	  186.57	 -919.55	  133.54
-    164.8500	  109.00	  174.56	 -966.55	  133.54
+IGOR
+WAVES     TwoTheta,       Iobs,   Icalc,  Diff
+BEGIN
+      10.300      190.00      168.93       21.07
+      10.350      182.00      168.91       13.09
+      10.400      166.00      168.90       -2.90
+      10.450      203.00      168.89       34.11
+      10.500      156.00      168.88      -12.88
+      10.550      190.00      168.87       21.13
+      10.600      175.00      168.85        6.15
+      10.650      161.00      168.84       -7.84
+      10.700      187.00      168.83       18.17
+      10.750      166.00      168.82       -2.82
+      10.800      171.00      168.80        2.20
+      10.850      177.00      168.79        8.21
+      10.900      159.00      168.78       -9.78
+      10.950      184.00      168.77       15.23
+      11.000      160.00      168.76       -8.76
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+     156.900      351.00      353.29       -2.29
+     156.950      359.00      357.37        1.63
+     157.000      394.00      360.20       33.80
+     157.050      316.00      361.70      -45.70
+     157.100      379.00      361.80       17.20
+     157.150      359.00      360.52       -1.52
+     157.200      404.00      357.88       46.12
+     157.250      381.00      353.99       27.01
+     157.300      359.00      348.95       10.05
+     157.350      364.00      342.91       21.09
+     157.400      347.00      336.03       10.97
+     157.450      328.00      328.48       -0.48
+     157.500      344.00      320.40       23.60
+     157.550      320.00      311.97        8.03
+     157.600      333.00      303.31       29.69
+     157.650      319.00      294.58       24.42
+     157.700      289.00      285.88        3.12
+     157.750      284.00      277.32        6.68
+     157.800      283.00      268.99       14.01
+     157.850      305.00      260.97       44.03
+     157.900      281.00      253.32       27.68
+     157.950      244.00      246.09       -2.09
+     158.000      253.00      239.31       13.69
+     158.050      245.00      233.01       11.99
+     158.100      210.00      227.20      -17.20
+     158.150      201.00      221.89      -20.89
+     158.200      226.00      217.06        8.94
+     158.250      206.00      212.71       -6.71
+     158.300      218.00      208.81        9.19
+     158.350      201.00      205.34       -4.34
+     158.400      226.00      202.27       23.73
+     158.450      201.00      199.57        1.43
+     158.500      210.00      197.21       12.79
+     158.550      207.00      195.15       11.85
+     158.600      176.00      193.37      -17.37
+     158.650      172.00      191.84      -19.84
+     158.700      173.00      190.52      -17.52
+     158.750      195.00      189.39        5.61
+     158.800      168.00      188.42      -20.42
+     158.850      177.00      187.59      -10.59
+     158.900      186.00      186.88       -0.88
+     158.950      170.00      186.28      -16.28
+     159.000      190.00      185.76        4.24
+     159.050      175.00      185.31      -10.31
+     159.100      191.00      184.93        6.07
+     159.150      164.00      184.59      -20.59
+     159.200      189.00      184.30        4.70
+     159.250      176.00      184.05       -8.05
+     159.300      175.00      183.83       -8.83
+     159.350      162.00      183.63      -21.63
+     159.400      184.00      183.45        0.55
+     159.450      163.00      183.29      -20.29
+     159.500      179.00      183.15       -4.15
+     159.550      194.00      183.02       10.98
+     159.600      165.00      182.90      -17.90
+     159.650      180.00      182.80       -2.80
+     159.700      174.00      182.70       -8.70
+     159.750      180.00      182.61       -2.61
+     159.800      179.00      182.52       -3.52
+     159.850      189.00      182.45        6.55
+     159.900      185.00      182.38        2.62
+     159.950      151.00      182.31      -31.31
+     160.000      176.00      182.25       -6.25
+     160.050      165.00      182.20      -17.20
+     160.100      163.00      182.15      -19.15
+     160.150      184.00      182.10        1.90
+     160.200      157.00      182.06      -25.06
+     160.250      166.00      182.03      -16.03
+     160.300      160.00      181.99      -21.99
+     160.350      183.00      181.96        1.04
+     160.400      167.00      181.93      -14.93
+     160.450      180.00      181.91       -1.91
+     160.500      183.00      181.89        1.11
+     160.550      163.00      181.87      -18.87
+     160.600      178.00      181.86       -3.86
+     160.650      179.00      181.84       -2.84
+     160.700      161.00      181.83      -20.83
+     160.750      168.00      181.83      -13.83
+     160.800      173.00      181.82       -8.82
+     160.850      202.00      181.82       20.18
+     160.900      145.00      181.82      -36.82
+     160.950      162.00      181.82      -19.82
+     161.000      180.00      181.82       -1.82
+     161.050      186.00      181.83        4.17
+     161.100      166.00      181.83      -15.83
+     161.150      177.00      181.84       -4.84
+     161.200      194.00      181.85       12.15
+     161.250      177.00      181.87       -4.87
+     161.300      178.00      181.88       -3.88
+     161.350      190.00      181.90        8.10
+     161.400      160.00      181.92      -21.92
+     161.450      173.00      181.94       -8.94
+     161.500      191.00      181.96        9.04
+     161.550      161.00      181.98      -20.98
+     161.600      181.00      182.00       -1.00
+     161.650      152.00      182.03      -30.03
+     161.700      195.00      182.06       12.94
+     161.750      171.00      182.08      -11.08
+     161.800      188.00      182.11        5.89
+     161.850      164.00      182.15      -18.15
+     161.900      185.00      182.18        2.82
+     161.950      173.00      182.21       -9.21
+     162.000      162.00      182.25      -20.25
+     162.050      166.00      182.29      -16.29
+     162.100      201.00      182.33       18.67
+     162.150      173.00      182.36       -9.36
+     162.200      172.00      182.41      -10.41
+     162.250      181.00      182.45       -1.45
+     162.300      159.00      182.49      -23.49
+     162.350      185.00      182.54        2.46
+     162.400      170.00      182.58      -12.58
+     162.450      200.00      182.63       17.37
+     162.500      196.00      182.68       13.32
+     162.550      176.00      182.73       -6.73
+     162.600      197.00      182.78       14.22
+     162.650      176.00      182.84       -6.84
+     162.700      181.00      182.89       -1.89
+     162.750      176.00      182.95       -6.95
+     162.800      184.00      183.01        0.99
+     162.850      179.00      183.06       -4.06
+     162.900      165.00      183.12      -18.12
+     162.950      146.00      183.19      -37.19
+     163.000      165.00      183.25      -18.25
+     163.050      151.00      183.31      -32.31
+     163.100      164.00      183.38      -19.38
+     163.150      179.00      183.45       -4.45
+     163.200      186.00      183.51        2.49
+     163.250      182.00      183.58       -1.58
+     163.300      168.00      183.66      -15.66
+     163.350      193.00      183.73        9.27
+     163.400      177.00      183.80       -6.80
+     163.450      180.00      183.88       -3.88
+     163.500      171.00      183.96      -12.96
+     163.550      207.00      184.04       22.96
+     163.600      180.00      184.12       -4.12
+     163.650      159.00      184.20      -25.20
+     163.700      165.00      184.29      -19.29
+     163.750      178.00      184.37       -6.37
+     163.800      150.00      184.46      -34.46
+     163.850      177.00      184.55       -7.55
+     163.900      174.00      184.65      -10.65
+     163.950      180.00      184.74       -4.74
+     164.000      184.00      184.84       -0.84
+     164.050      166.00      184.93      -18.93
+     164.100      182.00      185.03       -3.03
+     164.150      188.00      185.14        2.86
+     164.200      186.00      185.24        0.76
+     164.250      152.00      185.35      -33.35
+     164.300      200.00      185.46       14.54
+     164.350      177.00      185.57       -8.57
+     164.400      202.00      185.68       16.32
+     164.450      178.00      185.80       -7.80
+     164.500      153.00      185.92      -32.92
+     164.550      197.00      186.04       10.96
+     164.600      153.00      186.17      -33.17
+     164.650      173.00      186.20      -13.20
+     164.700      187.00      186.33        0.67
+     164.750      175.00      186.47      -11.47
+     164.800      168.00      186.61      -18.61
+     164.850      109.00      174.56      -65.56
+END
+WAVES     Phase1, tik1
+BEGIN
+      22.758       -120
+      32.130       -120
+      39.466       -120
+      45.782       -120
+      51.468       -120
+      56.726       -120
+      66.401       -120
+      70.956       -120
+      70.956       -120
+      75.385       -120
+      79.722       -120
+      83.997       -120
+      88.235       -120
+      92.460       -120
+     100.964       -120
+     105.291       -120
+     105.291       -120
+     109.707       -120
+     109.707       -120
+     114.243       -120
+     118.943       -120
+     123.861       -120
+     129.074       -120
+     140.913       -120
+     148.083       -120
+     148.083       -120
+     157.078       -120
+     157.078       -120
+     172.711       -120
+     172.711       -120
+END
+WAVES Excrg1, excl1
+BEGIN
+       10.30       -120
+        5.00       -120
+END
+WAVES Excrg2, excl2
+BEGIN
+      165.00       -120
+      164.85       -120
+END
+X Silent 1
+X DefaultFont Times
+X Display Iobs, Icalc, Diff vs TwoTheta
+X Modify mode(Iobs)=2, rgb(Iobs)=(0,0,0), rgb(Diff)=(3800,44400,4000)
+X SetAxis bottom    10.30,   164.85
+X Modify lsize(Iobs)=2
+X Modify offset(Diff)={0,   -400}
+X Modify wbRGB=(48483,64909,65535), gbRGB=(64612,65535,49415)
+X Modify mirror(left)=2, mirror(bottom)=2
+X Modify gfSize=12
+X Append excl1 vs Excrg1
+X Modify mode(excl1)=7, hbFill(excl1)=4
+X Modify rgb(excl1)=(6421,62320,64794)
+X Append excl2 vs Excrg2
+X Modify mode(excl2)=7, hbFill(excl2)=4
+X Modify rgb(excl2)=(6421,62320,64794)
+X Append tik1 vs Phase1
+X Modify mode(tik1)=1
+X TextBox /F=2/S=3/A=RT "Files: lbco\rDate of fit: \Z09 09/06/2026/ 12:42:02.4\Z12\rLBCO\rChi2 =    1.29"
+X Label left "\Z14Intensity"
+X Label bottom "\Z142-Theta (in degrees)"
+X TileWindows/O=1/C
+X ShowInfo
+X | Title of data set:  La0.5Ba0.5CoO3
+X | Date of run: 09/06/2026 / 12:42:02.4
+X Beep
+X Beep
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.rpa b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.rpa
index a13733786..8bc436bc6 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.rpa
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.rpa
@@ -1277,3 +1277,339 @@ SOLV     7.67    7.67    7.67
 SCOR       1.4020
 SCOR1              2.97            2.97            2.97
 --------------------------------------------------------------------------------
+TITL  La0.5Ba0.5CoO3
+FILES => PCR-file : lbco
+FILES => DAT-files: lbco                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            
+DATE & TIME     Date: 09/06/2026  Time: 00:23:30.022                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       5       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0    -3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   10     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3   -3    10     0     0     1
+PHAS1 LBCO                          
+SPGR P m -3 m            
+NATM    4
+COND    0   0   0   0
+ATOM La       0.00000   0.00000   0.00000   0.57504   0.01042  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.02737   0.00000
+ATOM Ba       0.00000   0.00000   0.00000   0.57504   0.01042  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.02737   0.00000
+ATOM Co       0.50000   0.50000   0.50000   0.26017   0.02083  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.05554   0.00000
+ATOM O        0.00000   0.50000   0.50000   1.36660   0.06116  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.01587   0.00000
+CELL    3.89079   3.89079   3.89079  90.00000  90.00000  90.00000
+SIGM    0.00002   0.00002   0.00002   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    9.405740738   0.053803913
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0815   0.0031  -0.1153   0.0067   0.1211   0.0032
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0830   0.0019
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO    0.62042   0.00104
+RFAR   5.616      7.223      6.351      1.293    
+RFAC   21.19      16.12      14.18      1.293        3081
+DEVA   3795.      1.231      1.570      1.895    
+RFBR   5.613      7.222      6.341      1.297    
+RFBC   21.04      16.07      14.11      1.297        3051
+DEVB   3765.      1.233      1.581      1.894    
+BRAG1    4.156    4.377      58.900     100.000     244.138       1.000
+EXRP    4.825   1.164
+REFL    28   23.00   23.00   23.00
+REFP     1    6    3
+SOLV     7.67    7.67    7.67
+SCOR       1.4021
+SCOR1              2.97            2.97            2.97
+--------------------------------------------------------------------------------
+TITL  La0.5Ba0.5CoO3
+FILES => PCR-file : lbco
+FILES => DAT-files: lbco                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            
+DATE & TIME     Date: 09/06/2026  Time: 00:25:28.866                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       5       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0    -3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   10     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3   -3    10     0     0     1
+PHAS1 LBCO                          
+SPGR P m -3 m            
+NATM    4
+COND    0   0   0   0
+ATOM La       0.00000   0.00000   0.00000   0.57508   0.01042  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.02737   0.00000
+ATOM Ba       0.00000   0.00000   0.00000   0.57508   0.01042  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.02737   0.00000
+ATOM Co       0.50000   0.50000   0.50000   0.26020   0.02083  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.05554   0.00000
+ATOM O        0.00000   0.50000   0.50000   1.36661   0.06116  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.01587   0.00000
+CELL    3.89079   3.89079   3.89079  90.00000  90.00000  90.00000
+SIGM    0.00002   0.00002   0.00002   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    9.405814171   0.053804018
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0815   0.0031  -0.1153   0.0067   0.1211   0.0032
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0830   0.0019
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO    0.62041   0.00104
+RFAR   5.616      7.223      6.351      1.293    
+RFAC   21.19      16.12      14.18      1.293        3081
+DEVA   3795.      1.231      1.570      1.895    
+RFBR   5.613      7.222      6.341      1.297    
+RFBC   21.04      16.07      14.11      1.297        3051
+DEVB   3765.      1.233      1.581      1.894    
+BRAG1    4.156    4.377      58.900     100.000     244.138       1.000
+EXRP    4.775   1.176
+REFL    28   23.00   23.00   23.00
+REFP     1    6    3
+SOLV     7.67    7.67    7.67
+SCOR       1.4021
+SCOR1              2.97            2.97            2.97
+--------------------------------------------------------------------------------
+TITL  La0.5Ba0.5CoO3
+FILES => PCR-file : lbco
+FILES => DAT-files: lbco                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            
+DATE & TIME     Date: 09/06/2026  Time: 00:26:05.391                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       5       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0    -3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   10     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3   -3    10     0     0     1
+PHAS1 LBCO                          
+SPGR P m -3 m            
+NATM    4
+COND    0   0   0   0
+ATOM La       0.00000   0.00000   0.00000   0.57511   0.01042  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.02737   0.00000
+ATOM Ba       0.00000   0.00000   0.00000   0.57511   0.01042  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.02737   0.00000
+ATOM Co       0.50000   0.50000   0.50000   0.26023   0.02083  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.05554   0.00000
+ATOM O        0.00000   0.50000   0.50000   1.36662   0.06116  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.01587   0.00000
+CELL    3.89079   3.89079   3.89079  90.00000  90.00000  90.00000
+SIGM    0.00002   0.00002   0.00002   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    9.405870438   0.053804092
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0815   0.0031  -0.1153   0.0067   0.1211   0.0032
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0830   0.0019
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO    0.62040   0.00104
+RFAR   5.616      7.223      6.351      1.293    
+RFAC   21.19      16.12      14.18      1.293        3081
+DEVA   3795.      1.231      1.570      1.895    
+RFBR   5.613      7.222      6.341      1.297    
+RFBC   21.05      16.07      14.11      1.297        3051
+DEVB   3765.      1.233      1.581      1.894    
+BRAG1    4.156    4.377      58.900     100.000     244.138       1.000
+EXRP    4.822   1.165
+REFL    28   23.00   23.00   23.00
+REFP     1    6    3
+SOLV     7.67    7.67    7.67
+SCOR       1.4021
+SCOR1              2.97            2.97            2.97
+--------------------------------------------------------------------------------
+TITL  La0.5Ba0.5CoO3
+FILES => PCR-file : lbco
+FILES => DAT-files: lbco                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            
+DATE & TIME     Date: 09/06/2026  Time: 10:26:03.226                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       5       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   10     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2    10     0     0     1
+PHAS1 LBCO                          
+SPGR P m -3 m            
+NATM    4
+COND    0   0   0   0
+ATOM La       0.00000   0.00000   0.00000   0.57511   0.01042  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM Ba       0.00000   0.00000   0.00000   0.57511   0.01042  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM Co       0.50000   0.50000   0.50000   0.26023   0.02083  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O        0.00000   0.50000   0.50000   1.36662   0.06116  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+CELL    3.89079   3.89079   3.89079  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    9.405870438   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0815   0.0000  -0.1153   0.0000   0.1211   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0830   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO    0.62040   0.00000
+RFAR   5.616      7.223      6.362      1.289    
+RFAC   21.19      16.12      14.20      1.289        3091
+DEVA   3795.      1.227      1.570      1.888    
+RFBR   5.613      7.222      6.351      1.293    
+RFBC   21.05      16.07      14.13      1.293        3061
+DEVB   3765.      1.229      1.581      1.888    
+BRAG1    4.156    4.377      58.900     100.000     244.138       1.000
+--------------------------------------------------------------------------------
+TITL  La0.5Ba0.5CoO3
+FILES => PCR-file : lbco
+FILES => DAT-files: lbco                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            
+DATE & TIME     Date: 09/06/2026  Time: 12:34:09.480                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       5       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   10     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2    10     0     0     1
+PHAS1 LBCO                          
+SPGR P m -3 m            
+NATM    4
+COND    0   0   0   0
+ATOM La       0.00000   0.00000   0.00000   0.57511   0.01042  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM Ba       0.00000   0.00000   0.00000   0.57511   0.01042  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM Co       0.50000   0.50000   0.50000   0.26023   0.02083  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O        0.00000   0.50000   0.50000   1.36662   0.06116  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+CELL    3.89079   3.89079   3.89079  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    9.405870438   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0815   0.0000  -0.1153   0.0000   0.1211   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0830   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO    0.62040   0.00000
+RFAR   5.616      7.223      6.362      1.289    
+RFAC   21.19      16.12      14.20      1.289        3091
+DEVA   3795.      1.227      1.570      1.888    
+RFBR   5.613      7.222      6.351      1.293    
+RFBC   21.05      16.07      14.13      1.293        3061
+DEVB   3765.      1.229      1.581      1.888    
+BRAG1    4.156    4.377      58.900     100.000     244.138       1.000
+--------------------------------------------------------------------------------
+TITL  La0.5Ba0.5CoO3
+FILES => PCR-file : lbco
+FILES => DAT-files: lbco                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                            
+DATE & TIME     Date: 09/06/2026  Time: 12:42:02.352                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       5       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   10     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2    10     0     0     1
+PHAS1 LBCO                          
+SPGR P m -3 m            
+NATM    4
+COND    0   0   0   0
+ATOM La       0.00000   0.00000   0.00000   0.57511   0.01042  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM Ba       0.00000   0.00000   0.00000   0.57511   0.01042  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM Co       0.50000   0.50000   0.50000   0.26023   0.02083  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O        0.00000   0.50000   0.50000   1.36662   0.06116  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+CELL    3.89079   3.89079   3.89079  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    9.405870438   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0815   0.0000  -0.1153   0.0000   0.1211   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0830   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO    0.62040   0.00000
+RFAR   5.616      7.223      6.362      1.289    
+RFAC   21.19      16.12      14.20      1.289        3091
+DEVA   3795.      1.227      1.570      1.888    
+RFBR   5.613      7.222      6.351      1.293    
+RFBC   21.05      16.07      14.13      1.293        3061
+DEVB   3765.      1.229      1.581      1.888    
+BRAG1    4.156    4.377      58.900     100.000     244.138       1.000
+--------------------------------------------------------------------------------
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.sum b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.sum
index 2e240e0c4..0e647bce7 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.sum
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.sum
@@ -1,17 +1,17 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 07/06/2026  Time: 23:21:46.649                              
+    Date: 09/06/2026  Time: 12:42:02.352                              
 
  => PCR file code: lbco
- => DAT file code: lbco.dat             -> Relative contribution: 1.0000                                                            
+ => DAT file code: lbco                 -> Relative contribution: 1.0000                                                            
  => Title: La0.5Ba0.5CoO3
 
  ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
@@ -29,13 +29,13 @@
      2Thmin:      10.300000  2Thmax:     164.850006  Step:       0.050018  No. of points:   3092
  =>-------> Pattern#  1
  => Crystal Structure Refinement for phase: 1
- => The density (volumic mass) of phase 1 is:    6.878 g/cm3
- => Scor: 1.4020
+ => The density (volumic mass) of phase 1 is:    6.879 g/cm3
+ => Scor: 1.4021
 
  ==> RESULTS OF REFINEMENT:
 
 
- => No. of fitted parameters:   10
+ => No. of fitted parameters:    0
 
 
 ------------------------------------------------------------------------------
@@ -48,27 +48,27 @@
  ==> ATOM PARAMETERS:
 
   Name      x     sx       y     sy       z      sz      B   sB   occ. socc.  Mult
- La      0.00000(   0)  0.00000(   0)  0.00000(   0)  0.575( 27)  0.010(  0)    1
- Ba      0.00000(   0)  0.00000(   0)  0.00000(   0)  0.575( 27)  0.010(  0)    1
- Co      0.50000(   0)  0.50000(   0)  0.50000(   0)  0.260( 55)  0.021(  0)    1
- O       0.00000(   0)  0.50000(   0)  0.50000(   0)  1.367( 15)  0.061(  0)    3
+ La      0.00000(   0)  0.00000(   0)  0.00000(   0)  0.575(  0)  0.010(  0)    1
+ Ba      0.00000(   0)  0.00000(   0)  0.00000(   0)  0.575(  0)  0.010(  0)    1
+ Co      0.50000(   0)  0.50000(   0)  0.50000(   0)  0.260(  0)  0.021(  0)    1
+ O       0.00000(   0)  0.50000(   0)  0.50000(   0)  1.367(  0)  0.061(  0)    3
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
  => Cell parameters      :
-                              3.89079   0.00002
-                              3.89079   0.00002
-                              3.89079   0.00002
+                              3.89079   0.00000
+                              3.89079   0.00000
+                              3.89079   0.00000
                              90.00000   0.00000
                              90.00000   0.00000
                              90.00000   0.00000
  
- => overall scale factor :      9.405646324     0.053800959
+ => overall scale factor :   9.405870      0.000000    
  => Eta(p-v) or m(p-vii) :    0.00000   0.00000
  => Overall tem. factor  :    0.00000   0.00000
- => Halfwidth parameters :    0.08155   0.00309
-                             -0.11534   0.00665
-                              0.12112   0.00321
+ => Halfwidth parameters :    0.08155   0.00000
+                             -0.11535   0.00000
+                              0.12112   0.00000
  => Preferred orientation:    0.00000   0.00000
                               0.00000   0.00000
  => Asymmetry parameters :    0.00000   0.00000
@@ -76,7 +76,7 @@
                               0.00000   0.00000
                               0.00000   0.00000
  => X and y parameters   :    0.00000   0.00000
-                              0.08304   0.00190
+                              0.08304   0.00000
  => Strain parameters    :    0.00000   0.00000
                               0.00000   0.00000
                               0.00000   0.00000
@@ -84,154 +84,53 @@
                               0.00000   0.00000
 
  => Add. shape parameters: 
-                              0.00000   0.00000
-                              0.00000   0.00000
+                              0.00000       0.00000    
+                              0.00000       0.00000    
 
 
 
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:     0.6204    0.0010
+ => Zero-point:     0.6204    0.0000
  => Cos(2theta)-shift parameter :   0.0000  0.0000
  => Sin(2theta)-shift parameter :   0.0000  0.0000
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
-  => Cycle: 31 => MaxCycle:500
- => N-P+C:  3081
+  => Cycle:  1 => MaxCycle:500
+ => N-P+C:  3091
  =>  R-factors (not corrected for background) for Pattern:  1
- => Rp:  5.62     Rwp:  7.22     Rexp:    6.35 Chi2:  1.29      L.S. refinement
+ => Rp:  5.62     Rwp:  7.22     Rexp:    6.36 Chi2:  1.29      L.S. refinement
  => Conventional Rietveld R-factors for Pattern:  1
- => Rp:  21.2     Rwp:  16.1     Rexp:   14.18 Chi2:  1.29    
- => Deviance:  0.379E+04     Dev*  :   1.230    
- => DW-Stat.:    1.5702     DW-exp:     1.8947
- => N-sigma of the GoF:       11.515
+ => Rp:  21.2     Rwp:  16.1     Rexp:   14.20 Chi2:  1.29    
+ => Deviance:  0.379E+04     Dev*  :   1.227    
+ => DW-Stat.:    1.5701     DW-exp:     1.8882
+ => N-sigma of the GoF:       11.372
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => N-P+C:  3051
+ => N-P+C:  3061
  =>  R-factors (not corrected for background) for Pattern:  1
- => Rp:  5.61     Rwp:  7.22     Rexp:    6.34 Chi2:  1.30      L.S. refinement
+ => Rp:  5.61     Rwp:  7.22     Rexp:    6.35 Chi2:  1.29      L.S. refinement
  => Conventional Rietveld R-factors for Pattern:  1
- => Rp:  21.0     Rwp:  16.1     Rexp:   14.11 Chi2:  1.30    
- => Deviance:  0.376E+04     Dev*  :   1.233    
- => DW-Stat.:    1.5809     DW-exp:     1.8942
- => N-sigma of the GoF:       11.608
+ => Rp:  21.0     Rwp:  16.1     Rexp:   14.13 Chi2:  1.29    
+ => Deviance:  0.376E+04     Dev*  :   1.229    
+ => DW-Stat.:    1.5808     DW-exp:     1.8877
+ => N-sigma of the GoF:       11.465
 
- => Global user-weigthed Chi2 (Bragg contrib.):   1.31    
+ => Global user-weigthed Chi2 (Bragg contrib.):   1.30    
 
      -----------------------------------------------------
      BRAGG R-Factors and weight fractions for Pattern #  1
      -----------------------------------------------------
 
  => Phase:  1     LBCO
- => Bragg R-factor:   4.16       Vol:   58.900( 0.001)  Fract(%):  100.00( 0.81)
+ => Bragg R-factor:   4.16       Vol:   58.900( 0.000)  Fract(%):  100.00( 0.00)
  => Rf-factor=  4.38             ATZ:         244.138   Brindley:  1.0000
 
-
-       ----------------------------------------------------
-       -    ANALYSIS OF THE REFINEMENT FOR PATTERN #  1   -
-       ----------------------------------------------------
-
-
- => GLOBAL INDICATORS:
-
-    The first and last reflections appears at:
-    2theta(degrees)/T.O.F(microsecs)/Energy(KeV) =>         22.138       156.458
-    s (angstroms-1) =>     0.2570    1.3105
-    D (angstroms  ) =>     3.8908    0.7630
-    sin(theta/lamb) =>     0.1285    0.6553
-    Q (angstroms-1) =>     3.2298   16.4687
-
-    The average FWHM is:   0.5225  Fwhm(av)/step =  10.4493
-
- => Sum(Yiobs-Yical):     1764.53    1577.09    -295.84     187.20 <- Four regions
-            Total ->      3232.98
-
-  Expected Rp (background uncorrected):     4.76 Observed->     5.62
-  Expected cRp(background   corrected):    17.97 Observed->    21.19
-  -> Ratio Rp/Exp=cRp/cExp:     1.18
-  Weighted Average Bragg R-factor:     4.16
-  Weighted Average      RF-factor:     4.38
-  Reduced Chi-square :     1.30
-
- => Total number of "independent" reflections:     28
-    Effective number (account for resolution) of reflections: 
-                      at level p=1.00  :  23.0
-                      at level p=0.50  :  23.0
-                      at level p=0.25  :  23.0
-
-    A reflection contributes as x/(x+nearest), where "x"  
-    is the fraction of the total area of the current phase and 
-   "nearest" is the number of adjacent reflections verifying the formula:
-
-    Postn-p*FWHM <= Postn(adjacent) <= Postn+p*FWHM 
-
-   "nearest" is weighted by the corresponding "x(s)" 
-
- =>             Number of global  refined parameters:      1
-                Number of profile refined parameters:      6
-    Number of intensity-affecting refined parameters:      3
-      (Preferred orientation belongs to this class)   
-
- => (Effective Number of reflections)/(Number of intensity parameters)= refni
-      Ratio ( Optimistic view,p=0.25):    7.7
-      Ratio (Pessimistic view,p=1.00):    7.7
-      Ratio (   Eclectic view,p=0.50):    7.7
-
- => PHASE DEPENDENT INDICATORS:
-
- => Positions and FWHM of the sharpest reflection
-
-     Phase  2Theta/TOF  FWHM     Q       DQ      Delta   Dd/d(%)
-
-       1      65.78   0.3391   4.5676  0.02090  0.38553  0.458
-
-   Q ,DQ(FWHM in Q-space) and Delta are given in 1/angstroms
- Delta is the expected step between consecutive reflections at Q
-
- Phase    %Cont  Nintdp  Nprofp   Nref      Enref(Effective)
-                                         R:p=1  R:p=1/2  R:p=1/4
-     1  100.00       3       6      28   23.00   23.00   23.00
-                                          7.67    7.67    7.67
-  Where:
-  %Cont: percentage of the total integrated intensity (100x)
- Nintdp: Number of intensity-affecting refined parameters
- Nprofp: Number of profile refined parameters
-   Nref: Number "independent" contributing reflections
-  Enref: Effective Number of reflections for each p-value
-R:p=1/n: Ratio Enref(Effective)/Nintdp <- "Solvability Index" 
-
-
- => ANALYSIS OF STANDARD DEVIATIONS
-
-    Phase:  1 Degrees of freedom for p=1, 1/2, 1/4:            20.00           20.00           20.00
-              Chi2 based on integrated intensities:            11.43           11.43           11.43
-              Calculated with Scott'S FORMULA     :    46.15   46.15   46.15
-
- => Standard deviations concern the PRECISION of parameters and
-    represent ACCURACY only if there is no systematic errors
-    A better estimate of the accuracy of structural parameters
-    is obtained multiplying sigmas by the parameter SCOR
- -> SCOR =   1.4020 { Berar'S FORMULA}
- -> SCOR =   3.2325 {Pawley'S FORMULA}
- -> Application of modified Scott'S FORMULA
-    SCOR(p=1,1/2,1/4) =             2.97            2.97            2.97
-    SCOR(expected Si) =       5.9646      5.9646      5.9646
-   Warning! Do not take into account Scott'S SCOR
-            These indicators are under test....
-
- => ANALYSIS OF CORRELATED PARAMETERS 
-
-  -> The parameter:    1 appears   2 times
-  -> The parameter:    4 appears   3 times
-  -> The number of correlated parameters is :   2
-
- => Your refinement seems to be very good!
-
  
-              CPU Time:     1.406 seconds
-                            0.023 minutes
+              CPU Time:     0.164 seconds
+                            0.003 minutes
 
- => Run finished at:     Date: 07/06/2026  Time: 23:21:48.064                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:02.516                              
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.sym b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.sym
index e051dce75..0c5e80b30 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.sym
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco.sym
@@ -182,53 +182,53 @@
 
   -> Information on Atom: La     at position:    0.00000   0.00000   0.00000  Multiplicity:   1
      List of symmetry operators and symmetry elements of the site point group:
-     Operator  2:  x,-y,-z                       2 x,0,0   
-     Operator  3:  -x,y,-z                       2 0,y,0   
-     Operator  4:  -x,-y,z                       2 0,0,z   
-     Operator  5:  y,z,x                         3- x,x,x  
-     Operator  6:  -y,-z,x                       3+ x,-x,x 
-     Operator  7:  y,-z,-x                       3+ x,x,-x 
-     Operator  8:  -y,z,-x                       3- x,-x,-x
-     Operator  9:  z,x,y                         3+ x,x,x  
-     Operator 10:  -z,x,-y                       3- x,x,-x 
-     Operator 11:  -z,-x,y                       3+ x,-x,-x
-     Operator 12:  z,-x,-y                       3- x,-x,x 
-     Operator 13:  y,x,z                         m x,x,z   
-     Operator 14:  -y,x,-z                       -4- 0,0,z; 0,0,0
-     Operator 15:  y,-x,-z                       -4+ 0,0,z; 0,0,0
-     Operator 16:  -y,-x,z                       m x,-x,z  
-     Operator 17:  z,y,x                         m x,y,x   
-     Operator 18:  -z,-y,x                       -4+ 0,y,0; 0,0,0
-     Operator 19:  -z,y,-x                       m x,y,-x  
-     Operator 20:  z,-y,-x                       -4- 0,y,0; 0,0,0
-     Operator 21:  x,z,y                         m x,y,y   
-     Operator 22:  x,-z,-y                       m x,y,-y  
-     Operator 23:  -x,-z,y                       -4- x,0,0; 0,0,0
-     Operator 24:  -x,z,-y                       -4+ x,0,0; 0,0,0
-     Operator 25:  -x,-y,-z                      -1 0,0,0  
-     Operator 26:  -x,y,z                        m 0,y,z   
-     Operator 27:  x,-y,z                        m x,0,z   
-     Operator 28:  x,y,-z                        m x,y,0   
-     Operator 29:  -y,-z,-x                      -3- x,x,x; 0,0,0
-     Operator 30:  y,z,-x                        -3+ x,-x,x; 0,0,0
-     Operator 31:  -y,z,x                        -3+ x,x,-x; 0,0,0
-     Operator 32:  y,-z,x                        -3- x,-x,-x; 0,0,0
-     Operator 33:  -z,-x,-y                      -3+ x,x,x; 0,0,0
-     Operator 34:  z,-x,y                        -3- x,x,-x; 0,0,0
-     Operator 35:  z,x,-y                        -3+ x,-x,-x; 0,0,0
-     Operator 36:  -z,x,y                        -3- x,-x,x; 0,0,0
-     Operator 37:  -y,-x,-z                      2 x,-x,0  
-     Operator 38:  y,-x,z                        4- 0,0,z  
-     Operator 39:  -y,x,z                        4+ 0,0,z  
-     Operator 40:  y,x,-z                        2 x,x,0   
-     Operator 41:  -z,-y,-x                      2 x,0,-x  
-     Operator 42:  z,y,-x                        4+ 0,y,0  
-     Operator 43:  z,-y,x                        2 x,0,x   
-     Operator 44:  -z,y,x                        4- 0,y,0  
-     Operator 45:  -x,-z,-y                      2 0,y,-y  
-     Operator 46:  -x,z,y                        2 0,y,y   
-     Operator 47:  x,z,-y                        4- x,0,0  
-     Operator 48:  x,-z,y                        4+ x,0,0  
+     Operator  2:  x,-y,-z                       2 x,0,0                                           
+     Operator  3:  -x,y,-z                       2 0,y,0                                           
+     Operator  4:  -x,-y,z                       2 0,0,z                                           
+     Operator  5:  y,z,x                         3- x,x,x                                          
+     Operator  6:  -y,-z,x                       3+ x,-x,x                                         
+     Operator  7:  y,-z,-x                       3+ x,x,-x                                         
+     Operator  8:  -y,z,-x                       3- x,-x,-x                                        
+     Operator  9:  z,x,y                         3+ x,x,x                                          
+     Operator 10:  -z,x,-y                       3- x,x,-x                                         
+     Operator 11:  -z,-x,y                       3+ x,-x,-x                                        
+     Operator 12:  z,-x,-y                       3- x,-x,x                                         
+     Operator 13:  y,x,z                         m x,x,z                                           
+     Operator 14:  -y,x,-z                       -4- 0,0,z; 0,0,0                                  
+     Operator 15:  y,-x,-z                       -4+ 0,0,z; 0,0,0                                  
+     Operator 16:  -y,-x,z                       m x,-x,z                                          
+     Operator 17:  z,y,x                         m x,y,x                                           
+     Operator 18:  -z,-y,x                       -4+ 0,y,0; 0,0,0                                  
+     Operator 19:  -z,y,-x                       m x,y,-x                                          
+     Operator 20:  z,-y,-x                       -4- 0,y,0; 0,0,0                                  
+     Operator 21:  x,z,y                         m x,y,y                                           
+     Operator 22:  x,-z,-y                       m x,y,-y                                          
+     Operator 23:  -x,-z,y                       -4- x,0,0; 0,0,0                                  
+     Operator 24:  -x,z,-y                       -4+ x,0,0; 0,0,0                                  
+     Operator 25:  -x,-y,-z                      -1 0,0,0                                          
+     Operator 26:  -x,y,z                        m 0,y,z                                           
+     Operator 27:  x,-y,z                        m x,0,z                                           
+     Operator 28:  x,y,-z                        m x,y,0                                           
+     Operator 29:  -y,-z,-x                      -3- x,x,x; 0,0,0                                  
+     Operator 30:  y,z,-x                        -3+ x,-x,x; 0,0,0                                 
+     Operator 31:  -y,z,x                        -3+ x,x,-x; 0,0,0                                 
+     Operator 32:  y,-z,x                        -3- x,-x,-x; 0,0,0                                
+     Operator 33:  -z,-x,-y                      -3+ x,x,x; 0,0,0                                  
+     Operator 34:  z,-x,y                        -3- x,x,-x; 0,0,0                                 
+     Operator 35:  z,x,-y                        -3+ x,-x,-x; 0,0,0                                
+     Operator 36:  -z,x,y                        -3- x,-x,x; 0,0,0                                 
+     Operator 37:  -y,-x,-z                      2 x,-x,0                                          
+     Operator 38:  y,-x,z                        4- 0,0,z                                          
+     Operator 39:  -y,x,z                        4+ 0,0,z                                          
+     Operator 40:  y,x,-z                        2 x,x,0                                           
+     Operator 41:  -z,-y,-x                      2 x,0,-x                                          
+     Operator 42:  z,y,-x                        4+ 0,y,0                                          
+     Operator 43:  z,-y,x                        2 x,0,x                                           
+     Operator 44:  -z,y,x                        4- 0,y,0                                          
+     Operator 45:  -x,-z,-y                      2 0,y,-y                                          
+     Operator 46:  -x,z,y                        2 0,y,y                                           
+     Operator 47:  x,z,-y                        4- x,0,0                                          
+     Operator 48:  x,-z,y                        4+ x,0,0                                          
      Codes for atom coordinates  (Automatic Constraints):        0.00        0.00        0.00
      Codes for anisotropic betas (Automatic Constraints):        0.00        0.00        0.00        0.00        0.00        0.00
 
@@ -238,53 +238,53 @@
 
   -> Information on Atom: Ba     at position:    0.00000   0.00000   0.00000  Multiplicity:   1
      List of symmetry operators and symmetry elements of the site point group:
-     Operator  2:  x,-y,-z                       2 x,0,0   
-     Operator  3:  -x,y,-z                       2 0,y,0   
-     Operator  4:  -x,-y,z                       2 0,0,z   
-     Operator  5:  y,z,x                         3- x,x,x  
-     Operator  6:  -y,-z,x                       3+ x,-x,x 
-     Operator  7:  y,-z,-x                       3+ x,x,-x 
-     Operator  8:  -y,z,-x                       3- x,-x,-x
-     Operator  9:  z,x,y                         3+ x,x,x  
-     Operator 10:  -z,x,-y                       3- x,x,-x 
-     Operator 11:  -z,-x,y                       3+ x,-x,-x
-     Operator 12:  z,-x,-y                       3- x,-x,x 
-     Operator 13:  y,x,z                         m x,x,z   
-     Operator 14:  -y,x,-z                       -4- 0,0,z; 0,0,0
-     Operator 15:  y,-x,-z                       -4+ 0,0,z; 0,0,0
-     Operator 16:  -y,-x,z                       m x,-x,z  
-     Operator 17:  z,y,x                         m x,y,x   
-     Operator 18:  -z,-y,x                       -4+ 0,y,0; 0,0,0
-     Operator 19:  -z,y,-x                       m x,y,-x  
-     Operator 20:  z,-y,-x                       -4- 0,y,0; 0,0,0
-     Operator 21:  x,z,y                         m x,y,y   
-     Operator 22:  x,-z,-y                       m x,y,-y  
-     Operator 23:  -x,-z,y                       -4- x,0,0; 0,0,0
-     Operator 24:  -x,z,-y                       -4+ x,0,0; 0,0,0
-     Operator 25:  -x,-y,-z                      -1 0,0,0  
-     Operator 26:  -x,y,z                        m 0,y,z   
-     Operator 27:  x,-y,z                        m x,0,z   
-     Operator 28:  x,y,-z                        m x,y,0   
-     Operator 29:  -y,-z,-x                      -3- x,x,x; 0,0,0
-     Operator 30:  y,z,-x                        -3+ x,-x,x; 0,0,0
-     Operator 31:  -y,z,x                        -3+ x,x,-x; 0,0,0
-     Operator 32:  y,-z,x                        -3- x,-x,-x; 0,0,0
-     Operator 33:  -z,-x,-y                      -3+ x,x,x; 0,0,0
-     Operator 34:  z,-x,y                        -3- x,x,-x; 0,0,0
-     Operator 35:  z,x,-y                        -3+ x,-x,-x; 0,0,0
-     Operator 36:  -z,x,y                        -3- x,-x,x; 0,0,0
-     Operator 37:  -y,-x,-z                      2 x,-x,0  
-     Operator 38:  y,-x,z                        4- 0,0,z  
-     Operator 39:  -y,x,z                        4+ 0,0,z  
-     Operator 40:  y,x,-z                        2 x,x,0   
-     Operator 41:  -z,-y,-x                      2 x,0,-x  
-     Operator 42:  z,y,-x                        4+ 0,y,0  
-     Operator 43:  z,-y,x                        2 x,0,x   
-     Operator 44:  -z,y,x                        4- 0,y,0  
-     Operator 45:  -x,-z,-y                      2 0,y,-y  
-     Operator 46:  -x,z,y                        2 0,y,y   
-     Operator 47:  x,z,-y                        4- x,0,0  
-     Operator 48:  x,-z,y                        4+ x,0,0  
+     Operator  2:  x,-y,-z                       2 x,0,0                                           
+     Operator  3:  -x,y,-z                       2 0,y,0                                           
+     Operator  4:  -x,-y,z                       2 0,0,z                                           
+     Operator  5:  y,z,x                         3- x,x,x                                          
+     Operator  6:  -y,-z,x                       3+ x,-x,x                                         
+     Operator  7:  y,-z,-x                       3+ x,x,-x                                         
+     Operator  8:  -y,z,-x                       3- x,-x,-x                                        
+     Operator  9:  z,x,y                         3+ x,x,x                                          
+     Operator 10:  -z,x,-y                       3- x,x,-x                                         
+     Operator 11:  -z,-x,y                       3+ x,-x,-x                                        
+     Operator 12:  z,-x,-y                       3- x,-x,x                                         
+     Operator 13:  y,x,z                         m x,x,z                                           
+     Operator 14:  -y,x,-z                       -4- 0,0,z; 0,0,0                                  
+     Operator 15:  y,-x,-z                       -4+ 0,0,z; 0,0,0                                  
+     Operator 16:  -y,-x,z                       m x,-x,z                                          
+     Operator 17:  z,y,x                         m x,y,x                                           
+     Operator 18:  -z,-y,x                       -4+ 0,y,0; 0,0,0                                  
+     Operator 19:  -z,y,-x                       m x,y,-x                                          
+     Operator 20:  z,-y,-x                       -4- 0,y,0; 0,0,0                                  
+     Operator 21:  x,z,y                         m x,y,y                                           
+     Operator 22:  x,-z,-y                       m x,y,-y                                          
+     Operator 23:  -x,-z,y                       -4- x,0,0; 0,0,0                                  
+     Operator 24:  -x,z,-y                       -4+ x,0,0; 0,0,0                                  
+     Operator 25:  -x,-y,-z                      -1 0,0,0                                          
+     Operator 26:  -x,y,z                        m 0,y,z                                           
+     Operator 27:  x,-y,z                        m x,0,z                                           
+     Operator 28:  x,y,-z                        m x,y,0                                           
+     Operator 29:  -y,-z,-x                      -3- x,x,x; 0,0,0                                  
+     Operator 30:  y,z,-x                        -3+ x,-x,x; 0,0,0                                 
+     Operator 31:  -y,z,x                        -3+ x,x,-x; 0,0,0                                 
+     Operator 32:  y,-z,x                        -3- x,-x,-x; 0,0,0                                
+     Operator 33:  -z,-x,-y                      -3+ x,x,x; 0,0,0                                  
+     Operator 34:  z,-x,y                        -3- x,x,-x; 0,0,0                                 
+     Operator 35:  z,x,-y                        -3+ x,-x,-x; 0,0,0                                
+     Operator 36:  -z,x,y                        -3- x,-x,x; 0,0,0                                 
+     Operator 37:  -y,-x,-z                      2 x,-x,0                                          
+     Operator 38:  y,-x,z                        4- 0,0,z                                          
+     Operator 39:  -y,x,z                        4+ 0,0,z                                          
+     Operator 40:  y,x,-z                        2 x,x,0                                           
+     Operator 41:  -z,-y,-x                      2 x,0,-x                                          
+     Operator 42:  z,y,-x                        4+ 0,y,0                                          
+     Operator 43:  z,-y,x                        2 x,0,x                                           
+     Operator 44:  -z,y,x                        4- 0,y,0                                          
+     Operator 45:  -x,-z,-y                      2 0,y,-y                                          
+     Operator 46:  -x,z,y                        2 0,y,y                                           
+     Operator 47:  x,z,-y                        4- x,0,0                                          
+     Operator 48:  x,-z,y                        4+ x,0,0                                          
      Codes for atom coordinates  (Automatic Constraints):        0.00        0.00        0.00
      Codes for anisotropic betas (Automatic Constraints):        0.00        0.00        0.00        0.00        0.00        0.00
 
@@ -294,53 +294,53 @@
 
   -> Information on Atom: Co     at position:    0.50000   0.50000   0.50000  Multiplicity:   1
      List of symmetry operators and symmetry elements of the site point group:
-     Operator  2:  y,z,x                         3- x,x,x  
-     Operator  3:  z,x,y                         3+ x,x,x  
-     Operator  4:  y,x,z                         m x,x,z   
-     Operator  5:  z,y,x                         m x,y,x   
-     Operator  6:  x,z,y                         m x,y,y   
-     Operator  7:  x,y,-z+1                      m x,y,1/2 
-     Operator  8:  y,z,-x+1                      -3+ x,-x+1,x; 1/2,1/2,1/2
-     Operator  9:  z,x,-y+1                      -3+ x,-x+1,-x+1; 1/2,1/2,1/2
-     Operator 10:  y,x,-z+1                      2 x,x,1/2 
-     Operator 11:  z,y,-x+1                      4+ 1/2,y,1/2
-     Operator 12:  x,z,-y+1                      4- x,1/2,1/2
-     Operator 13:  x,-y+1,z                      m x,1/2,z 
-     Operator 14:  y,-z+1,x                      -3- x,-x+1,-x+1; 1/2,1/2,1/2
-     Operator 15:  z,-x+1,y                      -3- x,x,-x+1; 1/2,1/2,1/2
-     Operator 16:  y,-x+1,z                      4- 1/2,1/2,z
-     Operator 17:  z,-y+1,x                      2 x,1/2,x 
-     Operator 18:  x,-z+1,y                      4+ x,1/2,1/2
-     Operator 19:  x,-y+1,-z+1                   2 x,1/2,1/2
-     Operator 20:  y,-z+1,-x+1                   3+ x,x,-x+1
-     Operator 21:  z,-x+1,-y+1                   3- x,-x+1,x
-     Operator 22:  y,-x+1,-z+1                   -4+ 1/2,1/2,z; 1/2,1/2,1/2
-     Operator 23:  z,-y+1,-x+1                   -4- 1/2,y,1/2; 1/2,1/2,1/2
-     Operator 24:  x,-z+1,-y+1                   m x,y,-y+1
-     Operator 25:  -x+1,y,z                      m 1/2,y,z 
-     Operator 26:  -y+1,z,x                      -3+ x,x,-x+1; 1/2,1/2,1/2
-     Operator 27:  -z+1,x,y                      -3- x,-x+1,x; 1/2,1/2,1/2
-     Operator 28:  -y+1,x,z                      4+ 1/2,1/2,z
-     Operator 29:  -z+1,y,x                      4- 1/2,y,1/2
-     Operator 30:  -x+1,z,y                      2 1/2,y,y 
-     Operator 31:  -x+1,y,-z+1                   2 1/2,y,1/2
-     Operator 32:  -y+1,z,-x+1                   3- x,-x+1,-x+1
-     Operator 33:  -z+1,x,-y+1                   3- x,x,-x+1
-     Operator 34:  -y+1,x,-z+1                   -4- 1/2,1/2,z; 1/2,1/2,1/2
-     Operator 35:  -z+1,y,-x+1                   m x,y,-x+1
-     Operator 36:  -x+1,z,-y+1                   -4+ x,1/2,1/2; 1/2,1/2,1/2
-     Operator 37:  -x+1,-y+1,z                   2 1/2,1/2,z
-     Operator 38:  -y+1,-z+1,x                   3+ x,-x+1,x
-     Operator 39:  -z+1,-x+1,y                   3+ x,-x+1,-x+1
-     Operator 40:  -y+1,-x+1,z                   m x,-x+1,z
-     Operator 41:  -z+1,-y+1,x                   -4+ 1/2,y,1/2; 1/2,1/2,1/2
-     Operator 42:  -x+1,-z+1,y                   -4- x,1/2,1/2; 1/2,1/2,1/2
-     Operator 43:  -x+1,-y+1,-z+1                -1 1/2,1/2,1/2
-     Operator 44:  -y+1,-z+1,-x+1                -3- x,x,x; 1/2,1/2,1/2
-     Operator 45:  -z+1,-x+1,-y+1                -3+ x,x,x; 1/2,1/2,1/2
-     Operator 46:  -y+1,-x+1,-z+1                2 x,-x+1,1/2
-     Operator 47:  -z+1,-y+1,-x+1                2 x,1/2,-x+1
-     Operator 48:  -x+1,-z+1,-y+1                2 1/2,y,-y+1
+     Operator  2:  y,z,x                         3- x,x,x                                          
+     Operator  3:  z,x,y                         3+ x,x,x                                          
+     Operator  4:  y,x,z                         m x,x,z                                           
+     Operator  5:  z,y,x                         m x,y,x                                           
+     Operator  6:  x,z,y                         m x,y,y                                           
+     Operator  7:  x,y,-z+1                      m x,y,1/2                                         
+     Operator  8:  y,z,-x+1                      -3+ x,-x+1,x; 1/2,1/2,1/2                         
+     Operator  9:  z,x,-y+1                      -3+ x,-x+1,-x+1; 1/2,1/2,1/2                      
+     Operator 10:  y,x,-z+1                      2 x,x,1/2                                         
+     Operator 11:  z,y,-x+1                      4+ 1/2,y,1/2                                      
+     Operator 12:  x,z,-y+1                      4- x,1/2,1/2                                      
+     Operator 13:  x,-y+1,z                      m x,1/2,z                                         
+     Operator 14:  y,-z+1,x                      -3- x,-x+1,-x+1; 1/2,1/2,1/2                      
+     Operator 15:  z,-x+1,y                      -3- x,x,-x+1; 1/2,1/2,1/2                         
+     Operator 16:  y,-x+1,z                      4- 1/2,1/2,z                                      
+     Operator 17:  z,-y+1,x                      2 x,1/2,x                                         
+     Operator 18:  x,-z+1,y                      4+ x,1/2,1/2                                      
+     Operator 19:  x,-y+1,-z+1                   2 x,1/2,1/2                                       
+     Operator 20:  y,-z+1,-x+1                   3+ x,x,-x+1                                       
+     Operator 21:  z,-x+1,-y+1                   3- x,-x+1,x                                       
+     Operator 22:  y,-x+1,-z+1                   -4+ 1/2,1/2,z; 1/2,1/2,1/2                        
+     Operator 23:  z,-y+1,-x+1                   -4- 1/2,y,1/2; 1/2,1/2,1/2                        
+     Operator 24:  x,-z+1,-y+1                   m x,y,-y+1                                        
+     Operator 25:  -x+1,y,z                      m 1/2,y,z                                         
+     Operator 26:  -y+1,z,x                      -3+ x,x,-x+1; 1/2,1/2,1/2                         
+     Operator 27:  -z+1,x,y                      -3- x,-x+1,x; 1/2,1/2,1/2                         
+     Operator 28:  -y+1,x,z                      4+ 1/2,1/2,z                                      
+     Operator 29:  -z+1,y,x                      4- 1/2,y,1/2                                      
+     Operator 30:  -x+1,z,y                      2 1/2,y,y                                         
+     Operator 31:  -x+1,y,-z+1                   2 1/2,y,1/2                                       
+     Operator 32:  -y+1,z,-x+1                   3- x,-x+1,-x+1                                    
+     Operator 33:  -z+1,x,-y+1                   3- x,x,-x+1                                       
+     Operator 34:  -y+1,x,-z+1                   -4- 1/2,1/2,z; 1/2,1/2,1/2                        
+     Operator 35:  -z+1,y,-x+1                   m x,y,-x+1                                        
+     Operator 36:  -x+1,z,-y+1                   -4+ x,1/2,1/2; 1/2,1/2,1/2                        
+     Operator 37:  -x+1,-y+1,z                   2 1/2,1/2,z                                       
+     Operator 38:  -y+1,-z+1,x                   3+ x,-x+1,x                                       
+     Operator 39:  -z+1,-x+1,y                   3+ x,-x+1,-x+1                                    
+     Operator 40:  -y+1,-x+1,z                   m x,-x+1,z                                        
+     Operator 41:  -z+1,-y+1,x                   -4+ 1/2,y,1/2; 1/2,1/2,1/2                        
+     Operator 42:  -x+1,-z+1,y                   -4- x,1/2,1/2; 1/2,1/2,1/2                        
+     Operator 43:  -x+1,-y+1,-z+1                -1 1/2,1/2,1/2                                    
+     Operator 44:  -y+1,-z+1,-x+1                -3- x,x,x; 1/2,1/2,1/2                            
+     Operator 45:  -z+1,-x+1,-y+1                -3+ x,x,x; 1/2,1/2,1/2                            
+     Operator 46:  -y+1,-x+1,-z+1                2 x,-x+1,1/2                                      
+     Operator 47:  -z+1,-y+1,-x+1                2 x,1/2,-x+1                                      
+     Operator 48:  -x+1,-z+1,-y+1                2 1/2,y,-y+1                                      
      Codes for atom coordinates  (Automatic Constraints):        0.00        0.00        0.00
      Codes for anisotropic betas (Automatic Constraints):        0.00        0.00        0.00        0.00        0.00        0.00
 
@@ -350,21 +350,21 @@
 
   -> Information on Atom: O      at position:    0.00000   0.50000   0.50000  Multiplicity:   3
      List of symmetry operators and symmetry elements of the site point group:
-     Operator  2:  x,z,y                         m x,y,y   
-     Operator  3:  -x,y,z                        m 0,y,z   
-     Operator  4:  -x,z,y                        2 0,y,y   
-     Operator  5:  -x,y,-z+1                     2 0,y,1/2 
-     Operator  6:  -x,z,-y+1                     -4+ x,1/2,1/2; 0,1/2,1/2
-     Operator  7:  x,y,-z+1                      m x,y,1/2 
-     Operator  8:  x,z,-y+1                      4- x,1/2,1/2
-     Operator  9:  -x,-y+1,z                     2 0,1/2,z 
-     Operator 10:  -x,-z+1,y                     -4- x,1/2,1/2; 0,1/2,1/2
-     Operator 11:  x,-y+1,z                      m x,1/2,z 
-     Operator 12:  x,-z+1,y                      4+ x,1/2,1/2
-     Operator 13:  x,-y+1,-z+1                   2 x,1/2,1/2
-     Operator 14:  x,-z+1,-y+1                   m x,y,-y+1
-     Operator 15:  -x,-y+1,-z+1                  -1 0,1/2,1/2
-     Operator 16:  -x,-z+1,-y+1                  2 0,y,-y+1
+     Operator  2:  x,z,y                         m x,y,y                                           
+     Operator  3:  -x,y,z                        m 0,y,z                                           
+     Operator  4:  -x,z,y                        2 0,y,y                                           
+     Operator  5:  -x,y,-z+1                     2 0,y,1/2                                         
+     Operator  6:  -x,z,-y+1                     -4+ x,1/2,1/2; 0,1/2,1/2                          
+     Operator  7:  x,y,-z+1                      m x,y,1/2                                         
+     Operator  8:  x,z,-y+1                      4- x,1/2,1/2                                      
+     Operator  9:  -x,-y+1,z                     2 0,1/2,z                                         
+     Operator 10:  -x,-z+1,y                     -4- x,1/2,1/2; 0,1/2,1/2                          
+     Operator 11:  x,-y+1,z                      m x,1/2,z                                         
+     Operator 12:  x,-z+1,y                      4+ x,1/2,1/2                                      
+     Operator 13:  x,-y+1,-z+1                   2 x,1/2,1/2                                       
+     Operator 14:  x,-z+1,-y+1                   m x,y,-y+1                                        
+     Operator 15:  -x,-y+1,-z+1                  -1 0,1/2,1/2                                      
+     Operator 16:  -x,-z+1,-y+1                  2 0,y,-y+1                                        
      Codes for atom coordinates  (Automatic Constraints):        0.00        0.00        0.00
      Codes for anisotropic betas (Automatic Constraints):        0.00        0.00        0.00        0.00        0.00        0.00
 
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco1.sub b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco1.sub
index 477aee1e1..d30089543 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco1.sub
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_lbco/lbco1.sub
@@ -1,3093 +1,3093 @@
 ! Phase No.:   1 LBCO                          
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-      9.779572        0.0000
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-     10.279572        0.0000
-     10.329573        0.0000
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-     10.529572        0.0000
-     10.579573        0.0000
-     10.629573        0.0000
-     10.679573        0.0000
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-     10.829573        0.0000
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-     10.929573        0.0000
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-     12.679573        0.0031
-     12.729573        0.0031
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-     29.929573        1.0143
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-     30.929573        5.2896
-     30.979574        6.4225
-     31.029573        8.3175
-     31.079575       11.7911
-     31.129574       18.3230
-     31.179573       30.1622
-     31.229574       49.9965
-     31.279573       79.9197
-     31.329575      119.7786
-     31.379574      165.5958
-     31.429573      208.7857
-     31.479572      237.1451
-     31.529575      239.7726
-     31.579575      215.5129
-     31.629574      174.0835
-     31.679573      127.9840
-     31.729572       86.6124
-     31.779575       54.7694
-     31.829575       33.2111
-     31.879574       20.1168
-     31.929573       12.8121
-     31.979572        8.9239
-     32.029575        6.8296
-     32.079575        5.6088
-     32.129574        4.8066
-     32.179573        4.2200
-     32.229572        3.7610
-     32.279575        3.3886
-     32.329575        3.0810
-     32.379574        2.8238
-     32.429573        2.6070
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-     32.679573        1.9138
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-     32.879574        1.6262
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-     33.179573        1.4039
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-     33.279575        1.3648
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+    148.879593        2.6202
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+    149.179596        2.6426
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+    149.279587        2.6527
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+    149.379593        2.6642
+    149.429596        2.6705
+    149.479599        2.6770
+    149.529587        2.6839
+    149.579590        2.6911
+    149.629593        2.6986
+    149.679596        2.7065
+    149.729599        2.7147
+    149.779587        2.7232
+    149.829590        2.7321
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+    151.379593        3.2068
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+    151.979599        3.5382
+    152.029587        3.5714
+    152.079590        3.6057
+    152.129593        3.6410
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+    152.229599        3.7150
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+    154.079590        6.8267
+    154.129593        7.0240
+    154.179596        7.2389
+    154.229599        7.4747
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+    154.329590        8.0252
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+    154.429596        8.7173
+    154.479599        9.1346
+    154.529587        9.6116
+    154.579590       10.1600
+    154.629593       10.7931
+    154.679596       11.5263
+    154.729599       12.3772
+    154.779587       13.3655
+    154.829590       14.5140
+    154.879593       15.8471
+    154.929596       17.3917
+    154.979599       19.1766
+    155.029587       21.2316
+    155.079590       23.5897
+    155.129593       26.2825
+    155.179596       29.3418
+    155.229599       32.7985
+    155.279587       36.6798
+    155.329590       41.0132
+    155.379593       45.8181
+    155.429596       51.1091
+    155.479599       56.8931
+    155.529587       63.1670
+    155.579590       69.9231
+    155.629593       77.1374
+    155.679596       84.7754
+    155.729599       92.7901
+    155.779587      101.1182
+    155.829590      109.6902
+    155.879593      118.4147
+    155.929596      127.1885
+    155.979599      135.8941
+    156.029587      144.3981
+    156.079590      152.5621
+    156.129593      160.2292
+    156.179596      167.2382
+    156.229599      173.4254
+    156.279587      178.6303
+    156.329590      182.7104
+    156.379593      185.5413
+    156.429596      187.0336
+    156.479599      187.1386
+    156.529587      185.8540
+    156.579590      183.2222
+    156.629593      179.3281
+    156.679596      174.2907
+    156.729599      168.2535
+    156.779587      161.3765
+    156.829590      153.8191
+    156.879593      145.7451
+    156.929596      137.3098
+    156.979599      128.6583
+    157.029587      119.9257
+    157.079590      111.2260
+    157.129593      102.6669
+    157.179596       94.3388
+    157.229599       86.3183
+    157.279587       78.6700
+    157.329590       71.4380
+    157.379593       64.6606
+    157.429596       58.3616
+    157.479599       52.5536
+    157.529587       47.2407
+    157.579590       42.4135
+    157.629593       38.0600
+    157.679596       34.1605
+    157.729599       30.6903
+    157.779587       27.6222
+    157.829590       24.9236
+    157.879593       22.5638
+    157.929596       20.5106
+    157.979599       18.7322
+    158.029587       17.1985
+    158.079590       15.8793
+    158.129593       14.7481
+    158.179596       13.7799
+    158.229599       12.9522
+    158.279587       12.2450
+    158.329590       11.6398
+    158.379593       11.1213
+    158.429596       10.6758
+    158.479599       10.2917
+    158.529587        9.9592
+    158.579590        9.6697
+    158.629593        9.4163
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+    158.729599        8.9955
+    158.779587        8.8194
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+    159.929596        7.2538
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+    160.029587        7.2272
+    160.079590        7.2177
+    160.129593        7.2107
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+    161.029587        7.4255
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+    161.129593        7.4827
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+    161.329590        7.6143
+    161.379593        7.6507
+    161.429596        7.6885
+    161.479599        7.7276
+    161.529587        7.7681
+    161.579590        7.8100
+    161.629593        7.8532
+    161.679596        7.8977
+    161.729599        7.9436
+    161.779587        7.9908
+    161.829590        8.0393
+    161.879593        8.0892
+    161.929596        8.1405
+    161.979599        8.1930
+    162.029587        8.2470
+    162.079590        8.3022
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+    162.279587        8.5370
+    162.329590        8.5992
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+    162.429596        8.7278
+    162.479599        8.7943
+    162.529587        8.8621
+    162.579590        8.9315
+    162.629593        9.0024
+    162.679596        9.0748
+    162.729599        9.1487
+    162.779587        9.2242
+    162.829590        9.3012
+    162.879593        9.3799
+    162.929596        9.4602
+    162.979599        9.5422
+    163.029587        9.6259
+    163.079590        9.7113
+    163.129593        9.7985
+    163.179596        9.8875
+    163.229599        9.9784
+    163.279587       10.0712
+    163.329590       10.1659
+    163.379593       10.2626
+    163.429596       10.3614
+    163.479599       10.4623
+    163.529587       10.5653
+    163.579590       10.6706
+    163.629593       10.7783
+    163.679596       10.8883
+    163.729599       11.0008
+    163.779587       11.1157
+    163.829590       11.2334
+    163.879593       11.3538
+    163.929596       11.4771
+    163.979599       11.6033
+    164.029587       11.6354
+    164.079590       11.7683
+    164.129593       11.9045
+    164.179596       12.0442
+    164.229599        0.0000
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/CFML_Restraints_1.tpcr b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/CFML_Restraints_1.tpcr
index 507eba7b0..60b23b85b 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/CFML_Restraints_1.tpcr
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/CFML_Restraints_1.tpcr
@@ -14,31 +14,31 @@
    List of possible restraints: 
 
  At1   At2  ITnum     T1        T2        T3          DIST   SIGMA
-  Pb    S       2   0.50000   0.00000  -0.50000      3.4184 0.0016
-  Pb    O1      4  -0.50000   0.50000   0.50000      2.6144 0.0018
-  Pb    O1      3   1.00000  -0.50000   1.00000      3.2665 0.0010
-  Pb    O2      1   0.00000   0.00000   0.00000      2.6202 0.0024
-  Pb    O2      2   0.50000   0.00000  -0.50000      3.0048 0.0009
-  Pb    O3      1   0.00000   0.00000  -1.00000      2.9121 0.0015
-  Pb    O3      3   0.00000   0.50000   1.00000      2.7302 0.0013
-  Pb    O3      2   0.50000   0.00000  -0.50000      2.6556 0.0013
-  S     O1      1  -1.00000   0.00000   0.00000      1.4676 0.0031
-  S     O1      4  -0.50000   0.50000   1.50000      3.2874 0.0031
-  S     O1      3   1.00000  -0.50000   1.00000      3.3332 0.0018
-  S     O2      1   0.00000   0.00000   0.00000      1.4639 0.0033
-  S     O3      1   0.00000   0.00000   0.00000      1.4888 0.0019
-  O1    O1      3   2.00000  -0.50000   1.00000      3.3861 0.0013
-  O1    O2      1   1.00000   0.00000   0.00000      2.4488 0.0024
-  O1    O2      4   0.50000   0.50000   1.50000      3.0999 0.0025
-  O1    O2      3   1.00000  -0.50000   1.00000      2.9942 0.0011
-  O1    O3      1   1.00000   0.00000   0.00000      2.4078 0.0017
-  O1    O3      4   0.50000   0.50000   1.50000      3.0953 0.0019
-  O1    O3      3   1.00000   0.50000   1.00000      3.1855 0.0016
-  O2    O3      1   0.00000   0.00000   0.00000      2.4002 0.0020
-  O2    O3      2   0.50000   0.00000  -0.50000      2.9235 0.0019
-  O3    O3     -1   0.00000   0.00000   2.00000      3.0117 0.0016
-  O3    O3     -3   0.00000  -0.50000   0.00000      2.9911 0.0014
-  O3    O3     -3   0.00000   0.50000   0.00000      2.4054 0.0014
+  Pb    S       2   0.50000   0.00000  -0.50000      3.4183 0.0000
+  Pb    O1      4  -0.50000   0.50000   0.50000      2.6146 0.0000
+  Pb    O1      3   1.00000  -0.50000   1.00000      3.2665 0.0000
+  Pb    O2      1   0.00000   0.00000   0.00000      2.6201 0.0000
+  Pb    O2      2   0.50000   0.00000  -0.50000      3.0049 0.0000
+  Pb    O3      1   0.00000   0.00000  -1.00000      2.9121 0.0000
+  Pb    O3      3   0.00000   0.50000   1.00000      2.7302 0.0000
+  Pb    O3      2   0.50000   0.00000  -0.50000      2.6556 0.0000
+  S     O1      1  -1.00000   0.00000   0.00000      1.4676 0.0000
+  S     O1      4  -0.50000   0.50000   1.50000      3.2873 0.0000
+  S     O1      3   1.00000  -0.50000   1.00000      3.3333 0.0000
+  S     O2      1   0.00000   0.00000   0.00000      1.4638 0.0000
+  S     O3      1   0.00000   0.00000   0.00000      1.4887 0.0000
+  O1    O1      3   2.00000  -0.50000   1.00000      3.3861 0.0000
+  O1    O2      1   1.00000   0.00000   0.00000      2.4487 0.0000
+  O1    O2      4   0.50000   0.50000   1.50000      3.1000 0.0000
+  O1    O2      3   1.00000  -0.50000   1.00000      2.9942 0.0000
+  O1    O3      1   1.00000   0.00000   0.00000      2.4076 0.0000
+  O1    O3      4   0.50000   0.50000   1.50000      3.0954 0.0000
+  O1    O3      3   1.00000   0.50000   1.00000      3.1856 0.0000
+  O2    O3      1   0.00000   0.00000   0.00000      2.4002 0.0000
+  O2    O3      2   0.50000   0.00000  -0.50000      2.9235 0.0000
+  O3    O3     -1   0.00000   0.00000   2.00000      3.0117 0.0000
+  O3    O3     -3   0.00000  -0.50000   0.00000      2.9911 0.0000
+  O3    O3     -3   0.00000   0.50000   0.00000      2.4054 0.0000
 
    ========================================= 
    List of possible restraints in CFL format 
@@ -46,30 +46,30 @@
 
 
 => Total number of independent distance restraints:    25
-DFIX   3.41835  0.00165  Pb  S_4.554
-DFIX   2.61442  0.00184  Pb  O1_2.455
-DFIX   3.26652  0.00102  Pb  O1_3.646
-DFIX   2.62020  0.00237  Pb  O2
-DFIX   3.00484  0.00093  Pb  O2_4.554
-DFIX   2.91214  0.00147  Pb  O3_1.554
-DFIX   2.73017  0.00128  Pb  O3_3.556
-DFIX   2.65564  0.00130  Pb  O3_4.554
-DFIX   1.46763  0.00307  S  O1_1.455
-DFIX   3.28741  0.00307  S  O1_2.456
-DFIX   3.33317  0.00183  S  O1_3.646
-DFIX   1.46388  0.00325  S  O2
-DFIX   1.48879  0.00193  S  O3
-DFIX   3.38611  0.00135  O1  O1_3.746
-DFIX   2.44883  0.00240  O1  O2_1.655
-DFIX   3.09995  0.00247  O1  O2_2.556
-DFIX   2.99418  0.00107  O1  O2_3.646
-DFIX   2.40775  0.00172  O1  O3_1.655
-DFIX   3.09530  0.00189  O1  O3_2.556
-DFIX   3.18546  0.00164  O1  O3_3.656
-DFIX   2.40016  0.00205  O2  O3
-DFIX   2.92349  0.00193  O2  O3_4.554
-DFIX   3.01166  0.00157  O3  O3_5.557
-DFIX   2.99105  0.00137  O3  O3_7.545
-DFIX   2.40543  0.00137  O3  O3_7
+DFIX   3.41825  0.00000  Pb  S_4.554
+DFIX   2.61464  0.00000  Pb  O1_2.455
+DFIX   3.26650  0.00000  Pb  O1_3.646
+DFIX   2.62014  0.00000  Pb  O2
+DFIX   3.00486  0.00000  Pb  O2_4.554
+DFIX   2.91214  0.00000  Pb  O3_1.554
+DFIX   2.73017  0.00000  Pb  O3_3.556
+DFIX   2.65564  0.00000  Pb  O3_4.554
+DFIX   1.46761  0.00000  S  O1_1.455
+DFIX   3.28732  0.00000  S  O1_2.456
+DFIX   3.33327  0.00000  S  O1_3.646
+DFIX   1.46385  0.00000  S  O2
+DFIX   1.48873  0.00000  S  O3
+DFIX   3.38606  0.00000  O1  O1_3.746
+DFIX   2.44869  0.00000  O1  O2_1.655
+DFIX   3.10000  0.00000  O1  O2_2.556
+DFIX   2.99425  0.00000  O1  O2_3.646
+DFIX   2.40756  0.00000  O1  O3_1.655
+DFIX   3.09542  0.00000  O1  O3_2.556
+DFIX   3.18559  0.00000  O1  O3_3.656
+DFIX   2.40021  0.00000  O2  O3
+DFIX   2.92345  0.00000  O2  O3_4.554
+DFIX   3.01167  0.00000  O3  O3_5.557
+DFIX   2.99105  0.00000  O3  O3_7.545
+DFIX   2.40543  0.00000  O3  O3_7.555
 
 => Total number of possible angle restraints:     0
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.bac b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.bac
new file mode 100644
index 000000000..578d72798
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.bac
@@ -0,0 +1,292 @@
+       10.143570        0.050000      155.593567  Background of: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+     210     210     210     210     210     210     210     210     210     210
+     210     210     210     210     210     210     210     210     210     210
+     210     210     210     210     209     209     209     209     209     209
+     208     208     208     208     208     208     207     207     207     207
+     207     207     206     206     206     206     206     206     205     205
+     205     205     205     205     204     204     204     204     204     203
+     203     203     203     203     203     202     202     202     202     202
+     202     201     201     201     201     201     201     200     200     200
+     200     200     200     199     199     199     199     199     199     198
+     198     198     198     198     198     197     197     197     197     197
+     197     197     197     197     197     197     197     197     197     197
+     197     197     197     197     197     197     197     197     197     197
+     197     197     197     197     197     197     197     197     197     197
+     197     197     197     197     197     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     195     195     195     195     195
+     195     195     195     195     195     195     195     195     195     195
+     195     195     195     195     195     195     195     195     195     195
+     195     195     195     195     195     194     194     194     194     194
+     194     194     194     194     194     194     194     194     194     194
+     194     194     194     194     194     194     194     194     194     194
+     194     194     194     194     193     193     193     193     193     193
+     193     193     193     193     193     193     193     193     193     193
+     193     193     193     193     193     193     193     193     193     193
+     193     193     193     193     192     192     192     192     192     192
+     192     192     192     192     192     192     192     192     192     192
+     192     192     192     192     192     192     192     192     192     192
+     192     192     192     192     191     191     191     191     191     191
+     191     191     191     191     191     191     191     191     191     191
+     191     191     191     191     191     191     191     191     191     191
+     191     191     191     191     190     190     190     190     190     190
+     190     190     190     190     190     190     190     190     190     190
+     190     190     190     190     190     190     190     190     190     190
+     190     190     190     190     190     190     190     190     190     190
+     190     190     190     190     190     190     190     190     190     190
+     191     191     191     191     191     191     191     191     191     191
+     191     191     191     191     191     191     191     191     191     191
+     191     191     192     192     192     192     192     192     192     192
+     192     192     192     192     192     192     192     192     192     192
+     192     192     192     193     193     193     193     193     193     193
+     193     193     193     193     193     193     193     193     193     193
+     193     193     193     193     193     194     194     194     194     194
+     194     194     194     194     194     194     194     194     194     194
+     194     194     194     194     194     194     194     195     195     195
+     195     195     195     195     195     195     195     195     195     195
+     195     195     195     195     195     195     195     195     195     196
+     196     196     196     196     196     196     196     196     196     196
+     196     196     196     196     196     196     196     196     196     196
+     196     197     197     197     197     197     197     197     197     197
+     197     197     197     197     197     197     197     197     197     197
+     197     197     198     198     198     198     198     198     198     198
+     198     198     198     198     198     198     198     198     198     198
+     198     198     198     198     199     199     199     199     199     199
+     199     199     199     199     199     199     199     199     199     199
+     199     199     199     199     199     199     200     200     200     200
+     200     200     200     200     200     200     200     200     200     200
+     200     200     200     200     200     200     200     200     201     201
+     201     201     201     201     201     201     201     201     201     201
+     201     201     201     201     201     201     201     201     201     202
+     202     202     202     202     202     202     202     202     202     202
+     202     202     202     202     202     202     202     202     202     202
+     202     203     203     203     203     203     203     203     203     203
+     203     203     203     203     203     203     203     203     203     203
+     203     203     203     204     204     204     204     204     204     204
+     204     204     204     204     204     204     204     204     204     204
+     204     204     204     204     204     205     205     205     205     205
+     205     205     205     205     205     205     205     205     205     205
+     205     205     205     205     205     205     205     206     206     206
+     206     206     206     206     206     206     206     206     206     206
+     206     206     206     206     206     206     206     206     207     207
+     207     207     207     207     207     207     207     207     207     207
+     207     207     207     207     207     207     207     207     207     207
+     208     208     208     208     208     208     208     208     208     208
+     208     208     208     208     208     208     208     208     208     208
+     208     208     208     208     208     208     208     208     208     208
+     208     208     208     208     208     208     208     208     208     208
+     208     208     208     207     207     207     207     207     207     207
+     207     207     207     207     207     207     207     207     207     207
+     207     207     207     207     207     207     207     207     207     207
+     207     207     207     207     207     207     207     207     207     207
+     207     207     207     207     207     207     207     207     207     207
+     207     207     207     207     207     207     207     207     207     207
+     207     207     207     207     207     207     207     207     207     207
+     207     206     206     206     206     206     206     206     206     206
+     206     206     206     206     206     206     206     206     206     206
+     206     206     206     206     206     206     206     206     206     206
+     206     206     206     206     206     206     206     206     206     206
+     206     206     206     206     206     206     206     206     206     206
+     206     206     206     206     206     206     206     206     206     206
+     206     206     206     206     206     206     206     206     206     205
+     205     205     205     205     205     205     205     205     205     205
+     205     205     205     205     205     205     205     205     205     205
+     205     205     205     205     205     205     205     205     205     205
+     205     205     205     205     205     205     205     205     205     205
+     205     205     205     205     205     205     205     205     205     205
+     205     205     205     205     205     205     205     205     205     205
+     205     205     205     205     205     205     205     204     204     204
+     204     204     204     204     204     204     204     204     204     204
+     204     204     204     204     204     204     204     204     204     204
+     204     204     204     204     204     204     204     204     204     204
+     204     204     204     204     204     204     204     204     204     204
+     204     204     204     204     204     204     204     204     204     204
+     204     204     204     204     204     204     204     204     204     204
+     204     204     204     204     204     203     203     203     203     203
+     203     203     203     203     203     203     203     203     203     203
+     203     203     203     203     203     203     203     203     203     203
+     203     203     203     203     203     203     203     203     203     203
+     203     203     203     203     203     203     203     203     203     203
+     203     203     203     203     203     203     203     203     203     203
+     203     203     203     203     203     203     203     203     203     203
+     203     203     203     202     202     202     202     202     202     202
+     202     202     202     202     202     202     202     202     202     202
+     202     202     202     202     202     202     202     202     202     202
+     202     202     202     202     202     202     202     202     202     202
+     203     203     203     203     203     203     203     203     203     203
+     203     203     203     203     203     203     203     203     203     203
+     203     203     203     204     204     204     204     204     204     204
+     204     204     204     204     204     204     204     204     204     204
+     204     204     204     204     204     205     205     205     205     205
+     205     205     205     205     205     205     205     205     205     205
+     205     205     205     205     205     205     205     205     206     206
+     206     206     206     206     206     206     206     206     206     206
+     206     206     206     206     206     206     206     206     206     206
+     206     207     207     207     207     207     207     207     207     207
+     207     207     207     207     207     207     207     207     207     207
+     207     207     207     207     208     208     208     208     208     208
+     208     208     208     208     208     208     208     208     208     208
+     208     208     208     208     208     208     209     209     209     209
+     209     209     209     209     209     209     209     209     209     209
+     209     209     209     209     209     209     209     209     209     210
+     210     210     210     210     210     210     210     210     210     210
+     210     210     210     210     210     210     210     210     210     210
+     210     210     211     211     211     211     211     211     211     211
+     211     211     211     211     211     211     211     211     211     211
+     211     211     211     211     211     212     212     212     212     212
+     212     212     212     212     212     212     212     212     212     212
+     212     212     212     212     212     212     212     213     213     213
+     213     213     213     213     213     213     213     213     213     213
+     213     213     213     213     213     213     213     213     213     213
+     214     214     214     214     214     214     214     214     214     214
+     214     214     214     214     214     214     214     214     214     214
+     214     214     214     215     215     215     215     215     215     215
+     215     215     215     215     215     215     215     215     215     215
+     215     215     215     215     215     215     216     216     216     216
+     216     216     216     216     216     216     216     216     216     216
+     216     216     216     216     216     216     216     216     216     217
+     217     217     217     217     217     217     217     217     217     217
+     217     217     217     217     217     217     217     217     217     217
+     217     218     218     218     218     218     218     218     218     218
+     218     218     218     218     218     218     218     218     218     218
+     218     218     218     218     219     219     219     219     219     219
+     219     219     219     219     219     219     219     219     219     219
+     219     219     219     219     219     219     219     220     220     220
+     220     220     220     220     220     220     220     220     220     220
+     220     220     220     220     220     220     220     220     220     220
+     221     221     221     221     221     221     221     221     221     221
+     221     221     221     221     221     221     221     221     221     221
+     221     221     222     222     222     222     222     222     222     222
+     222     222     222     222     222     222     222     222     222     222
+     222     222     222     222     222     223     223     223     223     223
+     223     223     223     223     223     223     223     223     223     223
+     223     223     223     223     223     223     223     223     224     224
+     224     224     224     224     224     224     224     224     224     224
+     224     224     224     224     224     224     224     224     224     224
+     224     225     225     225     225     225     225     225     225     225
+     225     225     225     225     225     225     225     225     225     225
+     225     225     225     226     226     226     226     226     226     226
+     226     226     226     226     226     226     226     226     226     226
+     226     226     226     226     226     226     227     227     227     227
+     227     227     227     227     227     227     227     227     227     227
+     227     227     227     227     227     227     227     227     227     228
+     228     228     228     228     228     228     228     228     228     228
+     228     228     228     228     228     228     228     228     228     228
+     228     228     229     229     229     229     229     229     229     229
+     229     229     229     229     229     229     229     229     229     229
+     229     229     229     229     230     230     230     230     230     230
+     230     230     230     230     230     230     230     230     230     230
+     230     230     230     230     230     230     230     231     231     231
+     231     231     231     231     231     231     231     231     231     231
+     231     231     231     231     231     231     231     231     231     231
+     232     232     232     232     232     232     232     232     232     232
+     232     232     232     232     232     232     232     232     232     232
+     232     232     232     233     233     233     233     233     233     233
+     233     233     233     233     233     233     233     233     233     233
+     233     233     233     233     233     234     234     234     234     234
+     234     234     234     234     234     234     234     234     234     234
+     234     234     234     234     234     234     234     234     235     235
+     235     235     235     235     235     235     235     235     235     235
+     235     235     235     235     235     235     235     235     235     235
+     235     236     236     236     236     236     236     236     236     236
+     236     236     236     236     236     236     236     236     236     236
+     236     236     236     236     237     237     237     237     237     237
+     237     237     237     237     237     237     237     237     237     237
+     237     237     237     237     237     237     238     238     238     238
+     238     238     238     238     238     238     238     238     238     238
+     238     238     238     238     238     238     238     238     238     239
+     239     239     239     239     239     239     239     239     239     239
+     239     239     239     239     239     239     239     239     239     239
+     239     239     240     240     240     240     240     240     240     240
+     240     240     240     240     240     240     240     240     240     240
+     240     240     240     240     240     241     241     241     241     241
+     241     241     241     241     241     241     241     241     241     241
+     241     241     241     241     241     241     241     242     242     242
+     242     242     242     242     242     242     242     242     242     242
+     242     242     242     242     242     242     242     242     242     242
+     243     243     243     243     243     243     243     243     243     243
+     243     243     243     243     243     243     243     243     243     243
+     243     243     243     244     244     244     244     244     244     244
+     244     244     244     244     244     244     244     244     244     244
+     244     244     244     244     244     244     245     245     245     245
+     245     245     245     245     245     245     245     245     245     245
+     245     245     245     245     245     245     245     245     245     246
+     246     246     246     246     246     246     246     246     246     246
+     246     246     246     246     246     246     246     246     246     246
+     246     246     246     246     246     246     246     245     245     245
+     245     245     245     245     245     245     245     245     245     245
+     245     245     245     245     245     245     245     245     245     245
+     245     245     245     245     245     245     245     245     244     244
+     244     244     244     244     244     244     244     244     244     244
+     244     244     244     244     244     244     244     244     244     244
+     244     244     244     244     244     244     244     244     244     243
+     243     243     243     243     243     243     243     243     243     243
+     243     243     243     243     243     243     243     243     243     243
+     243     243     243     243     243     243     243     243     243     243
+     242     242     242     242     242     242     242     242     242     242
+     242     242     242     242     242     242     242     242     242     242
+     242     242     242     242     242     242     242     242     242     242
+     242     241     241     241     241     241     241     241     241     241
+     241     241     241     241     241     241     241     241     241     241
+     241     241     241     241     241     241     241     241     241     241
+     241     241     240     240     240     240     240     240     240     240
+     240     240     240     240     240     240     240     240     240     240
+     240     240     240     240     240     240     240     240     240     240
+     240     240     240     239     239     239     239     239     239     239
+     239     239     239     239     239     239     239     239     239     239
+     239     239     239     239     239     239     239     239     239     239
+     239     239     239     239     238     238     238     238     238     238
+     238     238     238     238     238     238     238     238     238     238
+     238     238     238     238     238     238     238     238     238     238
+     238     238     238     238     238     237     237     237     237     237
+     237     237     237     237     237     237     237     237     237     237
+     237     237     237     237     237     237     237     237     237     237
+     237     237     237     237     237     237     236     236     236     236
+     236     236     236     236     236     236     236     236     236     236
+     236     236     236     236     236     236     236     236     236     236
+     236     236     236     236     236     236     236     235     235     235
+     235     235     235     235     235     235     235     235     235     235
+     235     235     235     235     235     235     235     235     235     235
+     235     235     235     235     235     235     235     235     234     234
+     234     234     234     234     234     234     234     234     234     234
+     234     234     234     234     234     234     234     234     234     234
+     234     234     234     234     234     234     234     234     234     233
+     233     233     233     233     233     233     233     233     233     233
+     233     233     233     233     233     233     233     233     233     233
+     233     233     233     233     233     233     233     233     233     233
+     232     232     232     232     232     232     232     232     232     232
+     232     232     232     232     232     232     232     232     232     232
+     232     232     232     232     232     232     232     232     232     232
+     232     231     231     231     231     231     231     231     231     231
+     231     231     231     231     231     231     231     231     231     231
+     231     231     231     231     231     231     231     231     231     231
+     231     231     230     230     230     230     230     230     230     230
+     230     230     230     230     230     230     230     230     230     230
+     230     230     230     230     230     230     230     230     230     230
+     230     230     230     229     229     229     229     229     229     229
+     229     229     229     229     229     229     229     229     229     229
+     229     229     229     229     229     229     229     229     229     229
+     229     229     229     229     228     228     228     228     228     228
+     228     228     228     228     228     228     228     228     228     228
+     228     228     228     228     228     228     228     228     228     228
+     228     228     228     228     228     227     227     227     227     227
+     227     227     227     227     227     227     227     227     227     227
+     227     227     227     227     227     227     227     227     227     227
+     227     227     227     227     227     227     226     226     226     226
+     226     226     226     226     226     226     226     226     226     226
+     226     226     226     226     226     226     226     226     226     226
+     226     226     226     226     226     226     226     225     225     225
+     225     225     225     225     225     225     225     225     225     225
+     225     225     225     225     225     225     225     225     225     225
+     225     225     225     225     225     225     225     225     225     225
+     225     225     225     225     225     225     225     225     225     225
+     225     225     225     225     225     225     225     225     225     225
+     225     225     225     225     225     225     225     225     225     225
+     225     225     225     225     225     225     225     225     225     225
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.out b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.out
index 3fff538b0..33f81e6e1 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.out
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.out
@@ -1,17 +1,17 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 06/06/2026  Time: 22:35:37.957                              
+    Date: 09/06/2026  Time: 12:49:24.047                              
 
  => PCR file code: pbso4
- => DAT file code: pbso4.dat            -> Relative contribution: 1.0000                                                            
+ => DAT file code: pbso4                -> Relative contribution: 1.0000                                                            
 
  ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
 
@@ -38,6 +38,7 @@
  ==> INPUT/OUTPUT OPTIONS:
 
  => Output Obs and Calc intensities on last cycle
+ => Generate bacground file *.bac
  => Generate file *.PRF for plot
  => Output Integrated Intensities
  => Generate new input file *.PCR
@@ -54,19 +55,19 @@
  => Number of cycles:  500
  => Relaxation factors ==>    for coordinates:  0.20
  => for anisotropic temperature factors:  0.20
- => for halfwidth/strain/size parameters:  0.20
+ => for halfwidth/strain/size/further parameters:  0.20
  => for lattice constants and propagation vectors:  0.20
  => EPS-value for convergence:    0.1
  => Background ==> 
     Position   Intensity
-       11.00      210.06      261.00
-       15.00      196.60      271.00
-       20.00      196.31      281.00
-       30.00      189.61      291.00
-       50.00      207.99      301.00
-       70.00      202.08      311.00
-      120.00      246.02      321.00
-      153.00      224.82      331.00
+       11.00      210.06        0.00
+       15.00      196.60        0.00
+       20.00      196.31        0.00
+       30.00      189.61        0.00
+       50.00      207.98        0.00
+       70.00      202.09        0.00
+      120.00      246.03        0.00
+      153.00      224.74        0.00
 
  
 
@@ -75,13 +76,13 @@
       0.0000     10.0000
     155.4500    180.0000
 
- => Number of Least-Squares parameters varied:    33
+ => Number of Least-Squares parameters varied:     0
 
  =>--------------------------->
  =>------->  PATTERN number:  1
  =>--------------------------->
  => Global parameters and codes ==>
- => Zero-point:    -0.1435   81.0000
+ => Zero-point:    -0.1436    0.0000
  => Perpendicular Displacement parameter and code:     0.00    0.00
  => Parallel      Displacement parameter and code:     0.00    0.00
 
@@ -98,7 +99,7 @@
      2Thmin:      10.000000  2Thmax:     155.449997  Step:       0.050000  No. of points:   2910
  --------------------------------------------------------------------------------
  => Phase  No. 1
-       PbSO4                       VARY xyz b          BKG blue             
+      PbSO4                                                                 
  --------------------------------------------------------------------------------
  =>-------> Pattern#  1
  => Crystal Structure Refinement
@@ -171,21 +172,21 @@
  => Initial parameters ==>
  Atom    Ntyp                  X         Y         Z         B         occ.         in  fin  Spc  Mult
                              B11       B22       B33       B12       B13       B23
- Pb     PB                 0.18754   0.25000   0.16709   1.37920   0.50000           0    0    1    4
-                 Codes:  171.00000   0.00000 181.00000  41.00000   0.00000
- S      S                  0.06532   0.25000   0.68401   0.36000   0.50000           0    0    2    4
-                 Codes:  191.00000   0.00000 201.00000  51.00000   0.00000
- O1     O                  0.90822   0.25000   0.59542   2.03540   0.50000           0    0    3    4
-                 Codes:  211.00000   0.00000 221.00000  61.00000   0.00000
- O2     O                  0.19390   0.25000   0.54359   1.50300   0.50000           0    0    3    4
-                 Codes:  231.00000   0.00000 241.00000  71.00000   0.00000
- O3     O                  0.08114   0.02713   0.80863   1.34201   1.00000           0    0    3    8
-                 Codes:  251.00000 161.00000  31.00000  21.00000   0.00000
-
- => IT IS ASSUMED THAT THE FIRST GIVEN SITE IS FULLY OCCUPIED 
-    OR THE FIRST AND SECOND ATOMS ARE IN THE SAME SITE WITH TOTAL FULL OCCUPATION
+ Pb     PB                 0.18754   0.25000   0.16709   1.38058   0.50000           0    0    1    4
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ S      S                  0.06532   0.25000   0.68401   0.36192   0.50000           0    0    2    4
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ O1     O                  0.90822   0.25000   0.59542   2.03661   0.50000           0    0    3    4
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ O2     O                  0.19390   0.25000   0.54359   1.50417   0.50000           0    0    3    4
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ O3     O                  0.08114   0.02713   0.80863   1.34347   1.00000           0    0    3    8
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+
+ => It is assumed that THE FIRST GIVEN SITE plus all the other atoms 
+    occupying THE SAME POSITION have a total full occupation (no vacancies!)
   (if this is not the case, change the order of atoms to obtain correct values for the content of the unit cell)
-    The given occupation factors have been obtained mutiplying m/M by   1.0000
+    The given occupation factors have been obtained mutiplying m/M by   0.5000
       -> Atom: PB  ,  Chemical element: PB  Atomic Mass:   207.2000
       -> Atom: S   ,  Chemical element: S   Atomic Mass:    32.0600
       -> Atom: O   ,  Chemical element: O   Atomic Mass:    15.9994
@@ -201,10 +202,10 @@
 
  =>-------> PROFILE PARAMETERS FOR PATTERN:  1
 
- => Overall scale factor:    1.46726    
+ => Overall scale factor:    1.46790    
  => ETA (p-Voigt) OR M (Pearson VII):   0.0000
  => Overall temperature factor:      0.00000
- => Halfwidth U,V,W:      0.13954    -0.41404     0.38829
+ => Halfwidth U,V,W:      0.13949    -0.41407     0.38820
  => X and Y parameters:       0.0000      0.0864
  => Direct cell parameters:    8.4780   5.3965   6.9577  90.0000  90.0000  90.0000
  => Preferred orientation parameters:   0.0000  0.0000
@@ -217,12 +218,12 @@
 
  ==> CODEWORDS FOR PROFILE PARAMETERS of PATTERN#  1
 
- => Overall scale factor:   11.000
+ => Overall scale factor:    0.000
  => ETA (p-Voigt) OR M (Pearson VII):    0.000
  => Overall temperature factor:    0.000
- => Halfwidth U,V,W:  121.000 131.000 141.000
- => X and Y parameters:    0.000 151.000
- => Direct cell parameters:   91.000 101.000 111.000   0.000   0.000   0.000
+ => Halfwidth U,V,W:    0.000   0.000   0.000
+ => X and Y parameters:    0.000   0.000
+ => Direct cell parameters:    0.000   0.000   0.000   0.000   0.000   0.000
  => Preferred orientation parameters:    0.000   0.000
  => Asymmetry parameters     :    0.000   0.000   0.000   0.000
  => Strain parameters        :    0.000   0.000   0.000
@@ -237,13 +238,13 @@
 
          a =       8.4780      b =       5.3965      c =       6.9577
      alpha =       90.000   beta =       90.000  gamma =       90.000
-                        Direct Cell Volume =     318.3249
+                        Direct Cell Volume =     318.3247
 
  => Reciprocal cell parameters:
 
          a*=     0.117952      b*=     0.185306      c*=     0.143725
      alpha*=       90.000   beta*=       90.000  gamma*=       90.000
-                    Reciprocal Cell Volume =   0.00314144
+                    Reciprocal Cell Volume =   0.00314145
 
  => Direct and Reciprocal Metric Tensors:
 
@@ -278,44 +279,6 @@
  PB     0.9405
  S      0.2847
  O      0.5803
-
-     --------------------------------------------------------------
-      SYMBOLIC NAMES AND INITIAL VALUES OF PARAMETERS TO BE VARIED:
-     --------------------------------------------------------------
-
-      ->  Parameter number    1   -> Symbolic Name:                                     Scale_ph1_pat1     1.4672559    
-      ->  Parameter number    2   -> Symbolic Name:                                        Biso_O3_ph1     1.3420100    
-      ->  Parameter number    3   -> Symbolic Name:                                           Z_O3_ph1    0.80862999    
-      ->  Parameter number    4   -> Symbolic Name:                                        Biso_Pb_ph1     1.3792000    
-      ->  Parameter number    5   -> Symbolic Name:                                         Biso_S_ph1    0.36000001    
-      ->  Parameter number    6   -> Symbolic Name:                                        Biso_O1_ph1     2.0353999    
-      ->  Parameter number    7   -> Symbolic Name:                                        Biso_O2_ph1     1.5030000    
-      ->  Parameter number    8   -> Symbolic Name:                                          Zero_pat1   -0.14353999    
-      ->  Parameter number    9   -> Symbolic Name:                                    Cell_A_ph1_pat1     8.4779949    
-      ->  Parameter number   10   -> Symbolic Name:                                    Cell_B_ph1_pat1     5.3964829    
-      ->  Parameter number   11   -> Symbolic Name:                                    Cell_C_ph1_pat1     6.9577150    
-      ->  Parameter number   12   -> Symbolic Name:                                    U-Cagl_ph1_pat1    0.13954000    
-      ->  Parameter number   13   -> Symbolic Name:                                    V-Cagl_ph1_pat1   -0.41404000    
-      ->  Parameter number   14   -> Symbolic Name:                                    W-Cagl_ph1_pat1    0.38828999    
-      ->  Parameter number   15   -> Symbolic Name:                                     Y-cos_ph1_pat1    0.86393997E-01
-      ->  Parameter number   16   -> Symbolic Name:                                           Y_O3_ph1    0.27130000E-01
-      ->  Parameter number   17   -> Symbolic Name:                                           X_Pb_ph1    0.18753999    
-      ->  Parameter number   18   -> Symbolic Name:                                           Z_Pb_ph1    0.16709000    
-      ->  Parameter number   19   -> Symbolic Name:                                            X_S_ph1    0.65320000E-01
-      ->  Parameter number   20   -> Symbolic Name:                                            Z_S_ph1    0.68401003    
-      ->  Parameter number   21   -> Symbolic Name:                                           X_O1_ph1    0.90821999    
-      ->  Parameter number   22   -> Symbolic Name:                                           Z_O1_ph1    0.59542000    
-      ->  Parameter number   23   -> Symbolic Name:                                           X_O2_ph1    0.19390000    
-      ->  Parameter number   24   -> Symbolic Name:                                           Z_O2_ph1    0.54359001    
-      ->  Parameter number   25   -> Symbolic Name:                                           X_O3_ph1    0.81139997E-01
-      ->  Parameter number   26   -> Symbolic Name:                                         Bck_0_pat1     210.05980    
-      ->  Parameter number   27   -> Symbolic Name:                                         Bck_1_pat1     196.59711    
-      ->  Parameter number   28   -> Symbolic Name:                                         Bck_2_pat1     196.31281    
-      ->  Parameter number   29   -> Symbolic Name:                                         Bck_3_pat1     189.61490    
-      ->  Parameter number   30   -> Symbolic Name:                                         Bck_4_pat1     207.98520    
-      ->  Parameter number   31   -> Symbolic Name:                                         Bck_5_pat1     202.07660    
-      ->  Parameter number   32   -> Symbolic Name:                                         Bck_6_pat1     246.01840    
-      ->  Parameter number   33   -> Symbolic Name:                                         Bck_7_pat1     224.81520    
   
  
  => Optimizations for routine tasks applied:
@@ -323,42 +286,42 @@
  
 
 
-   Standard deviations have to be multiplied by: 2.8394
+   Standard deviations have to be multiplied by: 2.8388
    (correlated residuals) See references:
   -J.F.Berar & P.Lelann, J. Appl. Cryst. 24, 1-5 (1991) 
   -J.F.Berar, Acc. in Pow. Diff. II,NIST Sp.Pub. 846, 63(1992) 
 
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
- => CYCLE No.:    6
+ => CYCLE No.:    1
  =>  Convergence reached at this CYCLE !!!!
  =>  Parameter shifts set to zero
- ---------------------------------------------------------------------------------------
- => Phase  1 Name:  PbSO4                       VARY xyz b          BKG blue             
- ---------------------------------------------------------------------------------------
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: PbSO4
+ ------------------------------------------------------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
 
- Pb       0.18754 0.00000 0.00010  0.25000 0.00000 0.00000  0.16709 0.00000 0.00016  1.38041 0.00000 0.02603  0.50000 0.00000 0.00000
- S        0.06532 0.00000 0.00032  0.25000 0.00000 0.00000  0.68401 0.00000 0.00042  0.36153 0.00000 0.04684  0.50000 0.00000 0.00000
- O1       0.90822 0.00000 0.00022  0.25000 0.00000 0.00000  0.59542 0.00000 0.00022  2.03647 0.00000 0.03772  0.50000 0.00000 0.00000
- O2       0.19390 0.00000 0.00021  0.25000 0.00000 0.00000  0.54359 0.00000 0.00026  1.50403 0.00000 0.03545  0.50000 0.00000 0.00000
- O3       0.08114 0.00000 0.00013  0.02713 0.00000 0.00018  0.80863 0.00000 0.00016  1.34335 0.00000 0.02593  1.00000 0.00000 0.00000
+ Pb       0.18754 0.00000 0.00000  0.25000 0.00000 0.00000  0.16709 0.00000 0.00000  1.38058 0.00000 0.00000  0.50000 0.00000 0.00000
+ S        0.06532 0.00000 0.00000  0.25000 0.00000 0.00000  0.68401 0.00000 0.00000  0.36192 0.00000 0.00000  0.50000 0.00000 0.00000
+ O1       0.90822 0.00000 0.00000  0.25000 0.00000 0.00000  0.59542 0.00000 0.00000  2.03661 0.00000 0.00000  0.50000 0.00000 0.00000
+ O2       0.19390 0.00000 0.00000  0.25000 0.00000 0.00000  0.54359 0.00000 0.00000  1.50417 0.00000 0.00000  0.50000 0.00000 0.00000
+ O3       0.08114 0.00000 0.00000  0.02713 0.00000 0.00000  0.80863 0.00000 0.00000  1.34347 0.00000 0.00000  1.00000 0.00000 0.00000
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
- => Overall scale factor:      1.467791200     0.000000000     0.005736221
+ => Overall scale factor:      1.467900038     0.000000000     0.000000000
  => Eta(p-Voigt) or m(Pearson VII):   0.000000  0.000000  0.000000
  => Overall tem. factor:     0.000000    0.000000    0.000000
  => Halfwidth parameters: 
-         0.139504    0.000000    0.003249
-        -0.414070    0.000000    0.007258
-         0.388228    0.000000    0.004487
+         0.139488    0.000000    0.000000
+        -0.414074    0.000000    0.000000
+         0.388200    0.000000    0.000000
  => Cell parameters: 
-        8.477994    0.000000    0.000050
-        5.396484    0.000000    0.000033
-        6.957715    0.000000    0.000046
+        8.477992    0.000000    0.000000
+        5.396482    0.000000    0.000000
+        6.957715    0.000000    0.000000
        90.000000    0.000000    0.000000
        90.000000    0.000000    0.000000
        90.000000    0.000000    0.000000
@@ -372,7 +335,7 @@
          0.000000    0.000000    0.000000
  => X and Y parameters: 
          0.000000    0.000000    0.000000
-         0.086387    0.000000    0.002276
+         0.086383    0.000000    0.000000
  => Strain parameters: 
          0.000000    0.000000    0.000000
          0.000000    0.000000    0.000000
@@ -387,325 +350,283 @@
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:    -0.1436    0.0000    0.0010
- => Background Parameters (linear interpolation)  ==>
-         210.060        0.00000        4.07474    
-         196.597        0.00000        2.94261    
-         196.313        0.00000        1.88602    
-         189.613        0.00000        1.29473    
-         207.980        0.00000        1.26351    
-         202.087        0.00000       0.676857    
-         246.028        0.00000        1.28011    
-         224.762        0.00000        1.96222    
+ => Zero-point:    -0.1436    0.0000    0.0000
 
  => Cos(2theta)-shift parameter :   0.0000  0.0000  0.0000
  => Sin(2theta)-shift parameter :   0.0000  0.0000  0.0000
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
- => R-Factors:   3.46      4.24     Chi2:  4.77     DW-Stat.:  0.3065   Patt#:  1
- => Expected :            1.94                                1.9077
- => Deviance : 0.232E+04     Dev*:  0.8078    
+ => R-Factors:   3.47      4.24     Chi2:  4.72     DW-Stat.:  0.3065   Patt#:  1
+ => Expected :            1.95                                1.8848
+ => Deviance : 0.233E+04     Dev*:  0.7989    
  => GoF-index:  2.2         Sqrt(Residual/N)
- => N-P+C:  2876
+ => N-P+C:  2909
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.3789E+05    0.1093E+07    0.1091E+07    0.7642E+07    0.1372E+05    0.1898E+16
+     0.3789E+05    0.1093E+07    0.1091E+07    0.7642E+07    0.1372E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   8.18      7.90      3.62      4.771    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   8.18      7.90      3.64      4.717    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.4630E+06    0.2198E+07
 
- => N-sigma of the GoF:      142.996
+ => N-sigma of the GoF:      141.756
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => R-Factors:   3.46      4.24     Chi2:  4.77     DW-Stat.:  0.3065   Patt#:
- => Expected :            1.94                                1.9077
- => Deviance : 0.232E+04     Dev*:  0.8078    
+ => R-Factors:   3.47      4.24     Chi2:  4.72     DW-Stat.:  0.3065   Patt#:
+ => Expected :            1.95                                1.8848
+ => Deviance : 0.233E+04     Dev*:  0.7989    
  => GoF-index:  2.2         Sqrt(Residual/N)
- => N-P+C:  2876
+ => N-P+C:  2909
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.3789E+05    0.1093E+07    0.1091E+07    0.7642E+07    0.1372E+05    0.1898E+16
+     0.3789E+05    0.1093E+07    0.1091E+07    0.7642E+07    0.1372E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   8.18      7.90      3.62      4.771    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   8.18      7.90      3.64      4.717    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.4630E+06    0.2198E+07
 
- => N-sigma of the GoF:      142.996
+ => N-sigma of the GoF:      141.756
 
- => Global user-weigthed Chi2 (Bragg contrib.):   4.77    
+ => Global user-weigthed Chi2 (Bragg contrib.):   4.72    
 
- --------------------------------------------------------------------------------------------------------------
- Pattern#  1 Phase No.:   1 Phase name:  PbSO4                       V
- --------------------------------------------------------------------------------------------------------------
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
+ Pattern#  1 Phase No.:   1 Phase name: PbSO4
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
 
    No.  Code     H   K   L  Mult     Hw         2theta      Icalc       Iobs      Sigma      HwG     HwL       ETA       d-hkl        CORR
 
-      1   1      1   0   1     4  0.611142      20.477       35.0       35.0      5.494  0.563912  0.087786  0.186703  5.378385     64.326416
-      2   1      0   1   1     4  0.595781      25.911       11.9       15.0      1.619  0.548055  0.088644  0.193049  4.264199     40.830738
-      3   1      2   0   0     2  0.595337      26.068        2.1        2.6      0.344  0.547595  0.088672  0.193244  4.238997     20.181143
-      4   1      1   1   1     8  0.586835      29.068       35.5       41.3      1.913  0.538764  0.089244  0.197095  3.809475     65.614441
-      5   1      2   0   1     4  0.582414      30.625       79.5       82.6      1.811  0.534155  0.089567  0.199196  3.620052     29.733202
-      6   1      0   0   2     2  0.578787      31.901      209.6      219.2      2.265  0.530367  0.089847  0.200970  3.478857     13.772346
-      7   1      2   1   0     4  0.574713      33.331      450.8      458.4      2.835  0.526103  0.090176  0.203019  3.333530     25.383968
-      8   1      1   0   2     4  0.571207      34.560      104.4      100.8      1.609  0.522426  0.090471  0.204831  3.218436     23.738964
-      9   1      2   1   1     8  0.563984      37.084      681.4      672.7      3.113  0.514829  0.091118  0.208710  3.006294     41.721245
-     10   1      1   1   2     8  0.554251      40.468      676.3      653.7      2.809  0.504545  0.092070  0.214260  2.764173     35.640034
-     11   1      0   2   0     2  0.551266      41.502      299.9      270.2      1.597  0.501378  0.092380  0.216040  2.698242      8.518710
-     12   1      2   0   2     4  0.550843      41.648      106.3       93.1      0.672  0.500930  0.092425  0.216295  2.689192     16.931532
-     13   1      3   0   1     4  0.547417      42.831        3.7        1.8      0.337  0.497290  0.092794  0.218390  2.618268     16.114338
-     14   1      1   2   1     8  0.536134      46.706      424.2      410.9      1.951  0.485248  0.094096  0.225652  2.411756     27.728693
-     15   1      2   1   2     8  0.535842      46.805      129.6      122.6      0.599  0.484935  0.094131  0.225847  2.406899     27.627548
-     16   1      3   1   1     8  0.532674      47.887      143.2      140.0      1.403  0.481539  0.094522  0.227994  2.355648     26.573198
-     17   1      2   2   0     4  0.527437      49.668      398.2      392.7      1.878  0.475910  0.095190  0.231647  2.276233     12.493602
-     18   1      1   0   3     4  0.524691      50.599      265.1      269.9      1.491  0.472952  0.095553  0.233616  2.237044     12.113043
-     19   1      3   0   2     4  0.521502      51.677      567.9      600.4      1.990  0.469509  0.095984  0.235949  2.193474     11.698350
-     20   1      2   2   1     8  0.519211      52.450      949.4      963.7      2.463  0.467032  0.096300  0.237657  2.163402     22.834642
-     21   1      0   2   2     4  0.516744      53.280      154.0      158.9      0.710  0.464361  0.096648  0.239526  2.132100     11.129327
-     22   1      0   1   3     4  0.516639      53.315      139.4      143.5      0.643  0.464247  0.096663  0.239606  2.130792     11.117397
-     23   1      4   0   0     2  0.515727      53.622       76.0       75.0      0.544  0.463257  0.096793  0.240307  2.119499      5.507354
-     24   1      1   2   2     8  0.511387      55.077      602.2      614.3      1.341  0.458543  0.097426  0.243696  2.067715     21.103241
-     25   1      1   1   3     8  0.511284      55.112      686.0      697.7      1.508  0.458431  0.097441  0.243778  2.066522     21.082209
-     26   1      2   0   3     4  0.508472      56.051      109.7      110.8      0.294  0.455370  0.097863  0.246030  2.034623     10.262437
-     27   1      3   1   2     8  0.508239      56.129      426.2      430.0      1.043  0.455116  0.097899  0.246219  2.032029     20.479979
-     28   1      4   0   1     4  0.507831      56.265      565.8      565.4      1.450  0.454671  0.097961  0.246550  2.027512     10.200986
-     29   1      4   1   0     4  0.502704      57.971      397.1      429.0      1.926  0.449071  0.098758  0.250788  1.972795      9.736408
-     30   1      2   2   2     8  0.495816      60.252       38.3       44.8      0.596  0.441514  0.099879  0.256723  1.904738     18.358515
-     31   1      2   1   3     8  0.495717      60.285       17.3       20.1      0.253  0.441406  0.099896  0.256811  1.903805     18.343573
-     32   1      4   1   1     8  0.495097      60.489       29.4       33.6      0.532  0.440724  0.100000  0.257359  1.897975     18.250347
-     33   1      3   2   1     8  0.493051      61.164        1.5        1.9      0.186  0.438470  0.100346  0.259186  1.879032     17.949793
-     34   1      4   0   2     4  0.485134      63.764       19.3       17.2      0.586  0.429720  0.101736  0.266505  1.810026      8.443156
-     35   1      3   0   3     4  0.483036      64.450      243.1      249.3      1.632  0.427391  0.102118  0.268513  1.792795      8.314294
-     36   1      0   3   1     4  0.476483      66.587       53.0       52.6      0.760  0.420092  0.103351  0.274981  1.741565      7.940653
-     37   1      0   0   4     2  0.476199      66.680       19.8       19.7      0.264  0.419775  0.103406  0.275268  1.739429      3.962693
-     38   1      1   2   3     8  0.473868      67.438      156.2      152.8      1.016  0.417168  0.103860  0.277648  1.722146     15.605629
-     39   1      4   1   2     8  0.473033      67.709       70.9       72.2      0.563  0.416234  0.104025  0.278509  1.716070     15.520242
-     40   1      1   3   1     8  0.471626      68.166        0.0        0.0      0.000  0.414656  0.104305  0.279973  1.705943     15.378864
-     41   1      1   0   4     4  0.471345      68.257        0.2        0.2      0.002  0.414340  0.104361  0.280267  1.703935      7.675486
-     42   1      3   2   2     8  0.471077      68.344        0.0        0.0      0.000  0.414040  0.104415  0.280548  1.702030     15.324549
-     43   1      3   1   3     8  0.470983      68.375       79.8       73.2      1.028  0.413934  0.104433  0.280647  1.701364     15.315331
-     44   1      4   2   0     4  0.465973      69.999        5.4        5.8      0.495  0.408298  0.105459  0.286006  1.666765      7.421550
-     45   1      2   3   0     4  0.464345      70.526       10.5       11.3      0.684  0.406460  0.105801  0.287791  1.655903      7.348883
-     46   1      5   0   1     4  0.463048      70.945        0.2        0.3      0.037  0.404995  0.106076  0.289228  1.647385      7.292402
-     47   1      1   1   4     8  0.459535      72.081        0.8        1.0      0.052  0.401014  0.106836  0.293190  1.624862     14.290355
-     48   1      2   2   3     8  0.459482      72.098        4.9        5.8      0.285  0.400955  0.106848  0.293250  1.624531     14.286075
-     49   1      4   2   1     8  0.458904      72.285        9.5       10.6      0.359  0.400298  0.106975  0.293911  1.620904     14.239269
-     50   1      2   3   1     8  0.457294      72.805       63.6       61.4      1.006  0.398468  0.107332  0.295770  1.610909     14.111116
-     51   1      2   0   4     4  0.457019      72.894        0.0        0.0      0.000  0.398156  0.107393  0.296090  1.609218      7.044783
-     52   1      5   1   1     8  0.451398      74.710        0.2        0.2      0.003  0.391737  0.108679  0.302777  1.575605     13.668817
-     53   1      1   3   2     8  0.450467      75.010      462.0      449.0      1.706  0.390671  0.108897  0.303911  1.570215     13.602732
-     54   1      4   0   3     4  0.449484      75.328      228.0      240.4      1.082  0.389544  0.109130  0.305119  1.564569      6.766972
-     55   1      2   1   4     8  0.445484      76.622        9.7       10.3      0.481  0.384940  0.110096  0.310130  1.542114     13.264670
-     56   1      5   0   2     4  0.442185      77.690       59.6       58.0      1.001  0.381127  0.110918  0.314385  1.524193      6.527451
-     57   1      4   2   2     8  0.438186      78.988       36.4       33.3      0.522  0.376481  0.111946  0.319696  1.503147     12.814581
-     58   1      4   1   3     8  0.438098      79.017       12.6       11.5      0.169  0.376378  0.111969  0.319816  1.502689     12.809420
-     59   1      2   3   2     8  0.436634      79.493        0.0        0.0      0.000  0.374671  0.112355  0.321806  1.495165     12.725197
-     60   1      3   2   3     8  0.436255      79.617      386.0      373.7      1.618  0.374229  0.112456  0.322325  1.493235     12.703728
+      1   1      1   0   1     4  0.611105      20.477       35.0       35.0      5.494  0.563878  0.087781  0.186704  5.378385     64.326416
+      2   1      0   1   1     4  0.595742      25.911       11.9       15.0      1.618  0.548019  0.088639  0.193051  4.264198     40.830727
+      3   1      2   0   0     2  0.595299      26.068        2.1        2.6      0.344  0.547559  0.088667  0.193245  4.238997     20.181131
+      4   1      1   1   1     8  0.586796      29.068       35.5       41.3      1.913  0.538727  0.089239  0.197098  3.809474     65.614418
+      5   1      2   0   1     4  0.582374      30.625       79.5       82.6      1.811  0.534118  0.089563  0.199198  3.620051     29.733200
+      6   1      0   0   2     2  0.578747      31.901      209.6      219.2      2.265  0.530329  0.089842  0.200972  3.478858     13.772349
+      7   1      2   1   0     4  0.574672      33.331      450.9      458.4      2.835  0.526065  0.090171  0.203022  3.333529     25.383963
+      8   1      1   0   2     4  0.571166      34.560      104.4      100.8      1.609  0.522387  0.090466  0.204834  3.218436     23.738964
+      9   1      2   1   1     8  0.563941      37.084      681.4      672.7      3.113  0.514789  0.091113  0.208714  3.006294     41.721226
+     10   1      1   1   2     8  0.554207      40.468      676.3      653.7      2.809  0.504503  0.092064  0.214265  2.764172     35.640034
+     11   1      0   2   0     2  0.551221      41.502      300.0      270.2      1.597  0.501336  0.092375  0.216045  2.698241      8.518709
+     12   1      2   0   2     4  0.550798      41.648      106.3       93.1      0.672  0.500888  0.092420  0.216300  2.689192     16.931532
+     13   1      3   0   1     4  0.547372      42.831        3.7        1.8      0.337  0.497247  0.092789  0.218395  2.618268     16.114332
+     14   1      1   2   1     8  0.536087      46.706      424.3      410.9      1.951  0.485203  0.094091  0.225659  2.411755     27.728693
+     15   1      2   1   2     8  0.535794      46.805      129.6      122.6      0.599  0.484890  0.094126  0.225854  2.406899     27.627548
+     16   1      3   1   1     8  0.532626      47.887      143.2      140.0      1.403  0.481494  0.094516  0.228001  2.355647     26.573181
+     17   1      2   2   0     4  0.527388      49.668      398.2      392.7      1.878  0.475864  0.095185  0.231656  2.276232     12.493596
+     18   1      1   0   3     4  0.524641      50.599      265.2      269.9      1.491  0.472905  0.095547  0.233625  2.237044     12.113046
+     19   1      3   0   2     4  0.521451      51.677      568.0      600.4      1.990  0.469461  0.095978  0.235959  2.193474     11.698345
+     20   1      2   2   1     8  0.519160      52.450      949.5      963.6      2.463  0.466984  0.096295  0.237667  2.163402     22.834639
+     21   1      0   2   2     4  0.516693      53.280      154.0      158.9      0.710  0.464312  0.096642  0.239536  2.132099     11.129325
+     22   1      0   1   3     4  0.516588      53.315      139.5      143.5      0.643  0.464198  0.096657  0.239616  2.130792     11.117400
+     23   1      4   0   0     2  0.515675      53.622       76.0       75.0      0.544  0.463208  0.096788  0.240317  2.119498      5.507351
+     24   1      1   2   2     8  0.511334      55.077      602.2      614.3      1.341  0.458494  0.097421  0.243707  2.067715     21.103239
+     25   1      1   1   3     8  0.511231      55.112      686.0      697.6      1.508  0.458381  0.097436  0.243789  2.066522     21.082212
+     26   1      2   0   3     4  0.508419      56.051      109.7      110.8      0.294  0.455320  0.097858  0.246041  2.034623     10.262437
+     27   1      3   1   2     8  0.508186      56.129      426.2      430.0      1.043  0.455065  0.097893  0.246230  2.032028     20.479971
+     28   1      4   0   1     4  0.507777      56.265      565.8      565.4      1.450  0.454620  0.097956  0.246561  2.027512     10.200981
+     29   1      4   1   0     4  0.502650      57.971      397.1      429.0      1.926  0.449019  0.098753  0.250800  1.972794      9.736405
+     30   1      2   2   2     8  0.495759      60.252       38.3       44.8      0.596  0.441461  0.099874  0.256738  1.904737     18.358511
+     31   1      2   1   3     8  0.495660      60.285       17.3       20.1      0.253  0.441352  0.099890  0.256825  1.903805     18.343573
+     32   1      4   1   1     8  0.495040      60.489       29.4       33.6      0.532  0.440670  0.099994  0.257373  1.897975     18.250340
+     33   1      3   2   1     8  0.492993      61.164        1.5        1.9      0.186  0.438416  0.100340  0.259201  1.879032     17.949785
+     34   1      4   0   2     4  0.485075      63.764       19.3       17.2      0.586  0.429663  0.101730  0.266522  1.810026      8.443156
+     35   1      3   0   3     4  0.482976      64.450      243.1      249.2      1.632  0.427334  0.102112  0.268531  1.792795      8.314294
+     36   1      0   3   1     4  0.476421      66.588       53.0       52.6      0.760  0.420033  0.103345  0.275001  1.741564      7.940649
+     37   1      0   0   4     2  0.476137      66.680       19.8       19.7      0.264  0.419716  0.103400  0.275288  1.739429      3.962694
+     38   1      1   2   3     8  0.473804      67.438      156.2      152.7      1.016  0.417107  0.103855  0.277668  1.722146     15.605629
+     39   1      4   1   2     8  0.472970      67.709       70.9       72.2      0.563  0.416173  0.104019  0.278529  1.716070     15.520238
+     40   1      1   3   1     8  0.471562      68.166        0.0        0.0      0.000  0.414595  0.104299  0.279994  1.705943     15.378855
+     41   1      1   0   4     4  0.471281      68.257        0.2        0.2      0.002  0.414279  0.104355  0.280288  1.703935      7.675487
+     42   1      3   2   2     8  0.471012      68.344        0.0        0.0      0.000  0.413978  0.104409  0.280570  1.702030     15.324547
+     43   1      3   1   3     8  0.470919      68.375       79.8       73.2      1.028  0.413873  0.104428  0.280668  1.701364     15.315331
+     44   1      4   2   0     4  0.465907      69.999        5.4        5.8      0.495  0.408235  0.105453  0.286029  1.666765      7.421549
+     45   1      2   3   0     4  0.464278      70.526       10.5       11.3      0.684  0.406396  0.105795  0.287815  1.655902      7.348880
+     46   1      5   0   1     4  0.462981      70.945        0.2        0.3      0.037  0.404931  0.106070  0.289252  1.647385      7.292398
+     47   1      1   1   4     8  0.459466      72.081        0.8        1.0      0.052  0.400949  0.106830  0.293215  1.624862     14.290354
+     48   1      2   2   3     8  0.459414      72.098        4.9        5.8      0.285  0.400889  0.106842  0.293275  1.624531     14.286075
+     49   1      4   2   1     8  0.458836      72.285        9.5       10.6      0.359  0.400233  0.106969  0.293937  1.620904     14.239264
+     50   1      2   3   1     8  0.457225      72.805       63.6       61.4      1.006  0.398402  0.107326  0.295797  1.610908     14.111112
+     51   1      2   0   4     4  0.456950      72.894        0.0        0.0      0.000  0.398089  0.107387  0.296116  1.609218      7.044783
+     52   1      5   1   1     8  0.451326      74.710        0.2        0.2      0.003  0.391669  0.108673  0.302805  1.575605     13.668811
+     53   1      1   3   2     8  0.450395      75.010      462.0      449.0      1.706  0.390602  0.108891  0.303940  1.570214     13.602729
+     54   1      4   0   3     4  0.449412      75.328      228.0      240.4      1.082  0.389474  0.109124  0.305148  1.564569      6.766971
+     55   1      2   1   4     8  0.445410      76.622        9.7       10.3      0.481  0.384869  0.110090  0.310162  1.542114     13.264671
+     56   1      5   0   2     4  0.442109      77.690       59.6       58.0      1.001  0.381054  0.110912  0.314418  1.524193      6.527448
+     57   1      4   2   2     8  0.438109      78.988       36.4       33.3      0.522  0.376406  0.111940  0.319732  1.503147     12.814577
+     58   1      4   1   3     8  0.438020      79.017       12.6       11.5      0.169  0.376303  0.111963  0.319852  1.502688     12.809418
+     59   1      2   3   2     8  0.436555      79.493        0.0        0.0      0.000  0.374595  0.112349  0.321843  1.495165     12.725194
+     60   1      3   2   3     8  0.436177      79.617      386.0      373.7      1.618  0.374153  0.112450  0.322362  1.493235     12.703728
 
    No.  Code     H   K   L  Mult     Hw         2theta      Icalc       Iobs      Sigma      HwG     HwL       ETA       d-hkl        CORR
 
-     61   1      3   3   1     8  0.434157      80.301        8.9        8.7      0.136  0.371773  0.113021  0.325231  1.482635     12.586897
-     62   1      3   0   4     4  0.433893      80.387       34.1       33.0      0.567  0.371464  0.113092  0.325600  1.481316      6.286244
-     63   1      5   1   2     8  0.430957      81.348       66.0       65.8      0.773  0.368013  0.113903  0.329764  1.466810     12.415845
-     64   1      0   2   4     4  0.429963      81.674       55.9       56.7      0.719  0.366841  0.114183  0.331198  1.461975      6.182207
-     65   1      1   2   4     8  0.425505      83.144      264.6      255.5      1.542  0.361560  0.115473  0.337789  1.440711     12.142982
-     66   1      3   1   4     8  0.422875      84.018        5.0        5.1      0.171  0.358424  0.116262  0.341807  1.428477     12.019242
-     67   1      0   3   3     4  0.421333      84.532      120.1      110.1      1.032  0.356576  0.116736  0.344210  1.421400      5.974460
-     68   1      6   0   0     2  0.419481      85.153       45.4       45.9      0.595  0.354352  0.117315  0.347142  1.412999      2.966673
-     69   1      5   2   1     8  0.417932      85.675       97.5       96.4      0.681  0.352483  0.117810  0.349638  1.406041     11.799630
-     70   1      1   3   3     8  0.416988      85.995      167.0      161.3      0.980  0.351342  0.118115  0.351177  1.401834     11.759552
-     71   1      3   3   2     8  0.414517      86.836      187.9      181.5      1.209  0.348340  0.118932  0.355281  1.390920     11.657269
-     72   1      6   0   1     4  0.413101      87.321        0.5        0.6      0.013  0.346612  0.119412  0.357681  1.384732      5.800197
-     73   1      2   2   4     8  0.412492      87.531        2.2        2.2      0.060  0.345868  0.119621  0.358724  1.382086     11.576321
-     74   1      1   0   5     4  0.410428      88.246      158.8      154.7      0.594  0.343333  0.120343  0.362313  1.373169      5.748170
-     75   1      4   3   0     4  0.410034      88.383      403.5      404.6      1.203  0.342847  0.120483  0.363009  1.371474      5.740670
-     76   1      5   0   3     4  0.409409      88.601       38.6       40.0      0.131  0.342076  0.120707  0.364117  1.368795      5.728881
-     77   1      6   1   0     4  0.408970      88.755      220.0      230.8      0.980  0.341534  0.120865  0.364900  1.366919      5.720675
-     78   1      4   2   3     8  0.405810      89.873       39.7       36.4      0.327  0.337607  0.122035  0.370662  1.353491     11.326310
-     79   1      0   4   0     2  0.404775      90.244      484.5      460.3      1.426  0.336311  0.122431  0.372600  1.349121      2.822454
-     80   1      2   3   3     8  0.404427      90.369        0.5        0.5      0.002  0.335874  0.122566  0.373257  1.347655     11.277679
-     81   1      0   1   5     4  0.404382      90.385      137.0      133.8      0.440  0.335818  0.122584  0.373342  1.347466      5.638060
-     82   1      4   3   1     8  0.403934      90.547        0.3        0.3      0.001  0.335255  0.122758  0.374192  1.345582     11.260615
-     83   1      4   0   4     4  0.403700      90.632        5.8        5.9      0.027  0.334960  0.122850  0.374639  1.344596      5.626267
-     84   1      6   1   1     8  0.402909      90.919      256.6      274.4      1.296  0.333964  0.123162  0.376156  1.341279     11.225537
-     85   1      1   1   5     8  0.400396      91.843        0.2        0.2      0.005  0.330776  0.124184  0.381090  1.330763     11.141850
-     86   1      5   2   2     8  0.399518      92.170        3.2        4.1      0.046  0.329654  0.124552  0.382856  1.327096     11.113372
-     87   1      5   1   3     8  0.399443      92.198       59.0       76.2      0.819  0.329558  0.124584  0.383009  1.326780     11.110940
-     88   1      2   0   5     4  0.398328      92.618       20.2       26.6      0.501  0.328126  0.125061  0.385286  1.322127      5.537695
-     89   1      6   0   2     4  0.395216      93.815       50.9       49.4      0.671  0.324090  0.126450  0.391856  1.309134      5.489715
-     90   1      1   4   1     8  0.395083      93.867        7.8        7.5      0.095  0.323917  0.126511  0.392143  1.308580     10.975451
-     91   1      4   1   4     8  0.394158      94.232       39.3       37.4      0.448  0.322704  0.126944  0.394166  1.304707     10.947899
-     92   1      3   2   4     8  0.392682      94.823      484.4      486.8      1.823  0.320753  0.127655  0.397464  1.298505     10.904756
-     93   1      2   4   0     4  0.389637      96.083        2.9        2.8      0.026  0.316667  0.129209  0.404573  1.285582      5.409466
-     94   1      2   1   5     8  0.389302      96.226      202.4      203.6      1.342  0.316213  0.129388  0.405381  1.284149     10.809772
-     95   1      4   3   2     8  0.387396      97.055        0.0        0.0      0.000  0.313597  0.130444  0.410108  1.275904     10.758473
-     96   1      6   1   2     8  0.386559      97.430        0.0        0.0      0.000  0.312433  0.130929  0.412255  1.272234     10.736444
-     97   1      3   3   3     8  0.386014      97.677      252.0      259.3      1.498  0.311671  0.131252  0.413677  1.269825     10.722264
-     98   1      2   4   1     8  0.384752      98.264        6.3        8.0      0.216  0.309887  0.132027  0.417053  1.264183     10.689940
-     99   1      0   4   2     4  0.383365      98.933       39.0       43.4      0.709  0.307893  0.132927  0.420916  1.257847      5.327585
-    100   1      6   2   0     4  0.382065      99.589      134.7      134.2      1.063  0.305987  0.133824  0.424704  1.251749      5.311650
-    101   1      3   0   5     4  0.381368      99.953       18.2       17.8      0.289  0.304948  0.134329  0.426811  1.248402      5.303249
-    102   1      1   4   2     8  0.380518     100.412       50.5       46.6      0.755  0.303662  0.134974  0.429468  1.244227     10.586245
-    103   1      1   3   4     8  0.379111     101.213       65.7       69.3      0.901  0.301479  0.136120  0.434102  1.237051     10.553345
-    104   1      6   2   1     8  0.378163     101.790        9.4       10.2      0.303  0.299961  0.136962  0.437432  1.231970     10.531567
-    105   1      1   2   5     8  0.376737     102.736       59.6       59.0      0.435  0.297582  0.138371  0.442861  1.223806     10.499360
-    106   1      5   2   3     8  0.376232     103.100      835.1      848.0      2.332  0.296701  0.138925  0.444945  1.220706     10.488073
-    107   1      3   1   5     8  0.375549     103.627       80.7       84.4      0.621  0.295470  0.139736  0.447938  1.216281     10.472893
-    108   1      5   3   1     8  0.375345     103.793        6.2        6.2      0.067  0.295091  0.139994  0.448880  1.214895     10.468372
-    109   1      5   0   4     4  0.375240     103.881       17.4       17.0      0.247  0.294894  0.140130  0.449374  1.214169      5.233026
-    110   1      6   0   3     4  0.374245     104.793       12.6       12.5      0.243  0.292922  0.141575  0.454490  1.206684      5.221978
-    111   1      2   4   2     8  0.374148     104.893       32.9       33.2      0.550  0.292717  0.141735  0.455044  1.205878     10.441783
-    112   1      4   2   4     8  0.373867     105.194       18.3       18.9      0.480  0.292108  0.142221  0.456712  1.203450     10.435494
-    113   1      2   3   4     8  0.373439     105.709        2.2        3.1      0.171  0.291112  0.143063  0.459539  1.199342     10.425735
-    114   1      3   4   1     8  0.373432     105.717        1.0        1.3      0.074  0.291096  0.143077  0.459584  1.199275     10.425585
-    115   1      7   0   1     4  0.372915     106.491        2.4        2.6      0.178  0.289709  0.144368  0.463768  1.193199      5.206647
-    116   1      2   2   5     8  0.372558     107.262      147.5      153.2      1.227  0.288469  0.145684  0.467847  1.187260     10.403848
-    117   1      5   1   4     8  0.372450     107.618       54.6       60.0      0.645  0.287946  0.146301  0.469695  1.184557     10.400434
-    118   1      4   3   3     8  0.372357     108.156       21.3       19.1      0.368  0.287220  0.147248  0.472447  1.180512     10.396399
-    119   1      6   2   2     8  0.372344     108.518      118.3      119.0      1.230  0.286776  0.147894  0.474263  1.177824     10.394459
-    120   1      6   1   3     8  0.372345     108.548        1.0        1.0      0.011  0.286741  0.147947  0.474412  1.177603     10.394325
+     61   1      3   3   1     8  0.434077      80.301        8.9        8.7      0.136  0.371696  0.113015  0.325270  1.482635     12.586893
+     62   1      3   0   4     4  0.433813      80.387       34.1       33.0      0.567  0.371387  0.113086  0.325638  1.481316      6.286244
+     63   1      5   1   2     8  0.430875      81.348       66.0       65.8      0.773  0.367934  0.113897  0.329805  1.466809     12.415841
+     64   1      0   2   4     4  0.429881      81.674       55.9       56.7      0.719  0.366762  0.114177  0.331239  1.461975      6.182207
+     65   1      1   2   4     8  0.425421      83.144      264.6      255.5      1.542  0.361478  0.115466  0.337833  1.440711     12.142985
+     66   1      3   1   4     8  0.422789      84.018        5.0        5.1      0.171  0.358340  0.116256  0.341853  1.428477     12.019242
+     67   1      0   3   3     4  0.421246      84.532      120.1      110.1      1.032  0.356492  0.116729  0.344258  1.421399      5.974460
+     68   1      6   0   0     2  0.419393      85.153       45.4       45.9      0.595  0.354266  0.117309  0.347191  1.412999      2.966673
+     69   1      5   2   1     8  0.417843      85.675       97.5       96.4      0.681  0.352397  0.117803  0.349688  1.406041     11.799627
+     70   1      1   3   3     8  0.416899      85.995      167.0      161.3      0.980  0.351255  0.118109  0.351228  1.401834     11.759551
+     71   1      3   3   2     8  0.414425      86.836      187.9      181.5      1.209  0.348251  0.118926  0.355335  1.390920     11.657266
+     72   1      6   0   1     4  0.413008      87.321        0.5        0.6      0.013  0.346523  0.119406  0.357736  1.384732      5.800196
+     73   1      2   2   4     8  0.412400      87.531        2.1        2.2      0.060  0.345778  0.119615  0.358779  1.382086     11.576322
+     74   1      1   0   5     4  0.410334      88.246      158.8      154.7      0.594  0.343242  0.120336  0.362370  1.373169      5.748171
+     75   1      4   3   0     4  0.409939      88.383      403.5      404.6      1.203  0.342756  0.120476  0.363066  1.371474      5.740669
+     76   1      5   0   3     4  0.409314      88.602       38.6       39.9      0.131  0.341984  0.120700  0.364175  1.368795      5.728880
+     77   1      6   1   0     4  0.408875      88.755      220.0      230.8      0.980  0.341442  0.120858  0.364959  1.366918      5.720675
+     78   1      4   2   3     8  0.405713      89.873       39.7       36.4      0.327  0.337512  0.122029  0.370724  1.353491     11.326309
+     79   1      0   4   0     2  0.404676      90.244      484.5      460.3      1.426  0.336215  0.122425  0.372663  1.349120      2.822454
+     80   1      2   3   3     8  0.404328      90.369        0.5        0.5      0.002  0.335778  0.122559  0.373320  1.347655     11.277678
+     81   1      0   1   5     4  0.404283      90.385      137.0      133.8      0.440  0.335722  0.122577  0.373405  1.347466      5.638061
+     82   1      4   3   1     8  0.403835      90.547        0.3        0.3      0.001  0.335158  0.122751  0.374256  1.345582     11.260612
+     83   1      4   0   4     4  0.403600      90.632        5.8        5.9      0.027  0.334863  0.122843  0.374704  1.344596      5.626267
+     84   1      6   1   1     8  0.402809      90.919      256.6      274.4      1.296  0.333867  0.123155  0.376221  1.341279     11.225535
+     85   1      1   1   5     8  0.400294      91.843        0.2        0.2      0.005  0.330677  0.124177  0.381158  1.330763     11.141851
+     86   1      5   2   2     8  0.399415      92.170        3.2        4.1      0.046  0.329554  0.124545  0.382925  1.327095     11.113370
+     87   1      5   1   3     8  0.399340      92.198       59.0       76.2      0.819  0.329457  0.124577  0.383078  1.326780     11.110940
+     88   1      2   0   5     4  0.398224      92.618       20.2       26.6      0.501  0.328025  0.125054  0.385357  1.322128      5.537695
+     89   1      6   0   2     4  0.395109      93.815       50.9       49.4      0.671  0.323986  0.126443  0.391931  1.309134      5.489714
+     90   1      1   4   1     8  0.394976      93.867        7.8        7.5      0.095  0.323812  0.126504  0.392218  1.308580     10.975451
+     91   1      4   1   4     8  0.394051      94.232       39.3       37.4      0.449  0.322598  0.126937  0.394243  1.304707     10.947897
+     92   1      3   2   4     8  0.392573      94.823      484.4      486.8      1.823  0.320646  0.127648  0.397543  1.298505     10.904756
+     93   1      2   4   0     4  0.389524      96.084        2.9        2.8      0.026  0.316556  0.129202  0.404658  1.285581      5.409463
+     94   1      2   1   5     8  0.389189      96.226      202.4      203.6      1.342  0.316101  0.129381  0.405466  1.284149     10.809772
+     95   1      4   3   2     8  0.387281      97.055        0.0        0.0      0.000  0.313484  0.130436  0.410197  1.275904     10.758471
+     96   1      6   1   2     8  0.386442      97.430        0.0        0.0      0.000  0.312319  0.130921  0.412345  1.272233     10.736443
+     97   1      3   3   3     8  0.385897      97.677      252.0      259.3      1.497  0.311555  0.131245  0.413769  1.269825     10.722264
+     98   1      2   4   1     8  0.384633      98.264        6.3        8.0      0.216  0.309770  0.132020  0.417147  1.264183     10.689939
+     99   1      0   4   2     4  0.383244      98.934       39.0       43.4      0.709  0.307774  0.132920  0.421013  1.257846      5.327584
+    100   1      6   2   0     4  0.381942      99.589      134.7      134.1      1.063  0.305866  0.133816  0.424804  1.251749      5.311650
+    101   1      3   0   5     4  0.381245      99.953       18.2       17.8      0.289  0.304826  0.134322  0.426913  1.248402      5.303249
+    102   1      1   4   2     8  0.380393     100.412       50.5       46.6      0.755  0.303538  0.134967  0.429572  1.244227     10.586244
+    103   1      1   3   4     8  0.378983     101.213       65.7       69.3      0.901  0.301353  0.136113  0.434210  1.237051     10.553344
+    104   1      6   2   1     8  0.378033     101.790        9.4       10.2      0.303  0.299833  0.136955  0.437543  1.231970     10.531567
+    105   1      1   2   5     8  0.376605     102.736       59.6       59.0      0.435  0.297451  0.138364  0.442977  1.223806     10.499361
+    106   1      5   2   3     8  0.376099     103.100      835.2      847.9      2.332  0.296569  0.138918  0.445062  1.220706     10.488071
+    107   1      3   1   5     8  0.375414     103.627       80.7       84.4      0.621  0.295336  0.139728  0.448058  1.216281     10.472896
+    108   1      5   3   1     8  0.375209     103.793        6.2        6.2      0.067  0.294957  0.139986  0.449001  1.214895     10.468372
+    109   1      5   0   4     4  0.375104     103.881       17.4       17.0      0.247  0.294759  0.140123  0.449495  1.214169      5.233025
+    110   1      6   0   3     4  0.374106     104.793       12.6       12.5      0.243  0.292784  0.141567  0.454616  1.206684      5.221978
+    111   1      2   4   2     8  0.374008     104.893       32.9       33.2      0.550  0.292579  0.141727  0.455170  1.205877     10.441784
+    112   1      4   2   4     8  0.373727     105.194       18.3       18.9      0.480  0.291969  0.142214  0.456840  1.203449     10.435494
+    113   1      2   3   4     8  0.373297     105.709        2.2        3.1      0.171  0.290970  0.143056  0.459669  1.199342     10.425734
+    114   1      3   4   1     8  0.373290     105.717        1.0        1.3      0.074  0.290955  0.143069  0.459715  1.199275     10.425586
+    115   1      7   0   1     4  0.372770     106.491        2.4        2.6      0.178  0.289565  0.144360  0.463902  1.193199      5.206647
+    116   1      2   2   5     8  0.372411     107.262      147.5      153.2      1.227  0.288322  0.145676  0.467985  1.187260     10.403848
+    117   1      5   1   4     8  0.372302     107.618       54.6       60.0      0.645  0.287798  0.146293  0.469835  1.184557     10.400434
+    118   1      4   3   3     8  0.372207     108.156       21.3       19.1      0.368  0.287070  0.147240  0.472590  1.180512     10.396399
+    119   1      6   2   2     8  0.372193     108.518      118.3      119.0      1.230  0.286625  0.147885  0.474409  1.177824     10.394457
+    120   1      6   1   3     8  0.372193     108.548        1.0        1.0      0.011  0.286590  0.147939  0.474557  1.177603     10.394324
 
    No.  Code     H   K   L  Mult     Hw         2theta      Icalc       Iobs      Sigma      HwG     HwL       ETA       d-hkl        CORR
 
-    121   1      7   1   1     8  0.372895     110.281       22.4       22.5      0.287  0.285170  0.151143  0.482689  1.165060     10.393866
-    122   1      4   0   5     4  0.373067     110.539      251.1      261.7      1.519  0.285018  0.151633  0.483855  1.163240      5.197510
-    123   1      5   3   2     8  0.373104     110.591        2.9        3.0      0.018  0.284990  0.151732  0.484087  1.162876     10.395290
-    124   1      0   0   6     2  0.373486     111.057       72.1       70.7      0.777  0.284782  0.152630  0.486139  1.159619      2.599575
-    125   1      1   4   3     8  0.374133     111.685       93.7       92.6      1.010  0.284623  0.153861  0.488802  1.155288     10.404009
-    126   1      3   4   2     8  0.375349     112.592      242.7      231.8      1.459  0.284654  0.155681  0.492420  1.149156     10.415616
-    127   1      1   0   6     4  0.375403     112.627        6.2        5.9      0.038  0.284661  0.155752  0.492554  1.148921      5.208073
-    128   1      7   0   2     4  0.376729     113.400      219.0      235.9      1.502  0.284957  0.157347  0.495402  1.143807      5.214671
-    129   1      3   3   4     8  0.376819     113.447        2.2        2.4      0.016  0.284983  0.157447  0.495570  1.143495     10.430251
-    130   1      4   4   0     4  0.378564     114.277       33.7       29.1      0.774  0.285600  0.159208  0.498362  1.138117      5.223954
-    131   1      4   1   5     8  0.378926     114.432        0.8        0.7      0.026  0.285749  0.159542  0.498855  1.137122     10.451592
-    132   1      3   2   5     8  0.380570     115.081       46.6       43.6      0.990  0.286494  0.160960  0.500804  1.133009     10.468307
-    133   1      2   4   3     8  0.384835     116.475       52.7       55.1      0.435  0.288783  0.164110  0.504375  1.124394     10.511477
-    134   1      1   1   6     8  0.385211     116.583        0.7        0.7      0.004  0.289003  0.164361  0.504616  1.123736     10.515256
-    135   1      4   4   1     8  0.385529     116.673      330.7      330.3      1.750  0.289190  0.164571  0.504813  1.123189     10.518456
-    136   1      7   1   2     8  0.388179     117.381      120.0      128.6      1.199  0.290810  0.166239  0.506221  1.118949     10.544974
-    137   1      2   0   6     4  0.388465     117.453        5.0        5.3      0.057  0.290991  0.166411  0.506351  1.118522      5.273910
-    138   1      6   3   0     4  0.393961     118.712      155.5      151.3      1.420  0.294613  0.169486  0.508211  1.111177      5.301045
-    139   1      5   2   4     8  0.397404     119.404       89.0       93.6      1.126  0.297003  0.171235  0.508898  1.107233     10.635646
-    140   1      6   2   3     8  0.403047     120.424       33.2       34.9      0.392  0.301065  0.173891  0.509465  1.101548     10.689971
-    141   1      0   3   5     4  0.404015     120.587      142.4      143.8      1.272  0.301777  0.174325  0.509506  1.100651      5.349609
-    142   1      6   3   1     8  0.407870     121.209       33.5       33.4      0.418  0.304649  0.176001  0.509536  1.097272     10.735838
-    143   1      6   0   4     4  0.408511     121.308        0.4        0.4      0.004  0.305131  0.176272  0.509523  1.096737      5.370949
-    144   1      2   1   6     8  0.410348     121.587      261.1      271.6      1.694  0.306521  0.177038  0.509457  1.095243     10.759207
-    145   1      1   3   5     8  0.415273     122.295       15.1       15.4      0.132  0.310297  0.179022  0.509111  1.091491     10.805336
-    146   1      7   2   1     8  0.415590     122.339      119.5      122.2      0.992  0.310543  0.179146  0.509081  1.091261     10.808295
-    147   1      5   3   3     8  0.418380     122.717      137.2      140.3      1.296  0.312712  0.180226  0.508783  1.089291     10.834231
-    148   1      4   4   2     8  0.430462     124.207       10.7        8.8      0.395  0.322289  0.184637  0.506907  1.081701     10.945265
-    149   1      3   4   3     8  0.437218     124.957      226.8      201.4      1.563  0.327746  0.186952  0.505550  1.077989     11.006577
-    150   1      4   3   4     8  0.439168     125.164       22.8       21.0      0.166  0.329333  0.187604  0.505128  1.076976     11.024189
-    151   1      5   0   5     4  0.441736     125.431       62.7       62.8      0.587  0.331430  0.188452  0.504553  1.075677      5.523663
-    152   1      6   1   4     8  0.443585     125.620        8.2        8.4      0.078  0.332944  0.189056  0.504128  1.074766     11.063946
-    153   1      7   0   3     4  0.446071     125.869       95.4       96.4      0.861  0.334985  0.189859  0.503541  1.073570      5.543126
-    154   1      3   0   6     4  0.447685     126.028       45.3       44.1      0.502  0.336314  0.190376  0.503153  1.072812      5.550351
-    155   1      4   2   5     8  0.458134     127.007      247.1      263.5      1.791  0.344975  0.193633  0.500509  1.068202     11.193792
-    156   1      0   5   1     4  0.462181     127.366       42.2       38.9      0.304  0.348353  0.194858  0.499436  1.066541      5.614830
-    157   1      0   4   4     4  0.463408     127.473       19.0       16.6      0.138  0.349380  0.195227  0.499106  1.066050      5.620257
-    158   1      0   2   6     4  0.465064     127.616        0.4        0.3      0.003  0.350767  0.195721  0.498659  1.065396      5.627572
-    159   1      2   3   5     8  0.465242     127.631      143.3      116.5      1.174  0.350916  0.195774  0.498611  1.065326     11.256721
-    160   1      8   0   0     2  0.480455     128.871      238.1      252.2      1.781  0.363741  0.200191  0.494378  1.059749      2.847625
-    161   1      6   3   2     8  0.484162     129.156        0.0        0.0      0.000  0.366885  0.201238  0.493323  1.058493     11.422943
-    162   1      1   5   1     8  0.485041     129.223        8.7        8.9      0.064  0.367633  0.201485  0.493071  1.058200     11.430642
-    163   1      1   4   4     8  0.486496     129.332        4.3        4.3      0.031  0.368869  0.201892  0.492655  1.057721     11.443351
-    164   1      1   2   6     8  0.488458     129.479      201.4      200.0      1.449  0.370537  0.202439  0.492093  1.057082     11.460477
-    165   1      5   1   5     8  0.495305     129.978       30.6       29.8      0.302  0.376375  0.204327  0.490120  1.054924     11.520177
-    166   1      7   2   2     8  0.501386     130.406      177.6      179.8      1.168  0.381575  0.205979  0.488361  1.053095     11.573078
-    167   1      7   1   3     8  0.501922     130.444      122.0      122.3      0.814  0.382034  0.206123  0.488206  1.052937     11.577735
-    168   1      3   1   6     8  0.504382     130.613       23.6       22.2      0.214  0.384142  0.206785  0.487494  1.052221     11.599100
-    169   1      8   0   1     4  0.521039     131.707       35.0       33.2      0.583  0.398467  0.211182  0.482676  1.047667      5.871720
-    170   1      2   5   0     4  0.527888     132.134      184.9      172.3      1.969  0.404380  0.212953  0.480706  1.045927      5.901322
-    171   1      5   4   1     8  0.536782     132.671        1.3        1.2      0.061  0.412075  0.215225  0.478166  1.043771     11.879409
-    172   1      8   1   0     4  0.554002     133.657        0.8        0.9      0.081  0.427023  0.219544  0.473318  1.039888      6.013901
-    173   1      2   5   1     8  0.581795     135.124      227.8      226.4      2.014  0.451256  0.226331  0.465744  1.034306     12.266895
-    174   1      2   4   4     8  0.584196     135.244        0.0        0.0      0.000  0.453355  0.226909  0.465105  1.033858     12.287539
-    175   1      2   2   6     8  0.587436     135.405      140.3      126.9      1.292  0.456188  0.227686  0.464248  1.033261     12.315386
-    176   1      8   1   1     8  0.615347     136.727        6.4        8.0      0.243  0.480642  0.234292  0.457071  1.028464     12.555320
-    177   1      3   3   5     8  0.633678     137.538      331.1      336.9      2.547  0.496743  0.238556  0.452561  1.025609     12.712981
-    178   1      1   5   2     8  0.649620     138.212       43.3       41.5      0.486  0.510767  0.242225  0.448771  1.023291     12.850187
-    179   1      4   4   3     8  0.660976     138.675      245.4      243.3      2.623  0.520766  0.244818  0.446146  1.021723     12.947978
-    180   1      4   0   6     4  0.695716     140.013        0.1        0.2      0.012  0.551402  0.252660  0.438483  1.017312      6.623796
+    121   1      7   1   1     8  0.372738     110.281       22.4       22.6      0.287  0.285013  0.151135  0.482843  1.165060     10.393866
+    122   1      4   0   5     4  0.372909     110.539      251.1      261.7      1.519  0.284860  0.151625  0.484010  1.163240      5.197510
+    123   1      5   3   2     8  0.372946     110.591        2.9        3.0      0.018  0.284832  0.151724  0.484242  1.162876     10.395290
+    124   1      0   0   6     2  0.373326     111.057       72.1       70.7      0.777  0.284622  0.152621  0.486296  1.159619      2.599574
+    125   1      1   4   3     8  0.373972     111.685       93.8       92.6      1.010  0.284460  0.153853  0.488962  1.155288     10.404009
+    126   1      3   4   2     8  0.375184     112.592      242.7      231.8      1.459  0.284488  0.155672  0.492583  1.149155     10.415617
+    127   1      1   0   6     4  0.375238     112.627        6.2        5.9      0.038  0.284496  0.155744  0.492718  1.148922      5.208072
+    128   1      7   0   2     4  0.376561     113.400      219.0      235.9      1.502  0.284789  0.157339  0.495568  1.143807      5.214671
+    129   1      3   3   4     8  0.376652     113.447        2.2        2.4      0.016  0.284815  0.157438  0.495737  1.143495     10.430250
+    130   1      4   4   0     4  0.378394     114.277       33.7       29.1      0.774  0.285429  0.159199  0.498532  1.138116      5.223955
+    131   1      4   1   5     8  0.378756     114.432        0.8        0.7      0.026  0.285578  0.159534  0.499025  1.137122     10.451592
+    132   1      3   2   5     8  0.380398     115.081       46.6       43.6      0.990  0.286321  0.160951  0.500976  1.133009     10.468307
+    133   1      2   4   3     8  0.384659     116.475       52.7       55.1      0.435  0.288606  0.164101  0.504551  1.124393     10.511478
+    134   1      1   1   6     8  0.385034     116.583        0.7        0.7      0.004  0.288825  0.164352  0.504792  1.123736     10.515256
+    135   1      4   4   1     8  0.385352     116.674      330.7      330.3      1.750  0.289012  0.164562  0.504989  1.123189     10.518456
+    136   1      7   1   2     8  0.388000     117.381      120.0      128.6      1.199  0.290631  0.166230  0.506398  1.118949     10.544974
+    137   1      2   0   6     4  0.388286     117.453        5.0        5.3      0.057  0.290810  0.166402  0.506527  1.118522      5.273910
+    138   1      6   3   0     4  0.393779     118.712      155.5      151.3      1.420  0.294430  0.169477  0.508390  1.111176      5.301046
+    139   1      5   2   4     8  0.397221     119.404       89.0       93.6      1.125  0.296818  0.171226  0.509077  1.107233     10.635646
+    140   1      6   2   3     8  0.402861     120.424       33.2       34.9      0.392  0.300878  0.173882  0.509643  1.101547     10.689973
+    141   1      0   3   5     4  0.403829     120.587      142.4      143.8      1.272  0.301590  0.174316  0.509684  1.100651      5.349609
+    142   1      6   3   1     8  0.407683     121.209       33.5       33.5      0.418  0.304460  0.175992  0.509714  1.097271     10.735840
+    143   1      6   0   4     4  0.408324     121.308        0.4        0.4      0.004  0.304942  0.176263  0.509700  1.096737      5.370949
+    144   1      2   1   6     8  0.410159     121.587      261.0      271.6      1.693  0.306331  0.177028  0.509634  1.095243     10.759205
+    145   1      1   3   5     8  0.415083     122.295       15.1       15.4      0.132  0.310107  0.179012  0.509287  1.091491     10.805335
+    146   1      7   2   1     8  0.415401     122.339      119.5      122.2      0.992  0.310352  0.179137  0.509257  1.091261     10.808297
+    147   1      5   3   3     8  0.418191     122.717      137.2      140.3      1.296  0.312521  0.180217  0.508958  1.089290     10.834235
+    148   1      4   4   2     8  0.430271     124.207       10.7        8.8      0.395  0.322096  0.184627  0.507078  1.081701     10.945268
+    149   1      3   4   3     8  0.437026     124.957      226.8      201.4      1.563  0.327553  0.186942  0.505719  1.077989     11.006580
+    150   1      4   3   4     8  0.438975     125.164       22.8       21.0      0.166  0.329139  0.187594  0.505295  1.076976     11.024191
+    151   1      5   0   5     4  0.441543     125.431       62.7       62.8      0.587  0.331235  0.188442  0.504720  1.075677      5.523664
+    152   1      6   1   4     8  0.443392     125.620        8.2        8.4      0.078  0.332749  0.189046  0.504294  1.074766     11.063948
+    153   1      7   0   3     4  0.445878     125.869       95.4       96.3      0.861  0.334791  0.189849  0.503706  1.073570      5.543127
+    154   1      3   0   6     4  0.447491     126.028       45.3       44.1      0.502  0.336119  0.190365  0.503317  1.072812      5.550350
+    155   1      4   2   5     8  0.457939     127.007      247.0      263.5      1.791  0.344779  0.193622  0.500669  1.068202     11.193795
+    156   1      0   5   1     4  0.461987     127.366       42.2       38.9      0.304  0.348158  0.194848  0.499594  1.066541      5.614833
+    157   1      0   4   4     4  0.463213     127.473       19.0       16.6      0.138  0.349184  0.195216  0.499264  1.066050      5.620259
+    158   1      0   2   6     4  0.464868     127.616        0.4        0.3      0.003  0.350570  0.195710  0.498817  1.065396      5.627571
+    159   1      2   3   5     8  0.465047     127.631      143.3      116.5      1.174  0.350721  0.195763  0.498768  1.065326     11.256723
+    160   1      8   0   0     2  0.480260     128.871      238.1      252.2      1.781  0.363545  0.200180  0.494529  1.059749      2.847626
+    161   1      6   3   2     8  0.483966     129.156        0.0        0.0      0.000  0.366689  0.201227  0.493472  1.058493     11.422949
+    162   1      1   5   1     8  0.484846     129.223        8.7        8.9      0.064  0.367437  0.201474  0.493220  1.058200     11.430644
+    163   1      1   4   4     8  0.486300     129.332        4.3        4.3      0.031  0.368673  0.201881  0.492804  1.057720     11.443353
+    164   1      1   2   6     8  0.488261     129.479      201.4      200.0      1.449  0.370341  0.202427  0.492241  1.057082     11.460474
+    165   1      5   1   5     8  0.495108     129.978       30.6       29.8      0.303  0.376178  0.204315  0.490266  1.054924     11.520179
+    166   1      7   2   2     8  0.501190     130.406      177.6      179.8      1.168  0.381379  0.205968  0.488504  1.053094     11.573084
+    167   1      7   1   3     8  0.501726     130.444      122.0      122.3      0.814  0.381838  0.206112  0.488349  1.052937     11.577743
+    168   1      3   1   6     8  0.504184     130.613       23.6       22.2      0.214  0.383945  0.206773  0.487636  1.052221     11.599097
+    169   1      8   0   1     4  0.520843     131.708       35.1       33.2      0.583  0.398271  0.211171  0.482811  1.047666      5.871724
+    170   1      2   5   0     4  0.527693     132.134      184.8      172.3      1.969  0.404185  0.212942  0.480839  1.045927      5.901327
+    171   1      5   4   1     8  0.536586     132.671        1.3        1.2      0.061  0.411880  0.215213  0.478295  1.043770     11.879417
+    172   1      8   1   0     4  0.553806     133.657        0.8        0.9      0.081  0.426828  0.219532  0.473442  1.039887      6.013906
+    173   1      2   5   1     8  0.581599     135.124      227.8      226.4      2.014  0.451061  0.226319  0.465859  1.034305     12.266905
+    174   1      2   4   4     8  0.584000     135.244        0.0        0.0      0.000  0.453160  0.226896  0.465220  1.033857     12.287541
+    175   1      2   2   6     8  0.587238     135.405      140.3      127.0      1.291  0.455991  0.227673  0.464362  1.033261     12.315381
+    176   1      8   1   1     8  0.615151     136.727        6.5        8.0      0.244  0.480448  0.234279  0.457177  1.028464     12.555335
+    177   1      3   3   5     8  0.633481     137.538      331.1      336.9      2.546  0.496548  0.238543  0.452663  1.025609     12.712981
+    178   1      1   5   2     8  0.649425     138.212       43.3       41.5      0.486  0.510574  0.242212  0.448869  1.023290     12.850200
+    179   1      4   4   3     8  0.660780     138.675      245.4      243.3      2.623  0.520572  0.244805  0.446241  1.021723     12.947987
+    180   1      4   0   6     4  0.695517     140.013        0.1        0.2      0.012  0.551207  0.252646  0.438572  1.017312      6.623794
 
    No.  Code     H   K   L  Mult     Hw         2theta      Icalc       Iobs      Sigma      HwG     HwL       ETA       d-hkl        CORR
 
-    181   1      6   2   4     8  0.706787     140.417       13.0       18.1      0.785  0.561177  0.255134  0.436155  1.016014     13.343230
-    182   1      8   0   2     4  0.727091     141.133       46.4       52.8      1.648  0.579117  0.259645  0.432022  1.013756      6.759423
-    183   1      5   4   2     8  0.761733     142.284       56.2       57.8      1.959  0.609757  0.267272  0.425357  1.010225     13.819180
-    184   1      5   3   4     8  0.804178     143.590        0.5        0.7      0.060  0.647341  0.276517  0.417810  1.006373     14.188363
-    185   1      6   3   3     8  0.858101     145.107       27.8       30.2      0.570  0.695138  0.288140  0.409100  1.002098     14.659403
-    186   1      2   5   2     8  0.864421     145.276      147.7      153.8      2.434  0.700743  0.289495  0.408138  1.001636     14.714776
-    187   1      4   1   6     8  0.892059     145.992        5.4        5.3      0.068  0.725259  0.295403  0.404066  0.999703     14.957161
-    188   1      5   2   5     8  0.899543     146.180      140.2      139.1      1.621  0.731900  0.296999  0.403000  0.999203     15.022912
-    189   1      3   5   1     8  0.920599     146.697       78.4       77.5      0.725  0.750585  0.301480  0.400079  0.997843     15.208129
-    190   1      7   2   3     8  0.925869     146.824       87.6       85.9      0.808  0.755262  0.302600  0.399365  0.997513     15.254495
-    191   1      3   4   4     8  0.927044     146.852       15.8       15.5      0.147  0.756304  0.302849  0.399207  0.997441     15.264851
-    192   1      3   2   6     8  0.935782     147.060      188.6      181.0      1.939  0.764060  0.304704  0.398042  0.996905     15.341845
-    193   1      8   1   2     8  0.945393     147.285        5.8        5.5      0.075  0.772591  0.306741  0.396782  0.996328     15.426579
-    194   1      7   3   1     8  0.980406     148.077       12.4       12.7      0.318  0.803677  0.314147  0.392374  0.994335     15.735847
-    195   1      7   0   4     4  0.987749     148.238       43.0       45.1      1.159  0.810197  0.315697  0.391483  0.993937      7.900409
-    196   1      6   0   5     4  1.036180     149.257       80.4       84.3      2.419  0.853209  0.325893  0.385891  0.991468      8.115125
-    197   1      1   0   7     4  1.133938     151.115        0.1        0.1      0.002  0.940059  0.346367  0.375905  0.987198      8.550795
-    198   1      8   2   0     4  1.154628     151.478      149.3      175.8      5.080  0.958443  0.350685  0.373987  0.986397      8.643367
-    199   1      0   5   3     4  1.415936     155.364       10.0       12.4      0.464  1.190689  0.404931  0.354232  0.978527      9.821799
+    181   1      6   2   4     8  0.706590     140.417       13.0       18.1      0.785  0.560983  0.255121  0.436242  1.016014     13.343240
+    182   1      8   0   2     4  0.726894     141.133       46.4       52.8      1.648  0.578924  0.259632  0.432105  1.013756      6.759432
+    183   1      5   4   2     8  0.761538     142.285       56.2       57.9      1.959  0.609566  0.267258  0.425435  1.010225     13.819198
+    184   1      5   3   4     8  0.803980     143.591        0.5        0.7      0.059  0.647148  0.276503  0.417881  1.006373     14.188378
+    185   1      6   3   3     8  0.857903     145.107       27.8       30.2      0.570  0.694945  0.288125  0.409165  1.002098     14.659422
+    186   1      2   5   2     8  0.864226     145.276      147.6      153.8      2.434  0.700552  0.289480  0.408202  1.001636     14.714799
+    187   1      4   1   6     8  0.891857     145.992        5.4        5.3      0.068  0.725063  0.295387  0.404128  0.999703     14.957161
+    188   1      5   2   5     8  0.899342     146.180      140.2      139.1      1.621  0.731704  0.296983  0.403060  0.999202     15.022912
+    189   1      3   5   1     8  0.920402     146.698       78.4       77.5      0.725  0.750393  0.301465  0.400137  0.997842     15.208146
+    190   1      7   2   3     8  0.925669     146.824       87.6       85.9      0.808  0.755067  0.302584  0.399424  0.997513     15.254514
+    191   1      3   4   4     8  0.926844     146.852       15.8       15.5      0.147  0.756111  0.302833  0.399265  0.997440     15.264868
+    192   1      3   2   6     8  0.935578     147.060      188.6      181.1      1.939  0.763863  0.304687  0.398100  0.996905     15.341825
+    193   1      8   1   2     8  0.945192     147.285        5.8        5.5      0.075  0.772397  0.306725  0.396839  0.996328     15.426618
+    194   1      7   3   1     8  0.980206     148.077       12.4       12.7      0.318  0.803483  0.314131  0.392427  0.994335     15.735888
+    195   1      7   0   4     4  0.987546     148.238       43.1       45.1      1.160  0.810000  0.315680  0.391537  0.993937      7.900422
+    196   1      6   0   5     4  1.035974     149.257       80.4       84.4      2.419  0.853010  0.325876  0.385941  0.991468      8.115125
+    197   1      1   0   7     4  1.133723     151.115        0.1        0.1      0.002  0.939852  0.346347  0.375950  0.987198      8.550773
+    198   1      8   2   0     4  1.154423     151.478      149.3      175.9      5.080  0.958246  0.350667  0.374030  0.986397      8.643394
+    199   1      0   5   3     4  1.415727     155.364       10.0       12.4      0.464  1.190489  0.404913  0.354264  0.978527      9.821816
 
      -----------------------------------------------------
      BRAGG R-Factors and weight fractions for Pattern #  1
      -----------------------------------------------------
 
- => Phase:  1      PbSO4                       VARY xyz b          BKG blue
- => Bragg R-factor:   3.62       Vol:  318.325( 0.003)  Fract(%):  100.00( 0.55)
+ => Phase:  1     PbSO4
+ => Bragg R-factor:   3.62       Vol:  318.325( 0.000)  Fract(%):  100.00( 0.00)
  => Rf-factor=  2.32             ATZ:        1213.030   Brindley:  1.0000
 
      -----------------------------------------------------------------
       SYMBOLIC NAMES AND FINAL VALUES AND SIGMA OF REFINED PARAMETERS:
      -----------------------------------------------------------------
 
-      ->  Parameter number    1 :                                     Scale_ph1_pat1     1.4677912    ( +/-    0.57362211E-02 )
-      ->  Parameter number    2 :                                        Biso_O3_ph1     1.3433454    ( +/-    0.25926631E-01 )
-      ->  Parameter number    3 :                                           Z_O3_ph1    0.80862921    ( +/-    0.16184626E-03 )
-      ->  Parameter number    4 :                                        Biso_Pb_ph1     1.3804076    ( +/-    0.26026981E-01 )
-      ->  Parameter number    5 :                                         Biso_S_ph1    0.36153173    ( +/-    0.46842486E-01 )
-      ->  Parameter number    6 :                                        Biso_O1_ph1     2.0364704    ( +/-    0.37720073E-01 )
-      ->  Parameter number    7 :                                        Biso_O2_ph1     1.5040264    ( +/-    0.35448443E-01 )
-      ->  Parameter number    8 :                                          Zero_pat1   -0.14357378    ( +/-    0.98597573E-03 )
-      ->  Parameter number    9 :                                    Cell_A_ph1_pat1     8.4779940    ( +/-    0.49974748E-04 )
-      ->  Parameter number   10 :                                    Cell_B_ph1_pat1     5.3964844    ( +/-    0.32934760E-04 )
-      ->  Parameter number   11 :                                    Cell_C_ph1_pat1     6.9577146    ( +/-    0.45663641E-04 )
-      ->  Parameter number   12 :                                    U-Cagl_ph1_pat1    0.13950405    ( +/-    0.32489637E-02 )
-      ->  Parameter number   13 :                                    V-Cagl_ph1_pat1   -0.41406950    ( +/-    0.72579654E-02 )
-      ->  Parameter number   14 :                                    W-Cagl_ph1_pat1    0.38822800    ( +/-    0.44874689E-02 )
-      ->  Parameter number   15 :                                     Y-cos_ph1_pat1    0.86386740E-01( +/-    0.22762732E-02 )
-      ->  Parameter number   16 :                                           Y_O3_ph1    0.27133074E-01( +/-    0.17500974E-03 )
-      ->  Parameter number   17 :                                           X_Pb_ph1    0.18754043    ( +/-    0.10324081E-03 )
-      ->  Parameter number   18 :                                           Z_Pb_ph1    0.16708915    ( +/-    0.16470533E-03 )
-      ->  Parameter number   19 :                                            X_S_ph1    0.65319151E-01( +/-    0.31674514E-03 )
-      ->  Parameter number   20 :                                            Z_S_ph1    0.68400782    ( +/-    0.41937231E-03 )
-      ->  Parameter number   21 :                                           X_O1_ph1    0.90822059    ( +/-    0.21504112E-03 )
-      ->  Parameter number   22 :                                           Z_O1_ph1    0.59542036    ( +/-    0.22426604E-03 )
-      ->  Parameter number   23 :                                           X_O2_ph1    0.19390231    ( +/-    0.20992001E-03 )
-      ->  Parameter number   24 :                                           Z_O2_ph1    0.54358840    ( +/-    0.26308294E-03 )
-      ->  Parameter number   25 :                                           X_O3_ph1    0.81137687E-01( +/-    0.12551028E-03 )
-      ->  Parameter number   26 :                                         Bck_0_pat1     210.05978    ( +/-     4.0747437     )
-      ->  Parameter number   27 :                                         Bck_1_pat1     196.59703    ( +/-     2.9426107     )
-      ->  Parameter number   28 :                                         Bck_2_pat1     196.31264    ( +/-     1.8860227     )
-      ->  Parameter number   29 :                                         Bck_3_pat1     189.61301    ( +/-     1.2947311     )
-      ->  Parameter number   30 :                                         Bck_4_pat1     207.98036    ( +/-     1.2635098     )
-      ->  Parameter number   31 :                                         Bck_5_pat1     202.08662    ( +/-    0.67685711     )
-      ->  Parameter number   32 :                                         Bck_6_pat1     246.02811    ( +/-     1.2801093     )
-      ->  Parameter number   33 :                                         Bck_7_pat1     224.76169    ( +/-     1.9622194     )
 
  ------------------------------------------------------------------
  => Number of bytes for floating point variables: 4
  => Dimensions of dynamic allocated arrays in this run of FullProf:
  ------------------------------------------------------------------
 
- => Total approximate array memory (dynamic + static): 156326598 bytes
+ => Total approximate array memory (dynamic + static): 132451053 bytes
 
     MaxPOINT=    80000 Max.num. of points(+int. Inten.)/diffraction pattern       
     MaxREFLT=    25000 Max.num. of reflections/diffraction pattern               
@@ -730,7 +651,7 @@
     NGL     =      400 Max.num. of global parameters/diffraction pattern          
     N_LINC  =       50 Max.num. of global linear restraints                        
     NAT_P   =       80 Max.num. of atomic parameters per atom                     
-    NCONST  =      500 Max.num. of slack constraints per phase                    
+    NCONST  =     3500 Max.num. of slack constraints per phase                    
     N_SPE   =       30 Max.num. of different chemical species                     
     N_FORM  =       60 Max.num. of scattering factor values in a table            
     NPR     =      150 Max.num. of points defining a numerical profile            
@@ -739,7 +660,7 @@
     NSOL    =       10 Max.num. of solutions to be stored in Montecarlo searchs   
 
  
-              CPU Time:     1.281 seconds
-                            0.021 minutes
+              CPU Time:     0.289 seconds
+                            0.005 minutes
 
- => Run finished at:     Date: 06/06/2026  Time: 22:35:39.236                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:49:24.338                              
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.pcr b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.pcr
index 139c44196..9f91238a3 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.pcr
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.pcr
@@ -1,41 +1,41 @@
 COMM PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
-! Current global Chi2 (Bragg contrib.) =      4.771    
+! Current global Chi2 (Bragg contrib.) =      4.717    
 ! Files => DAT-file: pbso4.dat,  PCR-file: pbso4
 !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut
    1   7   1   8   2   0   0   0   0   0   0   0   0   0   0   0   0   1   1
 !
 !Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana
-   2   0   1   0   1   0   4   0   0   1   6   1   1   0   0   1   1
+   2   2   1   0   1   0   4   0   0   2   6   1   1   0   0   1   1
 !
 ! Lambda1  Lambda2    Ratio    Bkpos    Wdt    Cthm     muR   AsyLim   Rpolarz  2nd-muR -> Patt# 1
- 1.912000 1.912000  1.00000   70.000 30.0000  0.0000  0.0000  160.00    0.0000  0.0000
+ 1.912000 1.912000  1.00000   70.000  30.000  0.0000  0.0000  160.00    0.0000  0.0000
 !
 !NCY  Eps  R_at  R_an  R_pr  R_gl     Thmin       Step       Thmax    PSD    Sent0
 500  0.05  0.20  0.20  0.20  0.20     10.0000   0.050000   155.4500   0.000   0.000
 !
 !2Theta/TOF/E(Kev)   Background  for Pattern#  1
-        11.0000       210.0598        261.00
-        15.0000       196.5970        271.00
-        20.0000       196.3126        281.00
-        30.0000       189.6130        291.00
-        50.0000       207.9804        301.00
-        70.0000       202.0866        311.00
-       120.0000       246.0281        321.00
-       153.0000       224.7617        331.00
+        11.0000       210.0598          0.00
+        15.0000       196.5971          0.00
+        20.0000       196.3124          0.00
+        30.0000       189.6129          0.00
+        50.0000       207.9771          0.00
+        70.0000       202.0884          0.00
+       120.0000       246.0258          0.00
+       153.0000       224.7353          0.00
 ! 
 ! Excluded regions (LowT  HighT) for Pattern#  1
         0.00       10.00
       155.45      180.00
 ! 
 !
-      33    !Number of refined parameters
+       0    !Number of refined parameters
 !
 !  Zero    Code    SyCos    Code   SySin    Code  Lambda     Code MORE ->Patt# 1
- -0.14357   81.0  0.00000    0.0  0.00000    0.0 0.000000    0.00   0
+ -0.14357    0.0  0.00000    0.0  0.00000    0.0 0.000000    0.00   0
 !-------------------------------------------------------------------------------
 !  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   0.0000
 !-------------------------------------------------------------------------------
- PbSO4                       VARY xyz b          BKG blue
+PbSO4
 !
 !Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth       ATZ    Nvk Npr More
    5   0   0 0.0 0.0 1.0   0   0   0   0   0       1213.030   0   7   1
@@ -53,26 +53,26 @@ O-2
 !
 P n m a                  <--Space group symbol
 !Atom   Typ       X        Y        Z     Biso       Occ     In Fin N_t Spc /Codes
-Pb     PB      0.18754  0.25000  0.16709  1.38041   0.50000   0   0   0    1  #color cyan
-                171.00     0.00   181.00    41.00      0.00
-S      S       0.06532  0.25000  0.68401  0.36153   0.50000   0   0   0    2  #radius 0.5  color green
-                191.00     0.00   201.00    51.00      0.00
-O1     O       0.90822  0.25000  0.59542  2.03647   0.50000   0   0   0    3  #conn S O 0 2.2
-                211.00     0.00   221.00    61.00      0.00
-O2     O       0.19390  0.25000  0.54359  1.50403   0.50000   0   0   0    3  
-                231.00     0.00   241.00    71.00      0.00
-O3     O       0.08114  0.02713  0.80863  1.34335   1.00000   0   0   0    3  
-                251.00   161.00    31.00    21.00      0.00
+Pb     PB      0.18754  0.25000  0.16709  1.38058   0.50000   0   0   0    1  #color cyan
+                  0.00     0.00     0.00     0.00      0.00
+S      S       0.06532  0.25000  0.68401  0.36192   0.50000   0   0   0    2  #radius 0.5  color green
+                  0.00     0.00     0.00     0.00      0.00
+O1     O       0.90822  0.25000  0.59542  2.03661   0.50000   0   0   0    3  #conn S O 0 2.2
+                  0.00     0.00     0.00     0.00      0.00
+O2     O       0.19390  0.25000  0.54359  1.50417   0.50000   0   0   0    3  
+                  0.00     0.00     0.00     0.00      0.00
+O3     O       0.08114  0.02713  0.80863  1.34347   1.00000   0   0   0    3  
+                  0.00     0.00     0.00     0.00      0.00
 !-------> Profile Parameters for Pattern #   1  ----> Phase #   1
 !  Scale          Shape1      Bov      Str1      Str2      Str3   Strain-Model
-  1.467791       0.00000   0.00000   0.00000   0.00000   0.00000       0
-      11.00000     0.000     0.000     0.000     0.000     0.000
+  1.467900       0.00000   0.00000   0.00000   0.00000   0.00000       0
+       0.00000     0.000     0.000     0.000     0.000     0.000
 !       U            V            W             X            Y         GauSiz      LorSiz    Size-Model
-     0.139504    -0.414070     0.388228     0.000000     0.086387     0.000000     0.000000       0
-       121.00       131.00       141.00         0.00       151.00         0.00         0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
-   8.477994   5.396484   6.957715  90.000000  90.000000  90.000000   #box -0.25 1.25 -0.15 1.15 -0.15 1.15
-   91.00000  101.00000  111.00000    0.00000    0.00000    0.00000
+     0.139488    -0.414074     0.388200     0.000000     0.086383     0.000000     0.000000       0
+         0.00         0.00         0.00         0.00         0.00         0.00         0.00
+!     a          b         c        alpha      beta       gamma      # Cell Info
+   8.477992   5.396482   6.957715  90.000000  90.000000  90.000000   #box -0.25 1.25 -0.15 1.15 -0.15 1.15
+    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 !  Pref1    Pref2      Asy1     Asy2     Asy3     Asy4      S_L      D_L
   0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000
      0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.prf b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.prf
index 81b29bde8..c5ca8f779 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.prf
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.prf
@@ -1,786 +1,3171 @@
- PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)    CELL:    8.47799   5.39648   6.95771   90.0000   90.0000   90.0000   SPGR: P n m a                TEMP:      0.00
-3111   1.0000  -0.1436
- 155.450  10.000 0.05000       8       0
-  1   2910   1.91200   1.91200  -0.14357   0.00000   0.00000
-  217    0
- 220.00  214.00  219.00  224.00  198.00  229.00  224.00  216.00
- 202.00  229.00  202.00  215.00  215.00  196.00  235.00  207.00
- 205.00  238.00  202.00  213.00  226.00  198.00  222.00  186.00
- 216.00  218.00  225.00  200.00  196.00  224.00  199.00  204.00
- 189.00  211.00  190.00  184.00  204.00  204.00  219.00  207.00
- 227.00  211.00  193.00  206.00  208.00  191.00  194.00  185.00
- 200.00  203.00  197.00  203.00  200.00  200.00  205.00  208.00
- 205.00  201.00  221.00  218.00  218.00  216.00  202.00  206.00
- 197.00  210.00  199.00  219.00  192.00  211.00  199.00  196.00
- 195.00  203.00  202.00  200.00  199.00  191.00  204.00  191.00
- 200.00  199.00  197.00  202.00  210.00  202.00  198.00  191.00
- 194.00  198.00  194.00  193.00  212.00  214.00  197.00  195.00
- 205.00  209.00  203.00  197.00  191.00  192.00  215.00  194.00
- 189.00  188.00  202.00  201.00  198.00  208.00  197.00  187.00
- 187.00  190.00  197.00  200.00  193.00  180.00  194.00  206.00
- 195.00  193.00  205.00  194.00  196.00  194.00  199.00  207.00
- 188.00  203.00  188.00  180.00  198.00  200.00  201.00  210.00
- 206.00  189.00  194.00  187.00  195.00  201.00  197.00  206.00
- 208.00  199.00  192.00  193.00  204.00  201.00  200.00  177.00
- 193.00  199.00  201.00  194.00  184.00  192.00  199.00  190.00
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- 198.00  195.00  198.00  191.00  193.00  197.00  194.00  187.00
- 209.00  187.00  198.00  206.00  197.00  191.00  200.00  207.00
- 205.00  198.00  196.00  209.00  211.00  203.00  200.00  192.00
- 208.00  213.00  221.00  216.00  226.00  228.00  228.00  215.00
- 224.00  226.00  213.00  239.00  250.00  247.00  240.00  231.00
- 236.00  223.00  231.00  226.00  214.00  208.00  214.00  196.00
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- 189.00  182.00  184.00  185.00  195.00  190.00  194.00  185.00
- 183.00  193.00  194.00  193.00  188.00  191.00  189.00  188.00
- 201.00  195.00  205.00  200.00  200.00  192.00  197.00  204.00
- 207.00  192.00  201.00  190.00  195.00  194.00  182.00  189.00
- 196.00  196.00  200.00  190.00  183.00  199.00  187.00  196.00
- 191.00  191.00  195.00  194.00  192.00  182.00  188.00  203.00
- 187.00  192.00  206.00  201.00  184.00  192.00  205.00  196.00
- 193.00  194.00  195.00  194.00  201.00  193.00  176.00  187.00
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- 202.00  201.00  197.00  204.00  208.00  206.00  212.00  207.00
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- 220.00  229.00  236.00  254.00  264.00  280.00  289.00  289.00
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- 256.00  272.00  289.00  311.00  340.00  363.00  393.00  440.00
- 474.00  482.00  492.00  508.00  494.00  475.00  439.00  413.00
- 368.00  331.00  299.00  286.00  262.00  241.00  238.00  252.00
- 267.00  276.00  278.00  300.00  325.00  336.00  359.00  405.00
- 458.00  501.00  564.00  640.00  719.00  783.00  837.00  851.00
- 866.00  828.00  763.00  697.00  634.00  541.00  465.00  391.00
- 351.00  301.00  284.00  260.00  248.00  257.00  242.00  246.00
- 263.00  271.00  281.00  302.00  309.00  335.00  342.00  345.00
- 356.00  351.00  341.00  334.00  321.00  286.00  268.00  256.00
- 238.00  229.00  218.00  223.00  216.00  203.00  203.00  194.00
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-1059.00 1196.00 1235.00 1220.00 1209.00 1128.00 1001.00  864.00
- 729.00  601.00  496.00  418.00  355.00  313.00  263.00  246.00
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-1187.00 1096.00  964.00  833.00  708.00  587.00  512.00  436.00
- 391.00  384.00  370.00  391.00  419.00  448.00  490.00  567.00
- 626.00  687.00  735.00  780.00  782.00  745.00  721.00  662.00
- 595.00  527.00  446.00  393.00  335.00  301.00  276.00  251.00
- 242.00  229.00  209.00  215.00  218.00  214.00  209.00  208.00
- 212.00  210.00  209.00  210.00  205.00  209.00  211.00  211.00
- 216.00  205.00  204.00  202.00  201.00  200.00  207.00  205.00
- 202.00  209.00  202.00  203.00  206.00  206.00  200.00  194.00
- 199.00  204.00  205.00  210.00  207.00  205.00  210.00  204.00
- 203.00  202.00  205.00  201.00  201.00  207.00  197.00  198.00
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- 210.00  212.00  214.00  215.00  217.00  210.00  214.00  215.00
- 215.00  215.00  217.00  222.00  231.00  247.00  252.00  273.00
- 304.00  332.00  366.00  408.00  463.00  532.00  619.00  734.00
- 828.00  944.00 1003.00 1055.00 1070.00 1018.00  944.00  833.00
- 725.00  633.00  507.00  445.00  379.00  347.00  316.00  282.00
- 267.00  269.00  281.00  288.00  300.00  327.00  346.00  380.00
- 400.00  430.00  453.00  459.00  451.00  427.00  402.00  375.00
- 344.00  309.00  277.00  265.00  246.00  246.00  230.00  223.00
- 227.00  225.00  217.00  217.00  223.00  223.00  220.00  223.00
- 226.00  248.00  258.00  274.00  297.00  324.00  355.00  393.00
- 458.00  528.00  589.00  688.00  781.00  840.00  876.00  874.00
- 832.00  765.00  682.00  613.00  524.00  455.00  408.00  384.00
- 366.00  375.00  392.00  426.00  470.00  519.00  588.00  639.00
- 681.00  704.00  693.00  650.00  600.00  540.00  478.00  412.00
- 376.00  345.00  330.00  337.00  350.00  383.00  426.00  493.00
- 571.00  676.00  803.00  920.00 1071.00 1183.00 1247.00 1255.00
-1251.00 1183.00 1068.00  945.00  861.00  811.00  813.00  872.00
- 969.00 1120.00 1309.00 1527.00 1706.00 1856.00 1888.00 1837.00
-1713.00 1500.00 1289.00 1103.00  904.00  749.00  627.00  568.00
- 551.00  560.00  586.00  634.00  691.00  751.00  799.00  792.00
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- 424.00  362.00  333.00  318.00  300.00  287.00  265.00  266.00
- 262.00  263.00  255.00  270.00  278.00  289.00  317.00  343.00
- 400.00  468.00  561.00  695.00  873.00 1100.00 1372.00 1660.00
-1954.00 2224.00 2400.00 2459.00 2435.00 2245.00 1986.00 1671.00
-1358.00 1086.00  868.00  682.00  578.00  521.00  512.00  537.00
- 600.00  704.00  855.00 1032.00 1232.00 1466.00 1693.00 1866.00
-1966.00 2024.00 2016.00 1846.00 1667.00 1429.00 1179.00  950.00
- 763.00  599.00  484.00  404.00  351.00  304.00  284.00  273.00
- 259.00  251.00  251.00  252.00  245.00  259.00  250.00  253.00
- 256.00  264.00  285.00  301.00  346.00  390.00  458.00  528.00
- 624.00  733.00  829.00  916.00  988.00  994.00  929.00  843.00
- 742.00  638.00  527.00  434.00  377.00  320.00  282.00  273.00
- 256.00  243.00  240.00  240.00  230.00  220.00  230.00  227.00
- 224.00  219.00  227.00  227.00  224.00  222.00  223.00  217.00
- 213.00  216.00  219.00  219.00  218.00  220.00  220.00  220.00
- 223.00  233.00  237.00  249.00  258.00  261.00  283.00  304.00
- 324.00  347.00  353.00  359.00  363.00  352.00  341.00  330.00
- 308.00  291.00  271.00  254.00  245.00  245.00  239.00  228.00
- 217.00  217.00  218.00  223.00  207.00  218.00  222.00  215.00
- 210.00  216.00  213.00  212.00  215.00  212.00  214.00  211.00
- 214.00  217.00  205.00  207.00  213.00  208.00  211.00  205.00
- 214.00  213.00  212.00  212.00  213.00  207.00  203.00  211.00
- 211.00  214.00  214.00  207.00  203.00  212.00  212.00  214.00
- 213.00  202.00  210.00  211.00  211.00  214.00  221.00  217.00
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- 202.68  202.51  202.34  202.17  202.01  201.84  201.67  201.50
- 201.33  201.17  201.00  200.83  200.66  200.49  200.33  200.16
- 199.99  199.82  199.65  199.49  199.32  199.15  198.98  198.81
- 198.66  198.49  198.32  198.16  197.99  197.82  197.65  197.48
- 197.32  197.15  196.98  196.81  196.65  196.64  196.64  196.64
- 196.64  196.63  196.63  196.63  196.63  196.63  196.62  196.62
- 196.62  196.62  196.62  196.61  196.61  196.61  196.61  196.63
- 196.63  196.63  196.63  196.63  196.63  196.62  196.62  196.62
- 196.62  196.62  196.62  196.62  196.61  196.61  196.61  196.61
- 196.61  196.61  196.61  196.61  196.61  196.61  196.61  196.61
- 196.60  196.60  196.61  196.61  196.61  196.61  196.61  196.61
- 196.61  196.61  196.61  196.62  196.62  196.62  196.62  196.62
- 196.63  196.63  196.63  196.63  196.64  196.64  196.65  196.65
- 196.66  196.67  196.67  196.68  196.69  196.70  196.71  196.72
- 196.74  196.75  196.77  196.79  196.81  196.83  196.86  196.89
- 196.92  196.97  197.02  197.09  197.18  197.31  197.51  197.80
- 198.26  198.94  199.95  201.40  203.41  206.10  209.54  213.77
- 218.71  224.22  229.93  235.50  240.45  244.27  246.48  246.79
- 245.16  241.79  237.11  231.64  225.86  220.21  215.01  210.49
- 206.74  203.76  201.49  199.82  198.64  197.82  197.27  196.89
- 196.63  196.44  196.31  196.20  196.11  196.03  195.96  195.89
- 195.83  195.77  195.72  195.66  195.61  195.56  195.52  195.47
- 195.43  195.38  195.34  195.30  195.26  195.22  195.18  195.14
- 195.10  195.06  195.03  194.99  194.96  194.92  194.89  194.85
- 194.82  194.78  194.75  194.71  194.68  194.65  194.62  194.58
- 194.55  194.52  194.49  194.46  194.43  194.40  194.37  194.34
- 194.31  194.28  194.29  194.26  194.24  194.21  194.18  194.15
- 194.13  194.10  194.08  194.05  194.03  194.00  193.98  193.96
- 193.93  193.91  193.90  193.88  193.86  193.85  193.84  193.83
- 193.83  193.85  193.87  193.92  194.01  194.15  194.37  194.72
- 195.24  195.99  197.00  198.31  199.95  201.88  204.05  206.34
- 208.59  210.61  212.18  213.11  213.28  212.68  211.40  209.58
- 207.42  205.12  202.85  200.75  198.91  197.37  196.14  195.19
- 194.49  193.98  193.63  193.38  193.21  193.09  193.01  192.94
- 192.90  192.85  192.82  192.79  192.76  192.74  192.72  192.70
- 192.68  192.67  192.66  192.65  192.64  192.64  192.64  192.64
- 192.64  192.65  192.66  192.68  192.71  192.74  192.78  192.84
- 192.92  193.03  193.20  193.47  193.89  194.53  195.50  196.93
- 198.96  201.73  205.35  209.86  215.21  221.20  227.50  233.65
- 239.08  243.16  245.37  245.37  243.17  239.11  233.73  227.65
- 221.43  215.54  210.31  205.92  202.45  199.84  198.00  196.79
- 196.11  195.88  196.05  196.67  197.86  199.78  202.72  206.97
- 212.86  220.74  230.67  242.56  256.05  270.43  284.68  297.52
- 307.53  313.43  314.39  310.25  301.72  290.02  276.57  262.71
- 249.59  238.04  228.60  221.57  217.10  215.30  216.34  220.58
- 228.51  240.82  258.16  281.02  309.47  342.91  379.91  418.15
- 454.51  485.30  506.75  515.81  511.09  493.37  465.36  430.73
- 393.24  356.21  322.22  292.92  269.14  250.97  238.03  229.76
- 225.61  225.33  229.07  237.51  251.81  273.62  304.73  346.80
- 400.85  466.68  542.49  624.49  706.89  782.26  842.21  878.78
- 886.36  863.71  814.47  745.74  665.89  582.96  503.63  432.71
- 373.04  325.61  290.04  265.12  249.20  240.73  238.44  241.38
- 248.90  260.43  275.35  292.76  311.41  329.66  345.59  357.16
- 362.64  361.06  352.64  338.65  320.96  301.55  282.20  264.32
- 248.76  235.99  226.04  218.66  213.44  209.90  207.61  206.18
- 205.33  204.87  204.65  204.59  204.65  204.79  205.00  205.28
- 205.62  206.04  206.53  207.10  207.77  208.55  209.52  210.65
- 212.06  213.93  216.54  220.40  226.30  235.48  249.72  271.39
- 303.43  349.04  411.22  492.06  591.81  708.19  835.65  965.45
-1085.69 1182.89 1243.88 1258.97 1225.61 1149.40 1041.83  916.53
- 786.55  662.60  552.24  459.78  386.37  330.99  291.09  263.53
- 245.15  233.24  225.62  220.75  217.56  215.40  213.85  212.68
- 211.75  211.01  210.38  209.86  209.43  209.08  208.79  208.57
- 208.40  208.28  208.22  208.20  208.23  208.30  208.41  208.57
- 208.79  209.05  209.36  209.73  210.16  210.66  211.23  211.90
- 212.66  213.54  214.58  215.83  217.39  219.43  222.26  226.42
- 232.83  242.79  258.15  281.56  316.18  365.38  432.29  518.83
- 624.91  747.42  879.76 1011.84 1130.56 1221.40 1270.91 1270.79
-1221.20 1130.74 1012.98  882.67  753.11  634.78  534.94  457.61
- 404.21  374.50  367.27  380.79  413.15  461.95  523.87  594.37
- 667.38  735.46  790.44  824.75  833.41  815.41  773.61  713.62
- 642.51  567.47  494.84  429.21  373.34  328.21  293.47  267.88
- 249.77  237.40  229.19  223.88  220.52  218.43  217.19  216.51
- 216.21  216.17  216.27  216.41  216.49  216.41  216.11  215.60
- 214.85  213.95  213.00  212.05  211.18  210.42  209.78  209.28
- 208.89  208.60  208.39  208.23  208.13  208.05  207.99  207.96
- 207.93  207.92  207.92  207.92  207.94  207.96  208.00  208.04
- 208.09  208.14  208.21  208.28  208.36  208.45  208.55  208.65
- 208.77  208.89  209.03  209.18  209.33  209.50  209.69  209.89
- 210.10  210.33  210.58  210.85  211.15  211.47  211.82  212.20
- 212.62  213.08  213.59  214.15  214.78  215.48  216.27  217.17
- 218.22  219.47  221.05  223.14  226.10  230.54  237.39  248.10
- 264.67  289.68  326.05  376.69  443.78  527.96  627.46  737.50
- 849.99  954.01 1036.83 1086.32 1094.47 1060.24  989.65  893.46
- 784.16  673.38  570.34  481.12  408.71  353.54  314.32  288.89
- 275.00  270.71  274.67  285.94  303.74  327.10  354.52  383.78
- 411.90  435.32  450.42  454.41  446.42  427.90  401.95  372.18
- 341.93  313.80  289.50  269.84  254.88  244.13  236.84  232.17
- 229.38  227.86  227.21  227.12  227.47  228.22  229.42  231.29
- 234.22  238.90  246.36  258.12  276.18  302.85  340.52  390.99
- 454.92  530.95  615.26  701.36  780.35  841.89  876.09  876.64
- 843.65  783.66  706.79  623.73  543.88  474.52  420.56  384.73
- 368.04  370.10  389.64  424.35  470.80  524.23  578.57  626.64
- 660.92  675.04  666.15  636.03  590.26  536.02  480.16  428.37
- 384.79  352.11  331.97  325.52  334.07  359.33  403.39  468.12
- 554.18  659.87  780.20  906.33 1025.72 1123.37 1184.30 1198.23
-1164.39 1092.82 1000.70  907.66  832.48  791.23  795.81  852.61
- 961.40 1114.66 1297.46 1487.99 1659.30 1782.50 1832.99 1798.93
-1686.56 1516.77 1316.47 1111.45  922.82  765.49  647.80  572.32
- 536.98  536.51  563.52  609.22  663.94  717.49  759.97  783.29
- 783.53  761.97  723.75  675.22  621.93  567.77  515.27  466.17
- 421.86  383.28  350.85  324.52  303.95  288.60  277.74  270.74
- 266.83  265.44  266.24  269.22  274.91  284.59  300.63  326.84
- 368.76  433.69  530.04  666.08  847.73 1075.78 1343.30 1633.77
-1920.95 2170.47 2344.42 2410.94 2356.56 2192.94 1951.03 1668.84
-1381.67 1117.19  893.67  720.40  599.72  529.67  506.86  528.41
- 592.73  698.89  845.17 1026.90 1234.64 1452.94 1660.44 1832.61
-1946.34 1985.25 1942.88 1823.95 1644.59 1428.99 1202.73  987.12
- 796.89  639.72  517.35  427.14  363.82  321.26  293.64  276.12
- 265.09  258.09  253.55  250.57  248.66  247.77  248.01  249.83
- 254.08  262.12  275.93  298.03  331.25  378.16  440.27  517.07
- 605.20  697.95  785.43  855.43  895.56  897.36  860.29  792.10
- 704.92  611.14  520.95  441.45  376.35  326.45  290.41  265.71
- 249.50  239.18  232.69  228.55  225.81  223.87  222.40  221.23
- 220.26  219.43  218.71  218.09  217.55  217.08  216.68  216.34
- 216.06  215.85  215.71  215.67  215.78  216.10  216.78  218.04
- 220.17  223.59  228.77  236.15  246.07  258.61  273.42  289.70
- 306.11  320.89  332.13  338.35  339.04  334.61  325.88  313.76
- 299.38  284.05  269.08  255.52  243.97  234.69  227.63  222.55
- 219.10  216.87  215.49  214.61  214.00  213.46  212.92  212.35
- 211.77  211.21  210.70  210.25  209.94  209.64  209.41  209.23
- 209.09  208.98  208.89  208.84  208.78  208.73  208.69  208.65
- 208.62  208.60  208.59  208.58  208.58  208.59  208.60  208.63
- 208.66  208.71  208.76  208.83  208.91  208.97  209.09  209.21
- 209.37  209.56  209.80  210.12  210.56  211.19  212.12  213.49
- 215.46  218.17  221.75  226.18  231.32  236.82  242.19  246.85
- 250.31  252.49  254.05  256.44  261.78  272.52  291.19  319.91
- 359.78  410.15  468.16  528.33  582.97  622.96  639.84  629.47
- 594.31  541.92  481.36  420.77  365.95  320.41  285.23  259.78
- 242.44  231.19  224.16  219.85  217.18  215.48  214.33  213.51
- 212.88  212.39  212.00  211.67  211.44  211.27  211.17  211.13
- 211.16  211.27  211.49  211.86  212.47  213.49  215.18  217.92
- 222.23  228.70  237.88  250.12  265.34  282.89  301.35  318.58
- 332.04  339.15  338.65  330.91  317.88  302.30  287.06  274.76
- 267.60  267.37  275.49  292.90  319.88  355.67  398.19  443.82
- 487.45  523.15  545.37  551.58  543.17  523.73  496.74  464.65
- 429.42  393.47  359.69  330.72  308.58  294.54  289.03  291.89
- 301.79  316.50  332.93  347.37  355.99  355.96  346.76  330.28
- 309.70  288.12  267.98  250.82  237.30  227.36  220.46  215.92
- 213.02  211.20  210.03  209.24  208.67  208.24  207.90  207.62
- 207.40  207.25  207.17  207.19  207.36  207.71  208.30  209.16
- 210.28  211.61  213.03  214.37  215.44  216.07  216.21  216.03
- 215.84  216.01  216.70  218.01  219.83  221.92  223.72  224.80
- 224.83  223.65  221.52  218.85  216.09  213.54  211.40  209.76
- 208.57  207.77  207.27  206.96  206.80  206.72  206.71  206.74
- 206.80  206.87  207.01  207.21  207.43  207.81  208.37  209.18
- 210.34  211.93  214.06  216.75  219.94  223.49  227.14  230.54
- 233.41  235.58  237.07  238.10  239.26  241.50  245.96  253.53
- 264.60  278.77  294.70  310.15  322.16  327.77  325.26  315.20
- 299.99  282.57  265.46  250.35  238.26  229.28  223.12  219.18
- 216.84  215.54  214.90  214.68  214.67  214.81  215.07  215.42
- 215.86  216.38  217.00  217.72  218.56  219.53  220.66  221.96
- 223.50  225.33  227.57  230.44  234.37  240.14  249.19  263.75
- 287.27  324.24  379.66  457.94  561.00  686.72  827.31  968.96
-1092.83 1178.53 1213.14 1199.06 1151.13 1085.50 1012.41  933.97
- 848.13  754.59  657.71  564.22  479.94  408.70  352.13  309.91
- 280.15  260.22  247.36  239.21  234.03  230.59  228.23  226.64
- 225.53  224.93  224.89  225.46  226.68  228.48  230.68  233.02
- 234.96  236.04  235.87  234.41  232.01  229.18  226.36  223.89
- 221.96  220.65  219.97  219.95  220.68  222.42  225.60  230.79
- 238.64  249.62  263.77  280.43  298.05  314.14  325.58  329.47
- 324.68  312.67  296.44  279.08  262.95  249.47  239.20  232.03
- 227.50  224.81  223.43  222.93  222.99  223.55  224.66  226.53
- 229.54  234.19  241.07  250.64  263.03  277.85  293.99  309.52
- 322.14  329.86  332.46  332.62  335.43  347.24  374.54  422.86
- 495.18  590.05  700.33  812.14  905.90  959.39  956.70  898.42
- 801.16  686.75  574.11  476.22  399.72  346.12  313.13  296.70
- 292.24  295.38  302.19  309.01  312.77  311.36  304.37  293.20
- 280.09  267.10  255.71  246.73  240.40  236.67  235.42  236.67
- 240.75  248.17  259.53  275.09  294.52  316.58  339.04  358.86
- 372.92  379.80  380.83  378.77  375.64  371.60  365.06  353.99
- 337.94  318.52  298.29  279.46  263.49  251.09  242.18  236.30
- 232.74  230.79  229.92  229.75  230.06  230.78  231.94  233.69
- 236.43  240.94  248.54  261.36  282.30  314.73  361.62  424.16
- 500.31  583.38  661.99  720.20  742.36  721.34  664.04  586.06
- 503.22  427.20  364.65  317.86  285.65  265.14  253.05  246.49
- 243.42  242.49  242.88  244.11  245.90  248.22  251.45  256.61
- 265.33  279.50  300.70  329.44  364.49  402.32  437.01  460.87
- 466.94  453.41  425.03  389.91  355.54  327.36  308.48  299.72
- 300.07  307.08  317.44  327.38  333.37  333.77  330.01  325.91
- 325.77  333.03  349.65  375.60  408.88  445.68  481.11  511.31
- 536.13  558.79  581.71  602.82  615.23  609.78  581.50  534.28
- 477.78  421.44  372.30  334.48  309.70  298.34  300.40  316.19
- 346.11  389.81  444.78  505.36  562.00  602.00  613.30  591.82
- 544.81  485.18  424.74  371.48  329.54  299.63  280.23  268.84
- 262.88  260.31  259.72  260.21  261.33  263.00  265.49  269.44
- 275.98  286.97  305.39  335.55  383.07  454.08  553.76  683.86
- 839.84 1008.41 1168.17 1294.84 1367.43 1373.14 1317.22 1225.43
-1128.10 1044.93  981.00  929.12  874.34  803.75  716.35  621.60
- 530.74  452.06  389.72  344.27  313.57  294.22  282.78  276.48
- 273.54  272.98  274.56  278.54  285.49  296.13  311.14  331.23
- 357.27  390.78  434.63  493.94  576.65  690.95  839.92 1016.38
-1199.74 1355.83 1444.83 1442.55 1355.47 1210.12 1038.26  871.30
- 734.26  641.88  598.79  601.55  640.36  699.56  758.33  792.88
- 784.75  732.38  650.83  559.49  473.57  402.06  348.14  310.82
- 286.72  271.90  262.98  257.53  254.10  251.92  250.67  250.40
- 251.42  254.36  260.22  269.61  283.33  301.28  322.14  343.03
- 359.60  367.10  363.22  350.27  333.35  317.18  304.63  296.54
- 291.90  288.49  284.04  277.61  269.80  261.87  254.74  249.00
- 244.82  242.07  240.47  239.69  239.49  239.72  240.35  241.49
- 243.42  246.65  251.95  260.25  272.41  288.82  308.91  330.82
- 351.13  365.42  370.20  365.88  356.74  347.97  343.14  343.45
- 347.66  352.65  355.17  354.75  355.27  363.76  388.97  440.18
- 525.48  648.31  803.64  974.82 1131.25 1231.63 1239.67 1151.82
-1000.24  826.94  663.85  529.36  429.67  362.17  319.85  294.73
- 280.21  271.76  266.67  263.52  261.64  260.81  261.11  262.96
- 267.32  275.86  291.15  316.45  354.90  408.26  474.78  547.90
- 615.18  659.29  664.34  627.92  563.61  489.64  420.03  362.72
- 320.36  291.85  274.11  263.74  257.91  254.71  253.00  252.22
- 252.09  252.55  253.65  255.65  259.11  265.12  275.73  294.08
- 324.30  370.68  435.74  518.15  610.32  696.98  755.83  765.61
- 722.19  642.65  550.49  463.83  392.97  341.32  307.48  287.46
- 276.67  271.15  267.89  265.05  261.97  258.87  256.32  254.90
- 255.21  257.94  263.67  272.78  285.05  299.39  313.54  324.06
- 327.46  322.74  312.54  301.13  292.43  289.67  295.61  312.46
- 341.52  382.14  430.63  479.43  516.96  530.57  515.38  479.09
- 434.95  393.47  360.27  336.48  320.03  308.25  299.99  295.82
- 296.81  303.58  315.58  330.67  344.83  352.75  350.29  337.96
- 320.10  301.42  285.16  272.92  265.38  262.47  264.19  270.84
- 282.93  300.63  323.05  347.68  369.67  382.50  381.02  366.00
- 343.46  319.67  299.04  283.78  274.34  269.98  269.34  270.79
- 272.70  273.62  272.87  270.84  268.44  266.47  265.40  265.46
- 266.74  269.17  272.92  278.34  286.17  297.42  313.68  336.32
- 366.57  405.61  454.80  517.06  598.78  713.28  878.39 1105.33
-1386.55 1686.17 1936.97 2051.77 1977.00 1744.14 1438.17 1135.65
- 884.18  703.72  592.90  537.52  517.20  511.02  501.90  482.40
- 454.86  424.49  394.62  366.61  341.22  319.37  301.67  288.04
- 278.01  270.92  266.12  263.01  261.22  260.62  261.39  263.98
- 269.03  277.19  288.76  303.28  319.13  333.47  343.03  345.32
- 340.29  330.91  320.99  312.69  306.07  299.41  291.39  282.28
- 273.30  265.56  259.64  255.71  253.53  252.62  252.39  252.18
- 251.57  250.44  249.07  247.74  246.64  245.86  245.42  245.30
- 245.48  245.97  246.74  247.81  249.11  250.54  251.90  252.96
- 253.64  254.12  254.67  255.85  258.04  261.97  268.90  280.82
- 300.28  329.99  371.61  424.13  482.36  535.89  569.63  571.96
- 546.06  507.30  470.22  442.56  424.64  411.08  394.87  373.42
- 349.60  327.59  310.47  299.82  295.88  297.93  304.50  313.87
- 324.52  336.42  352.16  375.26  407.24  445.44  482.18  505.00
- 502.35  473.90  430.54  384.41  343.55  311.67  289.21  274.70
- 265.88  260.70  257.63  255.74  254.51  253.69  253.15  252.84
- 252.71  252.75  252.96  253.33  253.87  254.59  255.52  256.71
- 258.23  260.20  262.85  266.56  271.86  279.61  290.95  307.46
- 331.29  365.05  411.22  471.52  546.33  632.72  720.10  787.48
- 808.61  772.07  694.04  602.66  520.22  459.37  424.26  412.49
- 416.99  427.59  432.88  424.76  403.92  377.34  352.24  333.65
- 324.66  326.90  340.69  364.88  396.37  429.27  454.39  461.62
- 447.29  417.86  383.48  351.66  326.45  309.22  299.61  296.83
- 300.69  312.38  334.69  371.57  426.61  500.82  589.95  682.08
- 755.65  784.35  755.29  682.30  591.77  505.05  434.13  383.62
- 353.48  341.86  347.45  370.47  411.92  471.82  546.47  626.11
- 692.82  723.22  703.05  641.17  560.38  480.30  412.45  361.18
- 326.02  303.92  291.24  285.03  283.46  285.72  291.45  300.24
- 311.05  321.81  329.29  330.18  323.80  312.56  300.14  288.83
- 279.86  273.82  270.79  270.76  273.88  280.48  290.88  304.78
- 321.07  337.14  348.74  351.37  343.80  329.35  312.72  297.31
- 284.88  275.98  270.18  266.83  265.15  264.56  264.66  265.25
- 266.23  267.60  269.38  271.68  274.69  278.73  284.41  292.73
- 305.21  324.16  352.59  394.14  452.46  529.53  623.89  729.43
- 836.47  929.80  984.39  975.21  900.85  787.51  666.20  558.32
- 474.56  418.29  388.28  381.18  393.10  419.67  455.40  492.32
- 519.18  524.45  504.50  466.78  422.62  380.73  345.87  319.70
- 301.59  289.95  282.84  278.67  276.34  275.17  274.84  275.26
- 276.57  279.15  283.76  291.70  304.84  325.40  355.37  395.65
- 444.67  497.29  543.70  570.30  566.51  534.41  486.69  436.67
- 393.16  361.04  342.15  336.47  342.86  359.40  383.18  409.76
- 432.62  443.69  437.73  416.91  388.46  359.28  333.68  313.60
- 299.40  290.29  285.15  282.90  282.86  284.84  289.15  296.61
- 308.48  326.27  351.60  385.42  427.11  473.71  519.91  559.06
- 583.11  583.58  558.25  515.06  466.09  420.81  384.78  360.22
- 347.22  344.54  350.34  362.81  380.42  402.26  429.06  464.10
- 511.37  572.20  642.85  712.67  764.11  777.82  746.44  681.35
- 602.29  525.63  461.39  414.52  386.39  376.32  382.61  403.03
- 434.72  473.56  513.42  546.07  563.69  564.77  556.27  548.00
- 546.30  552.03  560.08  561.04  546.05  513.91  471.19  426.21
- 384.89  350.51  324.07  305.04  292.07  283.53  277.96  274.26
- 271.71  269.88  268.51  267.48  266.73  266.21  265.93  265.91
- 266.20  266.89  268.07  269.81  272.29  275.44  279.13  283.05
- 286.69  289.42  290.91  291.47  292.02  293.76  298.04  306.48
- 321.06  343.97  377.29  422.24  478.28  542.47  608.02  664.13
- 697.53  699.59  673.25  630.37  583.01  539.57  504.96  481.05
- 466.82  458.63  452.33  446.04  441.11  440.25  445.43  457.22
- 474.35  493.17  507.99  513.19  506.45  488.98  463.43  433.11
- 401.99  373.52  349.85  331.84  319.50  312.50  310.59  313.89
- 323.13  339.61  364.96  400.70  447.38  504.02  567.13  630.09
- 682.86  713.77  715.78  692.19  654.53  615.19  583.13  562.78
- 554.68  556.63  565.18  576.33  585.09  585.47  572.22  544.26
- 505.83  463.35  422.36  386.29  356.85  334.39  318.32  307.68
- 301.34  298.39  298.26  301.06  307.22  317.76  334.07  357.67
- 389.83  431.04  480.47  535.41  590.70  638.51  669.48  676.57
- 660.13  628.24  591.84  560.35  539.99  533.83  541.91  561.57
- 587.74  613.06  628.82  627.74  608.02  574.24  534.02  494.28
- 459.97  434.03  417.76  411.27  414.07  425.68  446.34  476.85
- 517.65  567.86  624.33  681.24  729.83  759.69  762.87  738.18
- 691.60  632.23  568.49  506.73  451.41  404.91  367.91  339.89
- 319.49  305.20  295.52  289.25  285.52  283.79  283.77  285.37
- 288.62  293.62  300.43  309.08  319.57  331.80  345.53  360.63
- 377.27  396.16  418.18  443.52  471.29  499.08  522.89  537.68
- 538.96  525.37  499.44  465.99  429.84  394.82  363.34  336.71
- 315.31  298.88  286.73  277.96  271.67  267.20  263.94  261.51
- 259.65  258.19  257.02  256.08  255.32  254.73  254.27  253.94
- 253.72  253.59  253.54  253.56  253.64  253.74  253.85  253.97
- 254.09  254.24  254.44  254.71  255.01  255.49  256.10  256.85
- 257.80  258.97  260.43  262.31  264.77  268.07  272.60  278.87
- 287.55  299.42  315.36  336.22  362.67  395.01  433.05  475.95
- 521.90  568.00  610.24  644.19  666.24  675.08  671.74  658.28
- 636.42  607.18  571.66  531.89  490.63  450.56  413.68  381.21
- 353.67  331.10  313.15  299.29  288.87  281.25  275.80  272.02
- 269.48  267.87  266.99  266.68  266.85  267.43  268.40  269.70
- 271.33  273.27  275.55  278.26  281.58  285.90  291.77  299.90
- 311.12  326.30  346.24  371.60  402.59  439.03  480.07  524.12
- 568.75  610.44  645.04  668.10  676.16  668.14  645.94  613.59
- 575.76  536.72  499.80  467.55  441.52  422.53  410.78  405.90
- 407.34  414.19  425.61  440.92  459.47  480.51  502.90  525.01
- 544.57  558.89  565.35  562.11  548.94  527.24  499.50  468.44
- 436.48  405.49  376.85  351.44  329.66  311.59  297.01  285.55
- 276.78  270.15  265.21  261.54  258.84  256.84  255.38  254.32
- 253.60  253.17  253.01  253.11  253.46  254.05  254.87  255.89
- 257.08  258.39  259.76  261.12  262.39  263.53  264.53  265.46
- 266.44  267.63  269.17  271.19  273.72  276.69  280.11  283.77
- 287.39  290.67  293.23  294.70  294.84  293.56  291.02  287.52
- 283.44  279.14  274.97  271.22  268.10  265.77  264.41  264.06
- 264.75  266.46  269.10  272.58  276.71  281.28  286.03  290.62
- 294.70  297.86  299.74  300.10  298.85  296.14  292.23  287.50
- 282.30  276.94  271.68  266.73  262.22  258.22  254.79  251.92
- 249.58  247.71  246.27  245.17  244.37  243.80  243.40  243.11
- 242.96  242.90  242.89  242.94  243.02  243.13  243.28  243.45
- 243.66  243.90  244.20  244.56  245.01  245.55  246.23  247.07
- 248.10  249.44  251.13  253.25  255.91  259.22  263.31  268.28
- 274.26  281.33  289.58  299.01  309.59  321.24  333.74  346.87
- 360.26  373.47  385.99  397.27  406.75  413.94  418.50  420.31
- 419.55  416.66  412.28  407.14  402.00  397.51  394.20  392.48
- 392.60  394.69  398.75  404.65  412.16  420.94  430.58  440.67
- 450.82  460.80  470.50  479.97  489.42  499.03  508.96  519.21
- 529.64  539.96  549.73  558.43  565.48  570.35  572.61  571.88
- 567.94  560.66  550.07  536.41  520.07  501.63  481.76  461.19
- 440.59  420.57  401.61  384.10  368.32  354.43  342.50  332.52
- 324.41  318.02  313.17  309.63  307.14  305.43  304.30  303.48
- 302.78  302.03  301.15  300.08  298.86  297.54  296.22  295.02
- 294.05  293.38  293.10  293.24  293.83  294.84  296.23  297.92
- 299.80  301.74  303.59  305.18  306.32  306.87  306.70  305.74
- 304.00  301.51  298.38  294.74  290.74  286.51  282.19  277.88
- 273.70  269.73  266.05  262.69  259.71  257.13  254.97  253.25
- 251.97  251.13  250.74  250.80  251.31  252.28  253.72  255.64
- 258.04  260.94  264.34  268.25  272.63  277.47  282.74  288.38
- 294.32  300.48  306.73  312.97  319.03  324.77  329.99  334.51
- 338.16  340.75  342.18  342.35  341.26  338.96  335.56  331.22
- 326.10  320.40  314.30  307.97  301.55  295.19  288.99  283.05
- 277.44  272.21  267.41  263.04  259.13  255.65  252.60  249.95
- 247.67  245.70  244.06  242.69  241.55  240.61  239.84  239.21
- 238.71  238.30  237.96  237.70  237.51  237.39  237.31  237.26
- 237.25  237.26  237.29  237.35  237.43  237.53  237.65  237.80
- 237.97  238.16  238.38  238.64  238.92  239.24  239.60  240.01
- 240.46  240.97  241.54  242.17  242.88  243.67  244.55  245.52
- 246.61  247.81  249.15  250.63  252.27  254.09  256.10  258.31
- 260.75  263.43  266.38  269.59  273.11  276.94  281.09  285.59
- 290.45  295.68  301.30  307.30  313.71  224.82
- 159481985 159416705 159547520 159482241 159547521 159416450 159547776 159481986
- 159547777 159482242 159416960 159547522 159613057 159482497 159547778 159613313
- 159548032 159481987 159613058 159548033 159416962 159416707 159678592 159482498
- 159482243 159547523 159613314 159678593 159678848 159548034 159547779 159678849
- 159613569 159678594 159613059 159417217 159416452 159482499 159678850 159482753
- 159481988 159613570 159613315 159679104 159548288 159744129 159482244 159548035
- 159679105 159548289 159547524 159744385 159482754 159678595 159547780 159744130
- 159679106 159678851 159548290 159613571 159613825 159613060 159744386 159416964
- 159482500 159613316 159417219 159809664 159744641 159482755 159613826 159809665
- 159548036 159481989 159679360 159744131 159809920 159679107 159417472 159548291
- 159416709 159679361 159678596 159809921 159482245 159744642 159744387 159547525
- 159809666 159483009 159678852 159613572 159548544 159547781 159679362 159809922
- 159613827 159548545 159417474 159810176 159613061 159483010 159482756 159810177
- 159482501 159744643 159613317 159744897 159744132 159809667 159548546 159679108
- 159548292 159614081 159875201 159548037 159744388 159679363 159810178 159809923
- 159875457 159678597 159744898 159416454 159483011 159614082 159481990 159875202
- 159613828 159679616 159678853 159613573 159548547 159482246 159679617 159875458
- 159547526 159810432 159744644 159810179 159417221 159810433 159809668 159547782
- 159482757 159875713 159744899 159679618 159614083 159679364 159744133 159809924
- 159875203 159613062 159679109 159417729 159417476 159416966 159548293 159940736
- 159810434 159483265 159483012 159482502 159744389 159875714 159875459 159613318
- 159940737 159548800 159745153 159940992 159548801 159548548 159548038 159940993
- 159613829 159483266 159679619 159678598 159810180 159940738 159745154 159744900
- 159810435 159548802 159678854 159744645 159614337 159875715 159614084 159613574
- 159940994 159875969 159875204 159809669 159481991 159941248 159417731 159416711
- 159875460 159679365 159941249 159810688 159809925 159483267 159482247 159614338
- 159482758 159547527 159810689 159875970 159940739 159483013 159679872 159745155
- 159744134
-  20.477  25.911  26.068  29.068  30.625  31.901  33.331  34.560  37.084  40.468
-  41.502  41.648  42.831  46.706  46.805  47.887  49.668  50.599  51.677  52.450
-  53.280  53.315  53.622  55.077  55.112  56.051  56.129  56.265  57.971  60.252
-  60.285  60.489  61.164  63.764  64.450  66.587  66.680  67.438  67.709  68.166
-  68.257  68.344  68.375  69.999  70.526  70.945  72.081  72.098  72.285  72.805
-  72.894  74.710  75.010  75.328  76.622  77.690  78.988  79.017  79.493  79.617
-  80.301  80.387  81.348  81.674  83.144  84.018  84.532  85.153  85.675  85.995
-  86.836  87.321  87.531  88.246  88.383  88.601  88.755  89.873  90.244  90.369
-  90.385  90.547  90.632  90.919  91.843  92.170  92.198  92.618  93.815  93.867
-  94.232  94.823  96.083  96.226  97.055  97.430  97.677  98.264  98.933  99.589
-  99.953 100.412 101.213 101.790 102.736 103.100 103.627 103.793 103.881 104.793
- 104.893 105.194 105.709 105.717 106.491 107.262 107.618 108.156 108.518 108.548
- 110.281 110.539 110.591 111.057 111.685 112.592 112.627 113.400 113.447 114.277
- 114.432 115.081 116.475 116.583 116.673 117.381 117.453 118.712 119.404 120.424
- 120.587 121.209 121.308 121.587 122.295 122.339 122.717 124.207 124.957 125.164
- 125.431 125.620 125.869 126.028 127.007 127.366 127.473 127.616 127.631 128.871
- 129.156 129.223 129.332 129.479 129.978 130.406 130.444 130.613 131.707 132.134
- 132.671 133.657 135.124 135.244 135.405 136.727 137.538 138.212 138.675 140.013
- 140.417 141.133 142.284 143.590 145.107 145.276 145.992 146.180 146.697 146.824
- 146.852 147.060 147.285 148.077 148.238 149.257 151.115 151.478 155.364 155.912
- 155.924 156.312 156.404 156.891 157.254 159.132 159.777 161.633 161.736 162.153
- 163.240 164.161 165.329 166.816 167.432 168.478 174.307
-       2
-    0.00   10.00
-  155.45  180.00
+IGOR
+WAVES     TwoTheta,       Iobs,   Icalc,  Diff
+BEGIN
+      10.000      220.00      210.07        9.93
+      10.050      214.00      210.07        3.93
+      10.100      219.00      210.07        8.93
+      10.150      224.00      210.07       13.93
+      10.200      198.00      210.07      -12.07
+      10.250      229.00      210.07       18.93
+      10.300      224.00      210.07       13.93
+      10.350      216.00      210.07        5.93
+      10.400      202.00      210.07       -8.07
+      10.450      229.00      210.07       18.93
+      10.500      202.00      210.07       -8.07
+      10.550      215.00      210.07        4.93
+      10.600      215.00      210.07        4.93
+      10.650      196.00      210.07      -14.07
+      10.700      235.00      210.07       24.93
+      10.750      207.00      210.07       -3.07
+      10.800      205.00      210.07       -5.07
+      10.850      238.00      210.07       27.93
+      10.900      202.00      210.07       -8.07
+      10.950      213.00      210.07        2.93
+      11.000      226.00      210.07       15.93
+      11.050      198.00      209.90      -11.90
+      11.100      222.00      209.73       12.27
+      11.150      186.00      209.56      -23.56
+      11.200      216.00      209.40        6.60
+      11.250      218.00      209.23        8.77
+      11.300      225.00      209.06       15.94
+      11.350      200.00      208.89       -8.89
+      11.400      196.00      208.73      -12.73
+      11.450      224.00      208.56       15.44
+      11.500      199.00      208.39       -9.39
+      11.550      204.00      208.22       -4.22
+      11.600      189.00      208.05      -19.05
+      11.650      211.00      207.88        3.12
+      11.700      190.00      207.72      -17.72
+      11.750      184.00      207.55      -23.55
+      11.800      204.00      207.38       -3.38
+      11.850      204.00      207.21       -3.21
+      11.900      219.00      207.04       11.96
+      11.950      207.00      206.88        0.12
+      12.000      227.00      206.71       20.29
+      12.050      211.00      206.54        4.46
+      12.100      193.00      206.37      -13.37
+      12.150      206.00      206.20       -0.20
+      12.200      208.00      206.04        1.96
+      12.250      191.00      205.87      -14.87
+      12.300      194.00      205.70      -11.70
+      12.350      185.00      205.53      -20.53
+      12.400      200.00      205.36       -5.36
+      12.450      203.00      205.19       -2.19
+      12.500      197.00      205.03       -8.03
+      12.550      203.00      204.86       -1.86
+      12.600      200.00      204.69       -4.69
+      12.650      200.00      204.52       -4.52
+      12.700      205.00      204.35        0.65
+      12.750      208.00      204.19        3.81
+      12.800      205.00      204.02        0.98
+      12.850      201.00      203.85       -2.85
+      12.900      221.00      203.68       17.32
+      12.950      218.00      203.51       14.49
+      13.000      218.00      203.35       14.65
+      13.050      216.00      203.18       12.82
+      13.100      202.00      203.01       -1.01
+      13.150      206.00      202.85        3.15
+      13.200      197.00      202.68       -5.68
+      13.250      210.00      202.51        7.49
+      13.300      199.00      202.34       -3.34
+      13.350      219.00      202.17       16.83
+      13.400      192.00      202.01      -10.01
+      13.450      211.00      201.84        9.16
+      13.500      199.00      201.67       -2.67
+      13.550      196.00      201.50       -5.50
+      13.600      195.00      201.33       -6.33
+      13.650      203.00      201.17        1.83
+      13.700      202.00      201.00        1.00
+      13.750      200.00      200.83       -0.83
+      13.800      199.00      200.66       -1.66
+      13.850      191.00      200.49       -9.49
+      13.900      204.00      200.33        3.67
+      13.950      191.00      200.16       -9.16
+      14.000      200.00      199.99        0.01
+      14.050      199.00      199.82       -0.82
+      14.100      197.00      199.65       -2.65
+      14.150      202.00      199.49        2.51
+      14.200      210.00      199.32       10.68
+      14.250      202.00      199.15        2.85
+      14.300      198.00      198.98       -0.98
+      14.350      191.00      198.81       -7.81
+      14.400      194.00      198.66       -4.66
+      14.450      198.00      198.49       -0.49
+      14.500      194.00      198.32       -4.32
+      14.550      193.00      198.16       -5.16
+      14.600      212.00      197.99       14.01
+      14.650      214.00      197.82       16.18
+      14.700      197.00      197.65       -0.65
+      14.750      195.00      197.48       -2.48
+      14.800      205.00      197.32        7.68
+      14.850      209.00      197.15       11.85
+      14.900      203.00      196.98        6.02
+      14.950      197.00      196.81        0.19
+      15.000      191.00      196.65       -5.65
+      15.050      192.00      196.64       -4.64
+      15.100      215.00      196.64       18.36
+      15.150      194.00      196.64       -2.64
+      15.200      189.00      196.64       -7.64
+      15.250      188.00      196.63       -8.63
+      15.300      202.00      196.63        5.37
+      15.350      201.00      196.63        4.37
+      15.400      198.00      196.63        1.37
+      15.450      208.00      196.63       11.37
+      15.500      197.00      196.62        0.38
+      15.550      187.00      196.62       -9.62
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+     166.673        -81
+     167.289        -81
+     168.335        -81
+     174.164        -81
+END
+WAVES Excrg1, excl1
+BEGIN
+       10.00        -81
+       10.00        -81
+END
+WAVES Excrg2, excl2
+BEGIN
+      155.45        -81
+      155.45        -81
+END
+X Silent 1
+X DefaultFont Times
+X Display Iobs, Icalc, Diff vs TwoTheta
+X Modify mode(Iobs)=2, rgb(Iobs)=(0,0,0), rgb(Diff)=(3800,44400,4000)
+X SetAxis bottom    10.00,   155.45
+X Modify lsize(Iobs)=2
+X Modify offset(Diff)={0,   -202}
+X Modify wbRGB=(48483,64909,65535), gbRGB=(64612,65535,49415)
+X Modify mirror(left)=2, mirror(bottom)=2
+X Modify gfSize=12
+X Append excl1 vs Excrg1
+X Modify mode(excl1)=7, hbFill(excl1)=4
+X Modify rgb(excl1)=(6421,62320,64794)
+X Append excl2 vs Excrg2
+X Modify mode(excl2)=7, hbFill(excl2)=4
+X Modify rgb(excl2)=(6421,62320,64794)
+X Append tik1 vs Phase1
+X Modify mode(tik1)=1
+X TextBox /F=2/S=3/A=RT "Files: pbso4\rDate of fit: \Z09 09/06/2026/ 12:49:24.2\Z12\rPbSO4\rChi2 =    4.72"
+X Label left "\Z14Intensity"
+X Label bottom "\Z142-Theta (in degrees)"
+X TileWindows/O=1/C
+X ShowInfo
+X | Title of data set:  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+X | Date of run: 09/06/2026 / 12:49:24.2
+X Beep
+X Beep
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.rpa b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.rpa
index 6e928b7a9..ea2572edf 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.rpa
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.rpa
@@ -5373,3 +5373,729 @@ SOLV     6.54    8.53   10.03
 SCOR       2.8394
 SCOR1              4.62            3.96            3.62
 --------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 00:23:30.276                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0     1
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    1     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18754   0.25000   0.16709   1.38049   0.50000  0  0    1
+SIGM        0.00010   0.00000   0.00016   0.02603   0.00000
+ATOM S        0.06532   0.25000   0.68401   0.36164   0.50000  0  0    2
+SIGM        0.00032   0.00000   0.00042   0.04684   0.00000
+ATOM O1       0.90822   0.25000   0.59542   2.03655   0.50000  0  0    3
+SIGM        0.00022   0.00000   0.00022   0.03772   0.00000
+ATOM O2       0.19390   0.25000   0.54359   1.50410   0.50000  0  0    3
+SIGM        0.00021   0.00000   0.00026   0.03545   0.00000
+ATOM O3       0.08114   0.02713   0.80863   1.34344   1.00000  0  0    3
+SIGM        0.00013   0.00018   0.00016   0.02593   0.00000
+CELL    8.47799   5.39648   6.95772  90.00000  90.00000  90.00000
+SIGM    0.00005   0.00003   0.00005   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.467828155   0.005736068
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1395   0.0032  -0.4141   0.0073   0.3882   0.0045
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0864   0.0023
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.14357   0.00099
+RFAR   3.465      4.237      1.940      4.771    
+RFAC   8.182      7.900      3.617      4.771        2876
+DEVA   2324.     0.8077     0.3065      1.908    
+RFBR   3.465      4.237      1.940      4.771    
+RFBC   8.182      7.900      3.617      4.771        2876
+DEVB   2324.     0.8077     0.3065      1.908    
+BRAG1    3.624    2.318     318.325     100.000    1213.030       1.000
+EXRP    1.774   1.953
+REFL   199  104.59  136.52  160.50
+REFP     9    8   16
+SOLV     6.54    8.53   10.03
+SCOR       2.8393
+SCOR1              4.62            3.96            3.62
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 00:25:05.103                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0     1
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    1     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18754   0.25000   0.16709   1.38056   0.50000  0  0    1
+SIGM        0.00010   0.00000   0.00016   0.02603   0.00000
+ATOM S        0.06532   0.25000   0.68401   0.36173   0.50000  0  0    2
+SIGM        0.00032   0.00000   0.00042   0.04684   0.00000
+ATOM O1       0.90822   0.25000   0.59542   2.03660   0.50000  0  0    3
+SIGM        0.00022   0.00000   0.00022   0.03772   0.00000
+ATOM O2       0.19390   0.25000   0.54359   1.50416   0.50000  0  0    3
+SIGM        0.00021   0.00000   0.00026   0.03545   0.00000
+ATOM O3       0.08114   0.02713   0.80863   1.34351   1.00000  0  0    3
+SIGM        0.00013   0.00018   0.00016   0.02592   0.00000
+CELL    8.47799   5.39648   6.95772  90.00000  90.00000  90.00000
+SIGM    0.00005   0.00003   0.00005   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.467857718   0.005736095
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1395   0.0032  -0.4141   0.0073   0.3882   0.0045
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0864   0.0023
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.14357   0.00099
+RFAR   3.465      4.237      1.940      4.771    
+RFAC   8.182      7.900      3.617      4.771        2876
+DEVA   2324.     0.8077     0.3065      1.908    
+RFBR   3.465      4.237      1.940      4.771    
+RFBC   8.182      7.900      3.617      4.771        2876
+DEVB   2324.     0.8077     0.3065      1.908    
+BRAG1    3.624    2.318     318.325     100.000    1213.030       1.000
+EXRP    1.726   2.007
+REFL   199  104.59  136.52  160.50
+REFP     9    8   16
+SOLV     6.54    8.53   10.03
+SCOR       2.8388
+SCOR1              4.62            3.96            3.62
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 00:25:29.018                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0     1
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    1     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18754   0.25000   0.16709   1.38061   0.50000  0  0    1
+SIGM        0.00010   0.00000   0.00016   0.02602   0.00000
+ATOM S        0.06532   0.25000   0.68401   0.36180   0.50000  0  0    2
+SIGM        0.00032   0.00000   0.00042   0.04684   0.00000
+ATOM O1       0.90822   0.25000   0.59542   2.03664   0.50000  0  0    3
+SIGM        0.00022   0.00000   0.00022   0.03772   0.00000
+ATOM O2       0.19390   0.25000   0.54359   1.50420   0.50000  0  0    3
+SIGM        0.00021   0.00000   0.00026   0.03545   0.00000
+ATOM O3       0.08114   0.02713   0.80863   1.34357   1.00000  0  0    3
+SIGM        0.00013   0.00017   0.00016   0.02592   0.00000
+CELL    8.47799   5.39648   6.95772  90.00000  90.00000  90.00000
+SIGM    0.00005   0.00003   0.00005   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.467881441   0.005736064
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1395   0.0032  -0.4141   0.0073   0.3882   0.0045
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0864   0.0023
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.14357   0.00099
+RFAR   3.465      4.237      1.940      4.771    
+RFAC   8.182      7.900      3.617      4.771        2876
+DEVA   2324.     0.8078     0.3065      1.908    
+RFBR   3.465      4.237      1.940      4.771    
+RFBC   8.182      7.900      3.617      4.771        2876
+DEVB   2324.     0.8078     0.3065      1.908    
+BRAG1    3.624    2.318     318.325     100.000    1213.030       1.000
+EXRP    1.744   1.986
+REFL   199  104.59  136.52  160.50
+REFP     9    8   16
+SOLV     6.54    8.53   10.03
+SCOR       2.8388
+SCOR1              4.62            3.96            3.62
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 00:26:05.585                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0    -3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3   -3     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18754   0.25000   0.16709   1.38065   0.50000  0  0    1
+SIGM        0.00010   0.00000   0.00016   0.02602   0.00000
+ATOM S        0.06532   0.25000   0.68401   0.36186   0.50000  0  0    2
+SIGM        0.00032   0.00000   0.00042   0.04684   0.00000
+ATOM O1       0.90822   0.25000   0.59542   2.03667   0.50000  0  0    3
+SIGM        0.00022   0.00000   0.00022   0.03772   0.00000
+ATOM O2       0.19390   0.25000   0.54359   1.50423   0.50000  0  0    3
+SIGM        0.00021   0.00000   0.00026   0.03544   0.00000
+ATOM O3       0.08114   0.02713   0.80863   1.34361   1.00000  0  0    3
+SIGM        0.00013   0.00017   0.00016   0.02592   0.00000
+CELL    8.47799   5.39648   6.95772  90.00000  90.00000  90.00000
+SIGM    0.00005   0.00003   0.00005   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.467899561   0.005736060
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1395   0.0032  -0.4141   0.0073   0.3882   0.0045
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0864   0.0023
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.14357   0.00099
+RFAR   3.465      4.237      1.940      4.771    
+RFAC   8.182      7.900      3.617      4.771        2876
+DEVA   2324.     0.8078     0.3065      1.908    
+RFBR   3.465      4.237      1.940      4.771    
+RFBC   8.182      7.900      3.617      4.771        2876
+DEVB   2324.     0.8078     0.3065      1.908    
+BRAG1    3.624    2.318     318.325     100.000    1213.030       1.000
+EXRP    1.740   1.991
+REFL   199  104.59  136.52  160.50
+REFP     9    8   16
+SOLV     6.54    8.53   10.03
+SCOR       2.8388
+SCOR1              4.62            3.96            3.62
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 10:26:02.776                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18754   0.25000   0.16709   1.38060   0.50000  0  0    1
+SIGM        0.00010   0.00000   0.00016   0.01844   0.00000
+ATOM S        0.06532   0.25000   0.68401   0.36184   0.50000  0  0    2
+SIGM        0.00031   0.00000   0.00041   0.04480   0.00000
+ATOM O1       0.90822   0.25000   0.59542   2.03664   0.50000  0  0    3
+SIGM        0.00021   0.00000   0.00022   0.03393   0.00000
+ATOM O2       0.19390   0.25000   0.54359   1.50420   0.50000  0  0    3
+SIGM        0.00021   0.00000   0.00026   0.03186   0.00000
+ATOM O3       0.08114   0.02713   0.80863   1.34355   1.00000  0  0    3
+SIGM        0.00012   0.00017   0.00016   0.01853   0.00000
+CELL    8.47799   5.39648   6.95772  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.467900038   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1395   0.0000  -0.4141   0.0000   0.3882   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0864   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.14357   0.00000
+RFAR   3.465      4.237      1.943      4.756    
+RFAC   8.182      7.900      3.623      4.756        2885
+DEVA   2325.     0.8053     0.3065      1.901    
+RFBR   3.465      4.237      1.943      4.756    
+RFBC   8.182      7.900      3.623      4.756        2885
+DEVB   2325.     0.8053     0.3065      1.901    
+BRAG1    3.624    2.318     318.325     100.000    1213.030       1.000
+EXRP    1.721   2.013
+REFL   199  104.59  136.52  160.50
+REFP     8    0   16
+SOLV     6.54    8.53   10.03
+SCOR       2.8388
+SCOR1              4.63            3.97            3.62
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 12:34:09.773                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18754   0.25000   0.16709   1.38059   0.50000  0  0    1
+SIGM        0.00010   0.00000   0.00016   0.01752   0.00000
+ATOM S        0.06532   0.25000   0.68401   0.36187   0.50000  0  0    2
+SIGM        0.00031   0.00000   0.00041   0.04383   0.00000
+ATOM O1       0.90822   0.25000   0.59542   2.03663   0.50000  0  0    3
+SIGM        0.00021   0.00000   0.00022   0.03373   0.00000
+ATOM O2       0.19390   0.25000   0.54359   1.50419   0.50000  0  0    3
+SIGM        0.00021   0.00000   0.00026   0.03151   0.00000
+ATOM O3       0.08114   0.02713   0.80863   1.34352   1.00000  0  0    3
+SIGM        0.00012   0.00017   0.00016   0.01758   0.00000
+CELL    8.47799   5.39648   6.95772  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.467900038   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1395   0.0000  -0.4141   0.0000   0.3882   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0864   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.14357   0.00000
+RFAR   3.465      4.237      1.946      4.743    
+RFAC   8.183      7.900      3.628      4.743        2893
+DEVA   2325.     0.8032     0.3065      1.896    
+RFBR   3.465      4.237      1.946      4.743    
+RFBC   8.183      7.900      3.628      4.743        2893
+DEVB   2325.     0.8032     0.3065      1.896    
+BRAG1    3.624    2.318     318.325     100.000    1213.030       1.000
+EXRP    1.750   1.980
+REFL   199  104.59  136.52  160.50
+REFP     0    0   16
+SOLV     6.54    8.53   10.03
+SCOR       2.8388
+SCOR1              4.63            3.97            3.63
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 12:42:02.556                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18754   0.25000   0.16709   1.38058   0.50000  0  0    1
+SIGM        0.00010   0.00000   0.00016   0.01752   0.00000
+ATOM S        0.06532   0.25000   0.68401   0.36190   0.50000  0  0    2
+SIGM        0.00031   0.00000   0.00041   0.04383   0.00000
+ATOM O1       0.90822   0.25000   0.59542   2.03662   0.50000  0  0    3
+SIGM        0.00021   0.00000   0.00022   0.03373   0.00000
+ATOM O2       0.19390   0.25000   0.54359   1.50418   0.50000  0  0    3
+SIGM        0.00021   0.00000   0.00026   0.03152   0.00000
+ATOM O3       0.08114   0.02713   0.80863   1.34349   1.00000  0  0    3
+SIGM        0.00012   0.00017   0.00016   0.01758   0.00000
+CELL    8.47799   5.39648   6.95772  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.467900038   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1395   0.0000  -0.4141   0.0000   0.3882   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0864   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.14357   0.00000
+RFAR   3.465      4.237      1.946      4.743    
+RFAC   8.183      7.900      3.628      4.743        2893
+DEVA   2325.     0.8034     0.3065      1.896    
+RFBR   3.465      4.237      1.946      4.743    
+RFBC   8.183      7.900      3.628      4.743        2893
+DEVB   2325.     0.8034     0.3065      1.896    
+BRAG1    3.624    2.318     318.325     100.000    1213.030       1.000
+EXRP    1.708   2.029
+REFL   199  104.59  136.52  160.50
+REFP     0    0   16
+SOLV     6.54    8.53   10.03
+SCOR       2.8388
+SCOR1              4.63            3.97            3.63
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 12:46:10.629                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18754   0.25000   0.16709   1.38058   0.50000  0  0    1
+SIGM        0.00010   0.00000   0.00016   0.01752   0.00000
+ATOM S        0.06532   0.25000   0.68401   0.36192   0.50000  0  0    2
+SIGM        0.00031   0.00000   0.00041   0.04383   0.00000
+ATOM O1       0.90822   0.25000   0.59542   2.03661   0.50000  0  0    3
+SIGM        0.00021   0.00000   0.00022   0.03373   0.00000
+ATOM O2       0.19390   0.25000   0.54359   1.50417   0.50000  0  0    3
+SIGM        0.00021   0.00000   0.00026   0.03152   0.00000
+ATOM O3       0.08114   0.02713   0.80863   1.34347   1.00000  0  0    3
+SIGM        0.00012   0.00017   0.00016   0.01758   0.00000
+CELL    8.47799   5.39648   6.95772  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.467900038   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1395   0.0000  -0.4141   0.0000   0.3882   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0864   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.14357   0.00000
+RFAR   3.465      4.237      1.946      4.743    
+RFAC   8.183      7.900      3.628      4.743        2893
+DEVA   2325.     0.8033     0.3065      1.896    
+RFBR   3.465      4.237      1.946      4.743    
+RFBC   8.183      7.900      3.628      4.743        2893
+DEVB   2325.     0.8033     0.3065      1.896    
+BRAG1    3.624    2.318     318.325     100.000    1213.030       1.000
+EXRP    1.743   1.988
+REFL   199  104.59  136.52  160.50
+REFP     0    0   16
+SOLV     6.54    8.53   10.03
+SCOR       2.8388
+SCOR1              4.63            3.97            3.63
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 12:47:30.625                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                       VA
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18754   0.25000   0.16709   1.38058   0.50000  0  0    1
+SIGM        0.00010   0.00000   0.00016   0.01752   0.00000
+ATOM S        0.06532   0.25000   0.68401   0.36194   0.50000  0  0    2
+SIGM        0.00031   0.00000   0.00041   0.04383   0.00000
+ATOM O1       0.90822   0.25000   0.59542   2.03660   0.50000  0  0    3
+SIGM        0.00021   0.00000   0.00022   0.03373   0.00000
+ATOM O2       0.19390   0.25000   0.54359   1.50417   0.50000  0  0    3
+SIGM        0.00021   0.00000   0.00026   0.03152   0.00000
+ATOM O3       0.08114   0.02713   0.80863   1.34345   1.00000  0  0    3
+SIGM        0.00012   0.00017   0.00016   0.01758   0.00000
+CELL    8.47799   5.39648   6.95772  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.467900038   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1395   0.0000  -0.4141   0.0000   0.3882   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0864   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.14357   0.00000
+RFAR   3.465      4.237      1.946      4.743    
+RFAC   8.183      7.900      3.628      4.743        2893
+DEVA   2325.     0.8033     0.3065      1.896    
+RFBR   3.465      4.237      1.946      4.743    
+RFBC   8.183      7.900      3.628      4.743        2893
+DEVB   2325.     0.8033     0.3065      1.896    
+BRAG1    3.624    2.318     318.325     100.000    1213.030       1.000
+EXRP    1.729   2.004
+REFL   199  104.59  136.52  160.50
+REFP     0    0   16
+SOLV     6.54    8.53   10.03
+SCOR       2.8388
+SCOR1              4.63            3.97            3.63
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 12:48:57.683                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                         
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18754   0.25000   0.16709   1.38058   0.50000  0  0    1
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM S        0.06532   0.25000   0.68401   0.36192   0.50000  0  0    2
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O1       0.90822   0.25000   0.59542   2.03661   0.50000  0  0    3
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O2       0.19390   0.25000   0.54359   1.50417   0.50000  0  0    3
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O3       0.08114   0.02713   0.80863   1.34347   1.00000  0  0    3
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+CELL    8.47799   5.39648   6.95772  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.467900038   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1395   0.0000  -0.4141   0.0000   0.3882   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0864   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.14357   0.00000
+RFAR   3.465      4.237      1.951      4.717    
+RFAC   8.183      7.900      3.638      4.717        2909
+DEVA   2325.     0.7989     0.3065      1.885    
+RFBR   3.465      4.237      1.951      4.717    
+RFBC   8.183      7.900      3.638      4.717        2909
+DEVB   2325.     0.7989     0.3065      1.885    
+BRAG1    3.624    2.318     318.325     100.000    1213.030       1.000
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 12:49:23.706                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                         
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18754   0.25000   0.16709   1.38058   0.50000  0  0    1
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM S        0.06532   0.25000   0.68401   0.36192   0.50000  0  0    2
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O1       0.90822   0.25000   0.59542   2.03661   0.50000  0  0    3
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O2       0.19390   0.25000   0.54359   1.50417   0.50000  0  0    3
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O3       0.08114   0.02713   0.80863   1.34347   1.00000  0  0    3
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+CELL    8.47799   5.39648   6.95772  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.467900038   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1395   0.0000  -0.4141   0.0000   0.3882   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0864   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.14357   0.00000
+RFAR   3.465      4.237      1.951      4.717    
+RFAC   8.183      7.900      3.638      4.717        2909
+DEVA   2325.     0.7989     0.3065      1.885    
+RFBR   3.465      4.237      1.951      4.717    
+RFBC   8.183      7.900      3.638      4.717        2909
+DEVB   2325.     0.7989     0.3065      1.885    
+BRAG1    3.624    2.318     318.325     100.000    1213.030       1.000
+--------------------------------------------------------------------------------
+TITL  PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
+FILES => PCR-file : pbso4
+FILES => DAT-files: pbso4                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                           
+DATE & TIME     Date: 09/06/2026  Time: 12:49:24.047                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1     1       7       8       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       0       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     2     1     0     1     0     4     0     0     2
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2    6     1     1     0     0     1     1
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     1
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     2     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    2     6     0     0     1
+DATT        0   0        0.00
+PHAS1 PbSO4                         
+SPGR P n m a             
+NATM    5
+COND    0   0   0   0
+ATOM Pb       0.18754   0.25000   0.16709   1.38058   0.50000  0  0    1
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM S        0.06532   0.25000   0.68401   0.36192   0.50000  0  0    2
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O1       0.90822   0.25000   0.59542   2.03661   0.50000  0  0    3
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O2       0.19390   0.25000   0.54359   1.50417   0.50000  0  0    3
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+ATOM O3       0.08114   0.02713   0.80863   1.34347   1.00000  0  0    3
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+CELL    8.47799   5.39648   6.95772  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    1.467900038   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.1395   0.0000  -0.4141   0.0000   0.3882   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+XYPA    0.0000   0.0000   0.0864   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -0.14357   0.00000
+RFAR   3.465      4.237      1.951      4.717    
+RFAC   8.183      7.900      3.638      4.717        2909
+DEVA   2325.     0.7989     0.3065      1.885    
+RFBR   3.465      4.237      1.951      4.717    
+RFBC   8.183      7.900      3.638      4.717        2909
+DEVB   2325.     0.7989     0.3065      1.885    
+BRAG1    3.624    2.318     318.325     100.000    1213.030       1.000
+--------------------------------------------------------------------------------
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.sum b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.sum
index de519631a..6b5cd2eab 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.sum
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.sum
@@ -1,17 +1,17 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 06/06/2026  Time: 22:35:37.957                              
+    Date: 09/06/2026  Time: 12:49:24.047                              
 
  => PCR file code: pbso4
- => DAT file code: pbso4.dat            -> Relative contribution: 1.0000                                                            
+ => DAT file code: pbso4                -> Relative contribution: 1.0000                                                            
  => Title: PbSO4 D1A(ILL),Rietveld Round Robin, R.J. Hill,JApC 25,589(1992)
 
  ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
@@ -30,16 +30,16 @@
  =>-------> Pattern#  1
  => Crystal Structure Refinement for phase: 1
  => The density (volumic mass) of phase 1 is:    6.328 g/cm3
- => Scor: 2.8394
+ => Scor: 2.8388
 
  ==> RESULTS OF REFINEMENT:
 
 
- => No. of fitted parameters:   33
+ => No. of fitted parameters:    0
 
 
 ------------------------------------------------------------------------------
- => Phase No.  1  PbSO4                       VARY xyz b P n m a             
+ => Phase No.  1 PbSO4                                   P n m a             
 ------------------------------------------------------------------------------
 
  =>  No. of reflections for pattern#:   1:   217  
@@ -48,28 +48,28 @@
  ==> ATOM PARAMETERS:
 
   Name      x     sx       y     sy       z      sz      B   sB   occ. socc.  Mult
- Pb      0.18754(  10)  0.25000(   0)  0.16709(  16)  1.380( 26)  0.500(  0)    4
- S       0.06532(  31)  0.25000(   0)  0.68401(  41)  0.362( 46)  0.500(  0)    4
- O1      0.90822(  21)  0.25000(   0)  0.59542(  22)  2.036( 37)  0.500(  0)    4
- O2      0.19390(  20)  0.25000(   0)  0.54359(  26)  1.504( 35)  0.500(  0)    4
- O3      0.08114(  12)  0.02713(  17)  0.80863(  16)  1.343( 25)  1.000(  0)    8
+ Pb      0.18754(   0)  0.25000(   0)  0.16709(   0)  1.381(  0)  0.500(  0)    4
+ S       0.06532(   0)  0.25000(   0)  0.68401(   0)  0.362(  0)  0.500(  0)    4
+ O1      0.90822(   0)  0.25000(   0)  0.59542(   0)  2.037(  0)  0.500(  0)    4
+ O2      0.19390(   0)  0.25000(   0)  0.54359(   0)  1.504(  0)  0.500(  0)    4
+ O3      0.08114(   0)  0.02713(   0)  0.80863(   0)  1.343(  0)  1.000(  0)    8
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
  => Cell parameters      :
-                              8.47799   0.00005
-                              5.39648   0.00003
-                              6.95771   0.00005
+                              8.47799   0.00000
+                              5.39648   0.00000
+                              6.95772   0.00000
                              90.00000   0.00000
                              90.00000   0.00000
                              90.00000   0.00000
  
- => overall scale factor :      1.467791200     0.005736221
+ => overall scale factor :   1.467900      0.000000    
  => Eta(p-v) or m(p-vii) :    0.00000   0.00000
  => Overall tem. factor  :    0.00000   0.00000
- => Halfwidth parameters :    0.13950   0.00325
-                             -0.41407   0.00726
-                              0.38823   0.00449
+ => Halfwidth parameters :    0.13949   0.00000
+                             -0.41407   0.00000
+                              0.38820   0.00000
  => Preferred orientation:    0.00000   0.00000
                               0.00000   0.00000
  => Asymmetry parameters :    0.00000   0.00000
@@ -77,7 +77,7 @@
                               0.00000   0.00000
                               0.00000   0.00000
  => X and y parameters   :    0.00000   0.00000
-                              0.08639   0.00228
+                              0.08638   0.00000
  => Strain parameters    :    0.00000   0.00000
                               0.00000   0.00000
                               0.00000   0.00000
@@ -85,161 +85,53 @@
                               0.00000   0.00000
 
  => Add. shape parameters: 
-                              0.00000   0.00000
-                              0.00000   0.00000
+                              0.00000       0.00000    
+                              0.00000       0.00000    
 
 
 
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:    -0.1436    0.0010
- => Background Parameters (linear interpolation)  ==>
-                                 210.060        4.07474    
-                                 196.597        2.94261    
-                                 196.313        1.88602    
-                                 189.613        1.29473    
-                                 207.980        1.26351    
-                                 202.087       0.676857    
-                                 246.028        1.28011    
-                                 224.762        1.96222    
+ => Zero-point:    -0.1436    0.0000
  => Cos(2theta)-shift parameter :   0.0000  0.0000
  => Sin(2theta)-shift parameter :   0.0000  0.0000
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
-  => Cycle:  6 => MaxCycle:500
- => N-P+C:  2876
+  => Cycle:  1 => MaxCycle:500
+ => N-P+C:  2909
  =>  R-factors (not corrected for background) for Pattern:  1
- => Rp:  3.46     Rwp:  4.24     Rexp:    1.94 Chi2:  4.77      L.S. refinement
+ => Rp:  3.47     Rwp:  4.24     Rexp:    1.95 Chi2:  4.72      L.S. refinement
  => Conventional Rietveld R-factors for Pattern:  1
- => Rp:  8.18     Rwp:  7.90     Rexp:    3.62 Chi2:  4.77    
- => Deviance:  0.232E+04     Dev*  :  0.8078    
- => DW-Stat.:    0.3065     DW-exp:     1.9077
- => N-sigma of the GoF:      142.996
+ => Rp:  8.18     Rwp:  7.90     Rexp:    3.64 Chi2:  4.72    
+ => Deviance:  0.233E+04     Dev*  :  0.7989    
+ => DW-Stat.:    0.3065     DW-exp:     1.8848
+ => N-sigma of the GoF:      141.756
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => N-P+C:  2876
+ => N-P+C:  2909
  =>  R-factors (not corrected for background) for Pattern:  1
- => Rp:  3.46     Rwp:  4.24     Rexp:    1.94 Chi2:  4.77      L.S. refinement
+ => Rp:  3.47     Rwp:  4.24     Rexp:    1.95 Chi2:  4.72      L.S. refinement
  => Conventional Rietveld R-factors for Pattern:  1
- => Rp:  8.18     Rwp:  7.90     Rexp:    3.62 Chi2:  4.77    
- => Deviance:  0.232E+04     Dev*  :  0.8078    
- => DW-Stat.:    0.3065     DW-exp:     1.9077
- => N-sigma of the GoF:      142.996
+ => Rp:  8.18     Rwp:  7.90     Rexp:    3.64 Chi2:  4.72    
+ => Deviance:  0.233E+04     Dev*  :  0.7989    
+ => DW-Stat.:    0.3065     DW-exp:     1.8848
+ => N-sigma of the GoF:      141.756
 
- => Global user-weigthed Chi2 (Bragg contrib.):   4.77    
+ => Global user-weigthed Chi2 (Bragg contrib.):   4.72    
 
      -----------------------------------------------------
      BRAGG R-Factors and weight fractions for Pattern #  1
      -----------------------------------------------------
 
- => Phase:  1      PbSO4                       VARY xyz b          BKG blue
- => Bragg R-factor:   3.62       Vol:  318.325( 0.003)  Fract(%):  100.00( 0.55)
+ => Phase:  1     PbSO4
+ => Bragg R-factor:   3.62       Vol:  318.325( 0.000)  Fract(%):  100.00( 0.00)
  => Rf-factor=  2.32             ATZ:        1213.030   Brindley:  1.0000
 
-
-       ----------------------------------------------------
-       -    ANALYSIS OF THE REFINEMENT FOR PATTERN #  1   -
-       ----------------------------------------------------
-
-
- => GLOBAL INDICATORS:
-
-    The first and last reflections appears at:
-    2theta(degrees)/T.O.F(microsecs)/Energy(KeV) =>         20.477       155.364
-    s (angstroms-1) =>     0.1859    1.0219
-    D (angstroms  ) =>     5.3784    0.9785
-    sin(theta/lamb) =>     0.0930    0.5110
-    Q (angstroms-1) =>     2.3365   12.8421
-
-    The average FWHM is:   0.4988  Fwhm(av)/step =   9.9763
-
- => Sum(Yiobs-Yical):     -956.59    1576.67     848.44     620.33 <- Four regions
-            Total ->      2088.85
-
-  Expected Rp (background uncorrected):     1.70 Observed->     3.46
-  Expected cRp(background   corrected):     4.01 Observed->     8.18
-  -> Ratio Rp/Exp=cRp/cExp:     2.04
-  Weighted Average Bragg R-factor:     3.62
-  Weighted Average      RF-factor:     2.32
-  Reduced Chi-square :     4.77
-
- => Total number of "independent" reflections:    199
-    Effective number (account for resolution) of reflections: 
-                      at level p=1.00  : 104.6
-                      at level p=0.50  : 136.5
-                      at level p=0.25  : 160.5
-
-    A reflection contributes as x/(x+nearest), where "x"  
-    is the fraction of the total area of the current phase and 
-   "nearest" is the number of adjacent reflections verifying the formula:
-
-    Postn-p*FWHM <= Postn(adjacent) <= Postn+p*FWHM 
-
-   "nearest" is weighted by the corresponding "x(s)" 
-
- =>             Number of global  refined parameters:      9
-                Number of profile refined parameters:      8
-    Number of intensity-affecting refined parameters:     16
-      (Preferred orientation belongs to this class)   
-
- => (Effective Number of reflections)/(Number of intensity parameters)= refni
-      Ratio ( Optimistic view,p=0.25):   10.0
-      Ratio (Pessimistic view,p=1.00):    6.5
-      Ratio (   Eclectic view,p=0.50):    8.5
-
- => PHASE DEPENDENT INDICATORS:
-
- => Positions and FWHM of the sharpest reflection
-
-     Phase  2Theta/TOF  FWHM     Q       DQ      Delta   Dd/d(%)
-
-       1     108.52   0.3723   5.3346  0.01247  0.00872  0.234
-
-   Q ,DQ(FWHM in Q-space) and Delta are given in 1/angstroms
- Delta is the expected step between consecutive reflections at Q
-
- Phase    %Cont  Nintdp  Nprofp   Nref      Enref(Effective)
-                                         R:p=1  R:p=1/2  R:p=1/4
-     1  100.00      16       8     199  104.59  136.52  160.50
-                                          6.54    8.53   10.03
-  Where:
-  %Cont: percentage of the total integrated intensity (100x)
- Nintdp: Number of intensity-affecting refined parameters
- Nprofp: Number of profile refined parameters
-   Nref: Number "independent" contributing reflections
-  Enref: Effective Number of reflections for each p-value
-R:p=1/n: Ratio Enref(Effective)/Nintdp <- "Solvability Index" 
-
-
- => ANALYSIS OF STANDARD DEVIATIONS
-
-    Phase:  1 Degrees of freedom for p=1, 1/2, 1/4:            88.59          120.52          144.50
-              Chi2 based on integrated intensities:           101.86           74.88           62.45
-              Calculated with Scott'S FORMULA     :   123.24   90.85   75.94
-
- => Standard deviations concern the PRECISION of parameters and
-    represent ACCURACY only if there is no systematic errors
-    A better estimate of the accuracy of structural parameters
-    is obtained multiplying sigmas by the parameter SCOR
- -> SCOR =   2.8394 { Berar'S FORMULA}
- -> SCOR =   3.1585 {Pawley'S FORMULA}
- -> Application of modified Scott'S FORMULA
-    SCOR(p=1,1/2,1/4) =             4.62            3.96            3.62
-    SCOR(expected Si) =       5.0825      4.3639      3.9897
-   Warning! Do not take into account Scott'S SCOR
-            These indicators are under test....
-
- => ANALYSIS OF CORRELATED PARAMETERS 
-
-  -> The number of correlated parameters is :   0
-
- => Your refinement seems to be rather good!
-
  
-              CPU Time:     1.281 seconds
-                            0.021 minutes
+              CPU Time:     0.289 seconds
+                            0.005 minutes
 
- => Run finished at:     Date: 06/06/2026  Time: 22:35:39.236                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:49:24.338                              
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.sym b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.sym
index 5a450ff6c..c350725a0 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.sym
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4.sym
@@ -71,8 +71,8 @@
 
   -> Information on Atom: Pb     at position:    0.18754   0.25000   0.16709  Multiplicity:   4
      List of symmetry operators and symmetry elements of the site point group:
-     Operator  2:  x,-y+1/2,z                    m x,1/4,z 
-     Codes for atom coordinates  (Automatic Constraints):      171.00        0.00      181.00
+     Operator  2:  x,-y+1/2,z                    m x,1/4,z                                         
+     Codes for atom coordinates  (Automatic Constraints):        0.00        0.00        0.00
      Codes for anisotropic betas (Automatic Constraints):        0.00        0.00        0.00        0.00        0.00        0.00
 
      --> Complete orbit of the atom: Pb    
@@ -84,8 +84,8 @@
 
   -> Information on Atom: S      at position:    0.06532   0.25000   0.68401  Multiplicity:   4
      List of symmetry operators and symmetry elements of the site point group:
-     Operator  2:  x,-y+1/2,z                    m x,1/4,z 
-     Codes for atom coordinates  (Automatic Constraints):      191.00        0.00      201.00
+     Operator  2:  x,-y+1/2,z                    m x,1/4,z                                         
+     Codes for atom coordinates  (Automatic Constraints):        0.00        0.00        0.00
      Codes for anisotropic betas (Automatic Constraints):        0.00        0.00        0.00        0.00        0.00        0.00
 
      --> Complete orbit of the atom: S     
@@ -97,8 +97,8 @@
 
   -> Information on Atom: O1     at position:    0.90822   0.25000   0.59542  Multiplicity:   4
      List of symmetry operators and symmetry elements of the site point group:
-     Operator  2:  x,-y+1/2,z                    m x,1/4,z 
-     Codes for atom coordinates  (Automatic Constraints):      211.00        0.00      221.00
+     Operator  2:  x,-y+1/2,z                    m x,1/4,z                                         
+     Codes for atom coordinates  (Automatic Constraints):        0.00        0.00        0.00
      Codes for anisotropic betas (Automatic Constraints):        0.00        0.00        0.00        0.00        0.00        0.00
 
      --> Complete orbit of the atom: O1    
@@ -110,8 +110,8 @@
 
   -> Information on Atom: O2     at position:    0.19390   0.25000   0.54359  Multiplicity:   4
      List of symmetry operators and symmetry elements of the site point group:
-     Operator  2:  x,-y+1/2,z                    m x,1/4,z 
-     Codes for atom coordinates  (Automatic Constraints):      231.00        0.00      241.00
+     Operator  2:  x,-y+1/2,z                    m x,1/4,z                                         
+     Codes for atom coordinates  (Automatic Constraints):        0.00        0.00        0.00
      Codes for anisotropic betas (Automatic Constraints):        0.00        0.00        0.00        0.00        0.00        0.00
 
      --> Complete orbit of the atom: O2    
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso41.fst b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso41.fst
index 860b91118..c22197779 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso41.fst
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso41.fst
@@ -1,9 +1,8 @@
 !   FILE for FullProf Studio: generated automatically by FullProf 
-!Title:  PbSO4                       VARY xyz b          BKG blue                                                                                                           
+!Title: PbSO4                                                                                                                                                               
 SPACEG P n m a             
-CELL     8.477994    5.396484    6.957715  90.0000  90.0000  90.0000  
+CELL     8.477992    5.396482    6.957715  90.0000  90.0000  90.0000  
 box -0.25 1.25 -0.15 1.15 -0.15 1.15                                           
-BKG  0.00 0.00 1.00 1.00
 ATOM Pb      Pb       0.18754   0.25000   0.16709  color  0.00 1.00 1.00 1.00
 ATOM S       S        0.06532   0.25000   0.68401  radius 0.5  color  0.00 1.00 0.00 1.00
 ATOM O1      O        0.90822   0.25000   0.59542  
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso41.sub b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso41.sub
index 541115358..10a359530 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso41.sub
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso41.sub
@@ -1,4 +1,4 @@
-   10.1436  0.050000  155.5936   ! Phase No:   1  PbSO4                       V
+   10.1436  0.050000  155.5936   ! Phase No:   1 PbSO4                         
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
@@ -48,21 +48,21 @@
      515     590     650     686     694     671     622     553     473     390
      311     240     180     133      97      72      56      48      45      48
       56      67      82      99     118     136     152     164     169     167
-     159     145     127     108      88      70      55      42      32      25
+     159     145     127     108      88      70      55      42      32      24
       19      16      13      12      11      10      10      10      10      10
       10      11      11      11      12      12      13      14      14      16
-      17      19      21      25      31      40      54      76     108     154
-     216     296     396     513     640     770     890     987    1048    1063
+      17      19      21      25      31      40      54      76     108     153
+     216     296     396     512     640     770     890     987    1048    1063
     1030     953     846     720     590     466     356     263     190     135
       95      67      49      37      29      24      21      19      17      16
       15      14      13      13      12      12      12      11      11      11
       11      11      11      11      11      11      11      11      12      12
       12      13      13      14      15      15      16      18      19      21
       24      28      34      44      60      83     118     167     234     320
-     426     549     681     813     932    1022    1072    1072    1022     932
-     814     683     554     435     336     258     205     175     168     181
-     213     262     324     395     467     536     590     625     633     615
-     573     513     442     367     294     229     173     128      93      67
+     426     549     681     813     932    1023    1072    1072    1022     932
+     814     683     554     435     335     258     205     175     168     181
+     213     262     324     395     467     536     591     625     633     615
+     574     513     442     367     294     229     173     128      93      67
       49      37      28      23      20      18      16      16      15      15
       15      15      15      15      15      14      13      13      12      11
       10       9       8       8       7       7       7       6       6       6
@@ -72,7 +72,7 @@
        8       8       8       9       9       9      10      10      11      12
       12      13      14      15      17      19      22      26      33      44
       60      85     122     172     239     323     423     533     645     749
-     832     882     890     855     785     688     579     468     365     276
+     832     882     890     856     785     689     579     468     365     276
      203     148     109      84      70      65      69      80      98     121
      149     178     206     230     245     249     240     222     196     166
      136     108      83      64      49      38      30      26      23      21
@@ -80,21 +80,21 @@
       69      96     133     184     248     324     408     494     573     634
      669     669     636     576     499     416     336     267     213     177
      160     162     182     216     263     316     371     419     453     467
-     458     428     382     328     272     221     177     144     124     118
+     458     428     383     328     272     221     177     144     124     118
      126     152     196     260     347     452     573     699     818     916
      977     991     957     885     793     700     625     584     588     645
-     754     907    1090    1281    1452    1575    1626    1592    1479    1310
+     754     907    1090    1281    1452    1575    1626    1592    1480    1310
     1109     904     716     558     441     365     330     329     356     402
      457     510     553     576     577     555     517     468     415     361
      308     259     215     176     144     118      97      82      71      64
       60      59      59      62      68      78      94     120     162     227
-     323     459     641     869    1137    1427    1714    1964    2138    2204
-    2150    1986    1745    1462    1175     911     687     514     393     323
-     301     322     386     493     639     821    1028    1247    1454    1626
-    1740    1779    1737    1618    1438    1223     997     781     591     434
+     323     459     641     869    1137    1427    1715    1964    2138    2205
+    2150    1987    1745    1463    1175     911     687     514     393     323
+     300     322     386     493     639     821    1028    1247    1454    1627
+    1740    1779    1737    1618    1439    1223     997     781     591     434
      311     221     158     115      88      70      59      52      48      45
       43      42      42      44      48      56      70      92     125     172
-     235     311     399     492     580     650     690     692     655     586
+     234     311     399     492     580     650     690     692     655     587
      499     406     315     236     171     121      85      60      44      34
       27      23      20      18      17      16      15      14      13      13
       12      12      11      11      11      11      10      10      11      11
@@ -128,8 +128,8 @@
       34      25      18      14      12      11      10      10      10      10
       10      10      11      11      12      12      13      14      15      16
       18      20      22      25      29      34      43      58      81     118
-     174     252     355     481     621     763     887     972    1007     993
-     945     879     806     727     641     548     451     357     273     202
+     174     252     355     480     621     763     887     972    1007     993
+     945     879     806     727     642     548     451     357     273     202
      145     103      73      53      40      32      27      23      21      19
       18      18      17      18      19      21      23      25      27      28
       28      27      24      21      18      16      14      13      12      12
@@ -144,34 +144,34 @@
       83     105     127     147     161     168     169     167     164     159
      153     142     126     106      86      67      51      39      30      24
       20      18      17      17      17      18      19      21      23      28
-      35      48      69     102     148     211     287     370     449     507
-     529     508     450     372     290     213     151     104      72      51
-      39      33      29      28      29      30      32      34      37      42
+      35      48      69     101     148     211     287     370     449     507
+     529     508     451     372     290     213     151     104      72      51
+      39      32      29      28      29      30      32      34      37      42
       51      65      86     115     150     188     222     246     252     239
      210     175     141     112      93      85      85      92     102     112
      118     118     115     111     110     118     134     160     193     230
-     265     296     320     343     366     387     399     394     365     318
+     265     296     320     343     366     387     399     394     366     318
      262     205     156     118      93      82      84     100     130     173
      228     289     345     385     397     375     328     268     208     155
      113      83      63      52      46      43      42      43      44      46
       48      52      58      69      88     118     165     236     336     466
-     622     791     950    1077    1149    1155    1099    1007     910     827
+     622     790     950    1077    1149    1155    1099    1007     910     827
      763     711     656     585     498     403     312     233     171     126
       95      75      64      58      55      54      56      59      66      77
-      92     112     138     171     215     275     357     471     620     797
-     980    1136    1225    1223    1136     990     818     651     514     422
-     379     381     420     479     538     573     564     512     430     339
+      92     112     138     171     215     274     357     471     620     797
+     980    1136    1225    1223    1136     991     819     651     514     422
+     379     381     420     479     538     573     565     512     430     339
      253     181     128      90      66      51      42      37      33      31
       30      29      30      33      39      48      62      80     101     122
      138     146     142     129     112      96      83      75      70      67
       62      56      48      40      33      27      23      20      18      17
       17      17      18      19      21      24      29      38      50      66
       86     108     128     143     147     143     134     125     120     120
-     124     129     132     131     132     140     166     217     302     425
-     580     751     908    1008    1016     928     776     603     440     305
+     124     129     132     131     132     140     165     217     302     425
+     580     751     908    1008    1016     928     777     603     440     305
      206     138      96      71      56      47      42      39      37      36
       37      38      43      51      66      92     130     183     250     323
-     390     434     439     403     339     264     195     137      95      67
+     390     434     439     403     339     264     195     137      95      66
       49      38      32      29      27      27      26      27      28      30
       33      39      50      68      98     145     210     292     384     471
      530     539     496     416     324     237     166     115      81      61
@@ -184,35 +184,35 @@
      140     153     152     137     114      90      69      54      45      40
       40      41      43      44      43      41      38      36      35      35
       37      39      43      48      56      67      83     106     136     175
-     224     286     368     483     648     875    1156    1455    1706    1821
-    1746    1513    1207     904     653     472     362     306     286     280
+     224     286     368     482     647     874    1155    1455    1706    1821
+    1747    1514    1207     905     653     472     362     306     286     280
      270     251     223     193     163     135     109      88      70      56
       46      39      34      31      29      28      29      32      37      45
       56      71      87     101     110     113     108      98      88      80
       73      67      58      49      40      32      27      23      20      19
       19      19      18      17      16      14      13      12      12      12
       12      12      13      14      15      17      18      19      20      20
-      21      22      24      28      35      46      66      96     137     190
+      21      22      24      28      35      46      66      95     137     190
      248     301     335     337     311     272     235     208     190     176
      160     138     114      92      75      65      61      63      69      78
       89     101     117     140     172     210     246     269     267     238
      195     148     108      76      53      39      30      24      21      19
       18      17      17      16      16      16      16      17      17      18
-      19      20      21      23      26      30      35      43      54      70
-      94     128     174     234     309     395     483     550     571     534
-     456     365     282     222     186     175     179     190     195     187
+      19      20      21      23      26      30      35      42      54      70
+      94     128     174     234     309     395     483     550     571     535
+     456     365     282     221     186     175     179     190     195     187
      166     139     114      95      86      89     102     126     158     191
      216     223     209     179     145     113      88      70      61      58
-      62      73      96     132     187     262     351     443     516     545
-     516     443     352     265     195     144     114     102     108     131
-     172     232     307     386     453     483     463     401     320     240
+      62      73      96     132     187     261     351     443     516     545
+     516     443     352     266     195     144     114     102     108     131
+     172     232     306     386     453     483     463     401     320     240
      172     121      86      63      51      44      43      45      51      60
       70      81      88      89      83      72      59      48      39      33
-      30      30      33      39      50      63      80      96     107     110
+      30      30      33      39      49      63      80      96     107     110
      102      88      71      56      43      34      28      25      23      23
       23      23      24      25      27      29      32      36      42      50
-      63      82     110     152     210     287     381     487     594     687
-     741     732     658     544     423     315     231     175     145     138
+      63      82     110     151     210     287     381     486     594     687
+     742     733     658     545     423     315     231     175     145     138
      150     176     212     249     276     281     261     223     179     137
      102      76      58      46      39      35      32      31      31      31
       32      35      39      47      60      81     111     151     200     253
@@ -222,13 +222,13 @@
       62      80     106     139     181     228     274     313     337     338
      313     269     220     175     139     115     102      99     105     117
      135     157     184     219     266     327     398     468     519     533
-     501     436     357     281     216     170     142     131     138     158
+     501     436     357     281     216     169     141     131     138     158
      190     229     269     301     319     320     312     303     302     308
      316     317     302     270     227     182     141     106      80      61
       48      39      34      30      28      26      25      24      23      22
       22      22      22      23      24      26      29      32      36      40
       43      46      48      48      49      50      55      63      78     101
-     134     179     235     299     365     421     455     457     430     388
+     134     179     235     299     365     421     455     457     431     388
      340     297     262     238     224     216     210     203     199     198
      203     215     232     251     266     271     264     247     221     191
      160     131     108      90      77      70      69      72      81      98
@@ -238,25 +238,25 @@
       60      58      57      60      66      77      93     117     149     190
      240     295     350     398     429     436     420     388     352     320
      300     294     302     321     348     373     389     388     368     334
-     294     254     220     194     178     172     174     186     207     237
-     278     328     385     442     490     520     523     499     452     393
+     294     254     220     194     178     171     174     186     207     237
+     278     328     385     442     490     520     524     499     452     393
      329     268     212     166     129     101      80      66      57      50
       47      45      45      47      50      55      62      70      81      93
      107     122     139     158     180     205     233     261     285     299
      301     287     261     228     192     157     125      99      77      61
       49      40      34      29      26      24      22      20      19      18
       18      17      17      16      16      16      16      16      16      16
-      17      17      17      17      17      18      18      18      19      20
+      17      17      17      17      17      17      18      18      19      20
       21      22      23      25      28      31      36      42      51      63
-      79     100     126     158     196     239     285     332     374     408
-     430     439     435     422     400     371     335     296     255     214
+      79      99     126     158     196     239     285     331     374     408
+     430     439     436     422     400     371     336     296     255     214
      178     145     118      95      77      63      53      45      40      36
       34      32      31      31      31      32      33      34      36      38
-      40      43      46      51      57      65      76      91     111     136
-     168     204     245     289     334     376     410     433     441     433
+      40      43      46      51      56      65      76      91     111     136
+     167     204     245     289     334     376     410     433     441     433
      411     379     341     302     265     233     207     188     176     171
      173     180     191     207     225     246     269     291     310     325
-     331     328     315     293     266     234     203     172     143     118
+     331     328     315     293     266     235     203     172     143     118
       96      78      63      52      43      37      32      28      25      23
       22      21      20      20      20      20      20      21      22      23
       24      25      27      28      29      31      32      33      34      35
@@ -277,7 +277,7 @@
      114     104      96      90      85      81      79      77      76      75
       75      74      73      72      71      70      68      67      66      66
       65      66      66      67      69      70      72      74      76      78
-      79      80      79      78      77      74      71      68      64      59
+      79      80      79      79      77      74      71      68      64      59
       55      51      47      43      39      36      33      30      28      27
       25      24      24      24      25      26      27      29      32      35
       38      42      46      51      56      62      68      74      81      87
@@ -288,5 +288,5 @@
       13      13      13      12      12      12      13      13      13      13
       13      13      13      13      14      14      14      14      15      15
       16      16      17      17      18      19      20      21      22      23
-      24      26      28      29      31      34      36      39      42      45
+      24      26      27      29      31      34      36      39      42      45
       48      52      56      61      66      71      77      83      89       0
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4_1.cfl b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4_1.cfl
index 471549b7b..08b5a3309 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4_1.cfl
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4_1.cfl
@@ -1,16 +1,16 @@
 !
-Title  CFL-file generated from FullProf for phase:  PbSO4                       VARY xyz b          BKG blue
+Title  CFL-file generated from FullProf for phase: PbSO4
 !
-Cell    8.47799(5)  5.39648(3)  6.95771(5)  90.0000  90.0000  90.0000
+Cell    8.47799  5.39648  6.95772  90.0000  90.0000  90.0000
 !
 SpGR  P n m a
 !
 !  Atom-strings in the order: Label, Species, x, y, z, Biso, Occ [,2*Spin, charge]
-Atom Pb   PB+2   0.18754(10)   0.25000       0.16709(16)   1.38(3)       0.50000
-Atom S    S+6    0.0653(3)     0.25000       0.6840(4)     0.36(5)       0.50000
-Atom O1   O-2    0.9082(2)     0.25000       0.5954(2)     2.04(4)       0.50000
-Atom O2   O-2    0.1939(2)     0.25000       0.5436(3)     1.50(4)       0.50000
-Atom O3   O-2    0.08114(13)   0.02713(18)   0.80863(16)   1.34(3)       1.00000
+Atom Pb   PB+2   0.18754       0.25000       0.16709       1.38058       0.50000
+Atom S    S+6    0.06532       0.25000       0.68401       0.36192       0.50000
+Atom O1   O-2    0.90822       0.25000       0.59542       2.03661       0.50000
+Atom O2   O-2    0.19390       0.25000       0.54359       1.50417       0.50000
+Atom O3   O-2    0.08114       0.02713       0.80863       1.34347       1.00000
 !
 !   Bond_STR instructions 
 DISTANCE 
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4_1.dis b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4_1.dis
index c71cf3edb..2b5578f09 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4_1.dis
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4_1.dis
@@ -13,18 +13,18 @@
  => Content of the FullProf generated CFL file: 
 
          !
-         Title  CFL-file generated from FullProf for phase:  PbSO4                       VARY xyz b          BKG blue
+         Title  CFL-file generated from FullProf for phase: PbSO4
          !
-         Cell    8.47799(5)  5.39648(3)  6.95771(5)  90.0000  90.0000  90.0000
+         Cell    8.47799  5.39648  6.95772  90.0000  90.0000  90.0000
          !
          SpGR  P n m a
          !
          !  Atom-strings in the order: Label, Species, x, y, z, Biso, Occ [,2*Spin, charge]
-         Atom Pb   PB+2   0.18754(10)   0.25000       0.16709(16)   1.38(3)       0.50000
-         Atom S    S+6    0.0653(3)     0.25000       0.6840(4)     0.36(5)       0.50000
-         Atom O1   O-2    0.9082(2)     0.25000       0.5954(2)     2.04(4)       0.50000
-         Atom O2   O-2    0.1939(2)     0.25000       0.5436(3)     1.50(4)       0.50000
-         Atom O3   O-2    0.08114(13)   0.02713(18)   0.80863(16)   1.34(3)       1.00000
+         Atom Pb   PB+2   0.18754       0.25000       0.16709       1.38058       0.50000
+         Atom S    S+6    0.06532       0.25000       0.68401       0.36192       0.50000
+         Atom O1   O-2    0.90822       0.25000       0.59542       2.03661       0.50000
+         Atom O2   O-2    0.19390       0.25000       0.54359       1.50417       0.50000
+         Atom O3   O-2    0.08114       0.02713       0.80863       1.34347       1.00000
          !
          !   Bond_STR instructions
          DISTANCE
@@ -42,7 +42,7 @@
 
          a =       8.4780      b =       5.3965      c =       6.9577
      alpha =       90.000   beta =       90.000  gamma =       90.000
-                        Direct Cell Volume =     318.3243
+                        Direct Cell Volume =     318.3248
 
  => Reciprocal cell parameters:
 
@@ -55,13 +55,13 @@
                    GD                                       GR
      71.8763      0.0000      0.0000          0.013913    0.000000    0.000000
       0.0000     29.1220      0.0000          0.000000    0.034338    0.000000
-      0.0000      0.0000     48.4097          0.000000    0.000000    0.020657
+      0.0000      0.0000     48.4099          0.000000    0.000000    0.020657
 
  =>  Cartesian frame: z // c; y is in the bc-plane; x is along y ^ z = a*  
 
      Crystal_to_Orthonormal_Matrix              Orthonormal_to_Crystal Matrix
               Cr_Orth_cel                               Orth_Cr_cel  
-      8.4780      0.0000      0.0000          0.117952   -0.000000   -0.000000
+      8.4780      0.0000      0.0000          0.117953   -0.000000   -0.000000
       0.0000      5.3965      0.0000          0.000000    0.185306   -0.000000
       0.0000      0.0000      6.9577          0.000000    0.000000    0.143725
 
@@ -123,11 +123,11 @@
 
     Atom      Chem        x/a       y/b       z/c       Biso     Occ       Mult
     ===========================================================================
-    Pb         Pb       0.1875    0.2500    0.1671    1.3800    0.5000        4  None
-    S          S        0.0653    0.2500    0.6840    0.3600    0.5000        4  None
-    O1         O        0.9082    0.2500    0.5954    2.0400    0.5000        4  None
-    O2         O        0.1939    0.2500    0.5436    1.5000    0.5000        4  None
-    O3         O        0.0811    0.0271    0.8086    1.3400    1.0000        8  None
+    Pb         Pb       0.1875    0.2500    0.1671    1.3806    0.5000        4  None
+    S          S        0.0653    0.2500    0.6840    0.3619    0.5000        4  None
+    O1         O        0.9082    0.2500    0.5954    2.0366    0.5000        4  None
+    O2         O        0.1939    0.2500    0.5436    1.5042    0.5000        4  None
+    O3         O        0.0811    0.0271    0.8086    1.3435    1.0000        8  None
 
 
     -------------------------------------------------------------------
@@ -140,20 +140,20 @@
  Orig. extr. p.equiv.           Distance      x_ext   y_ext   z_ext  (tx,ty,tz)     Sym. op.
 
 
-    1   2   4  ( Pb   )-(  S   ): 3.4184(16)   0.4347 -0.2500  0.1840  (0,0,-1)     -x+1/2,-y,z+1/2            
-    1   2   4  ( Pb   )-(  S   ): 3.4184(16)   0.4347  0.7500  0.1840  (0,1,-1)     -x+1/2,-y,z+1/2            
-    1   3   2  ( Pb   )-( O1   ): 2.6144(18)   0.4082  0.2500 -0.0954  (-1,0,0)     x+1/2,-y+1/2,-z+1/2        
-    1   3   3  ( Pb   )-( O1   ): 3.2665(10)   0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
-    1   3   3  ( Pb   )-( O1   ): 3.2665(10)   0.0918  0.7500  0.4046  (1,0,1)      -x,y+1/2,-z                
-    1   4   1  ( Pb   )-( O2   ): 2.620(2)     0.1939  0.2500  0.5436  (0,0,0)      x,y,z                      
-    1   4   4  ( Pb   )-( O2   ): 3.0048(9)    0.3061 -0.2500  0.0436  (0,0,-1)     -x+1/2,-y,z+1/2            
-    1   4   4  ( Pb   )-( O2   ): 3.0048(9)    0.3061  0.7500  0.0436  (0,1,-1)     -x+1/2,-y,z+1/2            
-    1   5   1  ( Pb   )-( O3   ): 2.9121(15)   0.0811  0.0271 -0.1914  (0,0,-1)     x,y,z                      
-    1   5   3  ( Pb   )-( O3   ): 2.7302(13)  -0.0811  0.5271  0.1914  (0,0,1)      -x,y+1/2,-z                
-    1   5   4  ( Pb   )-( O3   ): 2.6556(13)   0.4189 -0.0271  0.3086  (0,0,-1)     -x+1/2,-y,z+1/2            
-    1   5   5  ( Pb   )-( O3   ): 2.7302(13)  -0.0811 -0.0271  0.1914  (0,0,1)      -x,-y,-z                   
-    1   5   6  ( Pb   )-( O3   ): 2.6556(13)   0.4189  0.5271  0.3086  (0,0,-1)     -x+1/2,y+1/2,z+1/2         
-    1   5   7  ( Pb   )-( O3   ): 2.9121(15)   0.0811  0.4729 -0.1914  (0,0,-1)     x,-y+1/2,z                 
+    1   2   4  ( Pb   )-(  S   ): 3.41825      0.4347 -0.2500  0.1840  (0,0,-1)     -x+1/2,-y,z+1/2            
+    1   2   4  ( Pb   )-(  S   ): 3.41825      0.4347  0.7500  0.1840  (0,1,-1)     -x+1/2,-y,z+1/2            
+    1   3   2  ( Pb   )-( O1   ): 2.61464      0.4082  0.2500 -0.0954  (-1,0,0)     x+1/2,-y+1/2,-z+1/2        
+    1   3   3  ( Pb   )-( O1   ): 3.26650      0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
+    1   3   3  ( Pb   )-( O1   ): 3.26650      0.0918  0.7500  0.4046  (1,0,1)      -x,y+1/2,-z                
+    1   4   1  ( Pb   )-( O2   ): 2.62014      0.1939  0.2500  0.5436  (0,0,0)      x,y,z                      
+    1   4   4  ( Pb   )-( O2   ): 3.00486      0.3061 -0.2500  0.0436  (0,0,-1)     -x+1/2,-y,z+1/2            
+    1   4   4  ( Pb   )-( O2   ): 3.00486      0.3061  0.7500  0.0436  (0,1,-1)     -x+1/2,-y,z+1/2            
+    1   5   1  ( Pb   )-( O3   ): 2.91214      0.0811  0.0271 -0.1914  (0,0,-1)     x,y,z                      
+    1   5   3  ( Pb   )-( O3   ): 2.73017     -0.0811  0.5271  0.1914  (0,0,1)      -x,y+1/2,-z                
+    1   5   4  ( Pb   )-( O3   ): 2.65564      0.4189 -0.0271  0.3086  (0,0,-1)     -x+1/2,-y,z+1/2            
+    1   5   5  ( Pb   )-( O3   ): 2.73017     -0.0811 -0.0271  0.1914  (0,0,1)      -x,-y,-z                   
+    1   5   6  ( Pb   )-( O3   ): 2.65564      0.4189  0.5271  0.3086  (0,0,-1)     -x+1/2,y+1/2,z+1/2         
+    1   5   7  ( Pb   )-( O3   ): 2.91214      0.0811  0.4729 -0.1914  (0,0,-1)     x,-y+1/2,z                 
 
 
     -------------------------------------------------------------------
@@ -166,15 +166,15 @@
  Orig. extr. p.equiv.           Distance      x_ext   y_ext   z_ext  (tx,ty,tz)     Sym. op.
 
 
-    2   1   4  (  S   )-( Pb   ): 3.4184(16)   0.3125 -0.2500  0.6671  (0,0,0)      -x+1/2,-y,z+1/2            
-    2   1   4  (  S   )-( Pb   ): 3.4184(16)   0.3125  0.7500  0.6671  (0,1,0)      -x+1/2,-y,z+1/2            
-    2   3   1  (  S   )-( O1   ): 1.468(3)    -0.0918  0.2500  0.5954  (-1,0,0)     x,y,z                      
-    2   3   2  (  S   )-( O1   ): 3.287(3)     0.4082  0.2500  0.9046  (-1,0,1)     x+1/2,-y+1/2,-z+1/2        
-    2   3   3  (  S   )-( O1   ): 3.3332(18)   0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
-    2   3   3  (  S   )-( O1   ): 3.3332(18)   0.0918  0.7500  0.4046  (1,0,1)      -x,y+1/2,-z                
-    2   4   1  (  S   )-( O2   ): 1.464(3)     0.1939  0.2500  0.5436  (0,0,0)      x,y,z                      
-    2   5   1  (  S   )-( O3   ): 1.4888(19)   0.0811  0.0271  0.8086  (0,0,0)      x,y,z                      
-    2   5   7  (  S   )-( O3   ): 1.4888(19)   0.0811  0.4729  0.8086  (0,0,0)      x,-y+1/2,z                 
+    2   1   4  (  S   )-( Pb   ): 3.41825      0.3125 -0.2500  0.6671  (0,0,0)      -x+1/2,-y,z+1/2            
+    2   1   4  (  S   )-( Pb   ): 3.41825      0.3125  0.7500  0.6671  (0,1,0)      -x+1/2,-y,z+1/2            
+    2   3   1  (  S   )-( O1   ): 1.46761     -0.0918  0.2500  0.5954  (-1,0,0)     x,y,z                      
+    2   3   2  (  S   )-( O1   ): 3.28732      0.4082  0.2500  0.9046  (-1,0,1)     x+1/2,-y+1/2,-z+1/2        
+    2   3   3  (  S   )-( O1   ): 3.33327      0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
+    2   3   3  (  S   )-( O1   ): 3.33327      0.0918  0.7500  0.4046  (1,0,1)      -x,y+1/2,-z                
+    2   4   1  (  S   )-( O2   ): 1.46385      0.1939  0.2500  0.5436  (0,0,0)      x,y,z                      
+    2   5   1  (  S   )-( O3   ): 1.48873      0.0811  0.0271  0.8086  (0,0,0)      x,y,z                      
+    2   5   7  (  S   )-( O3   ): 1.48873      0.0811  0.4729  0.8086  (0,0,0)      x,-y+1/2,z                 
 
 
     -------------------------------------------------------------------
@@ -187,25 +187,25 @@
  Orig. extr. p.equiv.           Distance      x_ext   y_ext   z_ext  (tx,ty,tz)     Sym. op.
 
 
-    3   1   2  ( O1   )-( Pb   ): 2.6144(18)   0.6875  0.2500  0.3329  (0,0,0)      x+1/2,-y+1/2,-z+1/2        
-    3   1   3  ( O1   )-( Pb   ): 3.2665(10)   0.8125 -0.2500  0.8329  (1,-1,1)     -x,y+1/2,-z                
-    3   1   3  ( O1   )-( Pb   ): 3.2665(10)   0.8125  0.7500  0.8329  (1,0,1)      -x,y+1/2,-z                
-    3   2   1  ( O1   )-(  S   ): 1.468(3)     1.0653  0.2500  0.6840  (1,0,0)      x,y,z                      
-    3   2   2  ( O1   )-(  S   ): 3.287(3)     0.5653  0.2500  0.8160  (0,0,1)      x+1/2,-y+1/2,-z+1/2        
-    3   2   3  ( O1   )-(  S   ): 3.3332(18)   0.9347 -0.2500  0.3160  (1,-1,1)     -x,y+1/2,-z                
-    3   2   3  ( O1   )-(  S   ): 3.3332(18)   0.9347  0.7500  0.3160  (1,0,1)      -x,y+1/2,-z                
-    3   3   3  ( O1   )-( O1   ): 3.3861(13)   1.0918 -0.2500  0.4046  (2,-1,1)     -x,y+1/2,-z                
-    3   3   3  ( O1   )-( O1   ): 3.3861(13)   1.0918  0.7500  0.4046  (2,0,1)      -x,y+1/2,-z                
-    3   4   1  ( O1   )-( O2   ): 2.449(2)     1.1939  0.2500  0.5436  (1,0,0)      x,y,z                      
-    3   4   2  ( O1   )-( O2   ): 3.100(2)     0.6939  0.2500  0.9564  (0,0,1)      x+1/2,-y+1/2,-z+1/2        
-    3   4   3  ( O1   )-( O2   ): 2.9942(11)   0.8061 -0.2500  0.4564  (1,-1,1)     -x,y+1/2,-z                
-    3   4   3  ( O1   )-( O2   ): 2.9942(11)   0.8061  0.7500  0.4564  (1,0,1)      -x,y+1/2,-z                
-    3   5   1  ( O1   )-( O3   ): 2.4078(17)   1.0811  0.0271  0.8086  (1,0,0)      x,y,z                      
-    3   5   2  ( O1   )-( O3   ): 3.0953(19)   0.5811  0.4729  0.6914  (0,0,1)      x+1/2,-y+1/2,-z+1/2        
-    3   5   3  ( O1   )-( O3   ): 3.1855(16)   0.9189  0.5271  0.1914  (1,0,1)      -x,y+1/2,-z                
-    3   5   5  ( O1   )-( O3   ): 3.1855(16)   0.9189 -0.0271  0.1914  (1,0,1)      -x,-y,-z                   
-    3   5   7  ( O1   )-( O3   ): 2.4078(17)   1.0811  0.4729  0.8086  (1,0,0)      x,-y+1/2,z                 
-    3   5   8  ( O1   )-( O3   ): 3.0953(19)   0.5811  0.0271  0.6914  (0,0,1)      x+1/2,y,-z+1/2             
+    3   1   2  ( O1   )-( Pb   ): 2.61464      0.6875  0.2500  0.3329  (0,0,0)      x+1/2,-y+1/2,-z+1/2        
+    3   1   3  ( O1   )-( Pb   ): 3.26650      0.8125 -0.2500  0.8329  (1,-1,1)     -x,y+1/2,-z                
+    3   1   3  ( O1   )-( Pb   ): 3.26650      0.8125  0.7500  0.8329  (1,0,1)      -x,y+1/2,-z                
+    3   2   1  ( O1   )-(  S   ): 1.46761      1.0653  0.2500  0.6840  (1,0,0)      x,y,z                      
+    3   2   2  ( O1   )-(  S   ): 3.28732      0.5653  0.2500  0.8160  (0,0,1)      x+1/2,-y+1/2,-z+1/2        
+    3   2   3  ( O1   )-(  S   ): 3.33327      0.9347 -0.2500  0.3160  (1,-1,1)     -x,y+1/2,-z                
+    3   2   3  ( O1   )-(  S   ): 3.33327      0.9347  0.7500  0.3160  (1,0,1)      -x,y+1/2,-z                
+    3   3   3  ( O1   )-( O1   ): 3.38606      1.0918 -0.2500  0.4046  (2,-1,1)     -x,y+1/2,-z                
+    3   3   3  ( O1   )-( O1   ): 3.38606      1.0918  0.7500  0.4046  (2,0,1)      -x,y+1/2,-z                
+    3   4   1  ( O1   )-( O2   ): 2.44869      1.1939  0.2500  0.5436  (1,0,0)      x,y,z                      
+    3   4   2  ( O1   )-( O2   ): 3.10000      0.6939  0.2500  0.9564  (0,0,1)      x+1/2,-y+1/2,-z+1/2        
+    3   4   3  ( O1   )-( O2   ): 2.99425      0.8061 -0.2500  0.4564  (1,-1,1)     -x,y+1/2,-z                
+    3   4   3  ( O1   )-( O2   ): 2.99425      0.8061  0.7500  0.4564  (1,0,1)      -x,y+1/2,-z                
+    3   5   1  ( O1   )-( O3   ): 2.40756      1.0811  0.0271  0.8086  (1,0,0)      x,y,z                      
+    3   5   2  ( O1   )-( O3   ): 3.09542      0.5811  0.4729  0.6914  (0,0,1)      x+1/2,-y+1/2,-z+1/2        
+    3   5   3  ( O1   )-( O3   ): 3.18559      0.9189  0.5271  0.1914  (1,0,1)      -x,y+1/2,-z                
+    3   5   5  ( O1   )-( O3   ): 3.18559      0.9189 -0.0271  0.1914  (1,0,1)      -x,-y,-z                   
+    3   5   7  ( O1   )-( O3   ): 2.40756      1.0811  0.4729  0.8086  (1,0,0)      x,-y+1/2,z                 
+    3   5   8  ( O1   )-( O3   ): 3.09542      0.5811  0.0271  0.6914  (0,0,1)      x+1/2,y,-z+1/2             
 
 
     -------------------------------------------------------------------
@@ -218,18 +218,18 @@
  Orig. extr. p.equiv.           Distance      x_ext   y_ext   z_ext  (tx,ty,tz)     Sym. op.
 
 
-    4   1   1  ( O2   )-( Pb   ): 2.620(2)     0.1875  0.2500  0.1671  (0,0,0)      x,y,z                      
-    4   1   4  ( O2   )-( Pb   ): 3.0048(9)    0.3125 -0.2500  0.6671  (0,0,0)      -x+1/2,-y,z+1/2            
-    4   1   4  ( O2   )-( Pb   ): 3.0048(9)    0.3125  0.7500  0.6671  (0,1,0)      -x+1/2,-y,z+1/2            
-    4   2   1  ( O2   )-(  S   ): 1.464(3)     0.0653  0.2500  0.6840  (0,0,0)      x,y,z                      
-    4   3   1  ( O2   )-( O1   ): 2.449(2)    -0.0918  0.2500  0.5954  (-1,0,0)     x,y,z                      
-    4   3   2  ( O2   )-( O1   ): 3.100(2)     0.4082  0.2500  0.9046  (-1,0,1)     x+1/2,-y+1/2,-z+1/2        
-    4   3   3  ( O2   )-( O1   ): 2.9942(11)   0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
-    4   3   3  ( O2   )-( O1   ): 2.9942(11)   0.0918  0.7500  0.4046  (1,0,1)      -x,y+1/2,-z                
-    4   5   1  ( O2   )-( O3   ): 2.400(2)     0.0811  0.0271  0.8086  (0,0,0)      x,y,z                      
-    4   5   4  ( O2   )-( O3   ): 2.9235(19)   0.4189 -0.0271  0.3086  (0,0,-1)     -x+1/2,-y,z+1/2            
-    4   5   6  ( O2   )-( O3   ): 2.9235(19)   0.4189  0.5271  0.3086  (0,0,-1)     -x+1/2,y+1/2,z+1/2         
-    4   5   7  ( O2   )-( O3   ): 2.400(2)     0.0811  0.4729  0.8086  (0,0,0)      x,-y+1/2,z                 
+    4   1   1  ( O2   )-( Pb   ): 2.62014      0.1875  0.2500  0.1671  (0,0,0)      x,y,z                      
+    4   1   4  ( O2   )-( Pb   ): 3.00486      0.3125 -0.2500  0.6671  (0,0,0)      -x+1/2,-y,z+1/2            
+    4   1   4  ( O2   )-( Pb   ): 3.00486      0.3125  0.7500  0.6671  (0,1,0)      -x+1/2,-y,z+1/2            
+    4   2   1  ( O2   )-(  S   ): 1.46385      0.0653  0.2500  0.6840  (0,0,0)      x,y,z                      
+    4   3   1  ( O2   )-( O1   ): 2.44869     -0.0918  0.2500  0.5954  (-1,0,0)     x,y,z                      
+    4   3   2  ( O2   )-( O1   ): 3.10000      0.4082  0.2500  0.9046  (-1,0,1)     x+1/2,-y+1/2,-z+1/2        
+    4   3   3  ( O2   )-( O1   ): 2.99425      0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
+    4   3   3  ( O2   )-( O1   ): 2.99425      0.0918  0.7500  0.4046  (1,0,1)      -x,y+1/2,-z                
+    4   5   1  ( O2   )-( O3   ): 2.40021      0.0811  0.0271  0.8086  (0,0,0)      x,y,z                      
+    4   5   4  ( O2   )-( O3   ): 2.92345      0.4189 -0.0271  0.3086  (0,0,-1)     -x+1/2,-y,z+1/2            
+    4   5   6  ( O2   )-( O3   ): 2.92345      0.4189  0.5271  0.3086  (0,0,-1)     -x+1/2,y+1/2,z+1/2         
+    4   5   7  ( O2   )-( O3   ): 2.40021      0.0811  0.4729  0.8086  (0,0,0)      x,-y+1/2,z                 
 
 
     -------------------------------------------------------------------
@@ -242,18 +242,18 @@
  Orig. extr. p.equiv.           Distance      x_ext   y_ext   z_ext  (tx,ty,tz)     Sym. op.
 
 
-    5   1   1  ( O3   )-( Pb   ): 2.9121(15)   0.1875  0.2500  1.1671  (0,0,1)      x,y,z                      
-    5   1   3  ( O3   )-( Pb   ): 2.7302(13)  -0.1875 -0.2500  0.8329  (0,-1,1)     -x,y+1/2,-z                
-    5   1   4  ( O3   )-( Pb   ): 2.6556(13)   0.3125 -0.2500  0.6671  (0,0,0)      -x+1/2,-y,z+1/2            
-    5   2   1  ( O3   )-(  S   ): 1.4888(19)   0.0653  0.2500  0.6840  (0,0,0)      x,y,z                      
-    5   3   1  ( O3   )-( O1   ): 2.4078(17)  -0.0918  0.2500  0.5954  (-1,0,0)     x,y,z                      
-    5   3   2  ( O3   )-( O1   ): 3.0953(19)   0.4082  0.2500  0.9046  (-1,0,1)     x+1/2,-y+1/2,-z+1/2        
-    5   3   3  ( O3   )-( O1   ): 3.1855(16)   0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
-    5   4   1  ( O3   )-( O2   ): 2.400(2)     0.1939  0.2500  0.5436  (0,0,0)      x,y,z                      
-    5   4   4  ( O3   )-( O2   ): 2.9235(19)   0.3061 -0.2500  1.0436  (0,0,0)      -x+1/2,-y,z+1/2            
-    5   5   5  ( O3   )-( O3   ): 3.0117(16)  -0.0811 -0.0271  1.1914  (0,0,2)      -x,-y,-z                   
-    5   5   7  ( O3   )-( O3   ): 2.9911(14)   0.0811 -0.5271  0.8086  (0,-1,0)     x,-y+1/2,z                 
-    5   5   7  ( O3   )-( O3   ): 2.4054(14)   0.0811  0.4729  0.8086  (0,0,0)      x,-y+1/2,z                 
+    5   1   1  ( O3   )-( Pb   ): 2.91214      0.1875  0.2500  1.1671  (0,0,1)      x,y,z                      
+    5   1   3  ( O3   )-( Pb   ): 2.73017     -0.1875 -0.2500  0.8329  (0,-1,1)     -x,y+1/2,-z                
+    5   1   4  ( O3   )-( Pb   ): 2.65564      0.3125 -0.2500  0.6671  (0,0,0)      -x+1/2,-y,z+1/2            
+    5   2   1  ( O3   )-(  S   ): 1.48873      0.0653  0.2500  0.6840  (0,0,0)      x,y,z                      
+    5   3   1  ( O3   )-( O1   ): 2.40756     -0.0918  0.2500  0.5954  (-1,0,0)     x,y,z                      
+    5   3   2  ( O3   )-( O1   ): 3.09542      0.4082  0.2500  0.9046  (-1,0,1)     x+1/2,-y+1/2,-z+1/2        
+    5   3   3  ( O3   )-( O1   ): 3.18559      0.0918 -0.2500  0.4046  (1,-1,1)     -x,y+1/2,-z                
+    5   4   1  ( O3   )-( O2   ): 2.40021      0.1939  0.2500  0.5436  (0,0,0)      x,y,z                      
+    5   4   4  ( O3   )-( O2   ): 2.92345      0.3061 -0.2500  1.0436  (0,0,0)      -x+1/2,-y,z+1/2            
+    5   5   5  ( O3   )-( O3   ): 3.01167     -0.0811 -0.0271  1.1914  (0,0,2)      -x,-y,-z                   
+    5   5   7  ( O3   )-( O3   ): 2.99105      0.0811 -0.5271  0.8086  (0,-1,0)     x,-y+1/2,z                 
+    5   5   7  ( O3   )-( O3   ): 2.40543      0.0811  0.4729  0.8086  (0,0,0)      x,-y+1/2,z                 
 
   ------------------------------------------------
   {--- BOND-VALENCE AND POLYHEDRA DISTORTIONS ---}
@@ -274,23 +274,23 @@
  => Bond-valence and coordination of atom: Pb   occupancy:  1.000(  0)
     -------------------------------------------------------------------
 
- (Pb  )-(O1  ) :  2.6144(  18)   0.265(  1)
- (Pb  )-(O2  ) :  2.6202(  24)   0.262(  1)
- (Pb  )-(O2  ) :  3.0048(   9)   0.119(  0)
- (Pb  )-(O2  ) :  3.0048(   9)   0.119(  0)
- (Pb  )-(O3  ) :  2.9121(  15)   0.144(  0)
- (Pb  )-(O3  ) :  2.7302(  13)   0.209(  1)
- (Pb  )-(O3  ) :  2.6556(  13)   0.243(  1)
- (Pb  )-(O3  ) :  2.7302(  13)   0.209(  1)
- (Pb  )-(O3  ) :  2.6556(  13)   0.243(  1)
- (Pb  )-(O3  ) :  2.9121(  15)   0.144(  0)
+ (Pb  )-(O1  ) :  2.6146(   0)   0.265(  0)
+ (Pb  )-(O2  ) :  2.6201(   0)   0.262(  0)
+ (Pb  )-(O2  ) :  3.0049(   0)   0.119(  0)
+ (Pb  )-(O2  ) :  3.0049(   0)   0.119(  0)
+ (Pb  )-(O3  ) :  2.9121(   0)   0.144(  0)
+ (Pb  )-(O3  ) :  2.7302(   0)   0.209(  0)
+ (Pb  )-(O3  ) :  2.6556(   0)   0.243(  0)
+ (Pb  )-(O3  ) :  2.7302(   0)   0.209(  0)
+ (Pb  )-(O3  ) :  2.6556(   0)   0.243(  0)
+ (Pb  )-(O3  ) :  2.9121(   0)   0.144(  0)
 
  Coordination number:    10      Eff.Coor. number: 10.00  for atom: Pb  
- Average distance  :  2.7840(   5)  Distortion:    28.992 xE-04
+ Average distance  :  2.7840(   0)  Distortion:    28.987 xE-04
  Predicted distance:  2.7516        Single bond-valence S= 0.200
                                       Valence:    2.000
-                                         Sums:    1.957(  2)
- Deviation from the Valence Sum Rule (r1,%dev):  -0.043   2.127
+                                         Sums:    1.957(  0)
+ Deviation from the Valence Sum Rule (r1,%dev):  -0.043   2.132
  {r1=Sumj(sij)-Vi, %dev=100abs(r1)/Vi} 
  Deviation from the Equal Valence Rule    (r2):   0.056
  {r2=<sij-<sij>>rms}
@@ -300,17 +300,17 @@
  => Bond-valence and coordination of atom: S    occupancy:  1.000(  0)
     -------------------------------------------------------------------
 
- (S   )-(O1  ) :  1.4676(  31)   1.526( 13)
- (S   )-(O2  ) :  1.4639(  33)   1.541( 14)
- (S   )-(O3  ) :  1.4888(  19)   1.441(  8)
- (S   )-(O3  ) :  1.4888(  19)   1.441(  8)
+ (S   )-(O1  ) :  1.4676(   0)   1.526(  0)
+ (S   )-(O2  ) :  1.4638(   0)   1.542(  0)
+ (S   )-(O3  ) :  1.4887(   0)   1.441(  0)
+ (S   )-(O3  ) :  1.4887(   0)   1.441(  0)
 
  Coordination number:     4      Eff.Coor. number:  4.00  for atom: S   
- Average distance  :  1.4773(  13)  Distortion:     0.618 xE-04
+ Average distance  :  1.4772(   0)  Distortion:     0.613 xE-04
  Predicted distance:  1.4740        Single bond-valence S= 1.500
                                       Valence:    6.000
-                                         Sums:    5.950( 21)
- Deviation from the Valence Sum Rule (r1,%dev):  -0.050   0.838
+                                         Sums:    5.950(  0)
+ Deviation from the Valence Sum Rule (r1,%dev):  -0.050   0.826
  {r1=Sumj(sij)-Vi, %dev=100abs(r1)/Vi} 
  Deviation from the Equal Valence Rule    (r2):   0.047
  {r2=<sij-<sij>>rms}
@@ -320,14 +320,14 @@
  => Bond-valence and coordination of atom: O1   occupancy:  1.000(  0)
     -------------------------------------------------------------------
 
- (O1  )-(Pb  ) :  2.6144(  18)   0.265(  1)
- (O1  )-(S   ) :  1.4676(  31)   1.526( 13)
+ (O1  )-(Pb  ) :  2.6146(   0)   0.265(  0)
+ (O1  )-(S   ) :  1.4676(   0)   1.526(  0)
 
  Coordination number:     2      Eff.Coor. number:  2.00  for atom: O1  
- Average distance  :  2.0410(  18)  Distortion:   789.238 xE-04
+ Average distance  :  2.0411(   0)  Distortion:   789.506 xE-04
  Predicted distance:  1.6240        Single bond-valence S= 1.000
                                       Valence:   -2.000
-                                         Sums:    1.791( 13)
+                                         Sums:    1.791(  0)
  Deviation from the Valence Sum Rule (r1,%dev):  -0.209  10.472
  {r1=Sumj(sij)-Vi, %dev=100abs(r1)/Vi} 
  Deviation from the Equal Valence Rule    (r2):   0.631
@@ -338,17 +338,17 @@
  => Bond-valence and coordination of atom: O2   occupancy:  1.000(  0)
     -------------------------------------------------------------------
 
- (O2  )-(Pb  ) :  2.6202(  24)   0.262(  1)
- (O2  )-(Pb  ) :  3.0048(   9)   0.119(  0)
- (O2  )-(Pb  ) :  3.0048(   9)   0.119(  0)
- (O2  )-(S   ) :  1.4639(  33)   1.541( 14)
+ (O2  )-(Pb  ) :  2.6201(   0)   0.262(  0)
+ (O2  )-(Pb  ) :  3.0049(   0)   0.119(  0)
+ (O2  )-(Pb  ) :  3.0049(   0)   0.119(  0)
+ (O2  )-(S   ) :  1.4638(   0)   1.542(  0)
 
  Coordination number:     4      Eff.Coor. number:  4.00  for atom: O2  
- Average distance  :  2.5234(  11)  Distortion:   626.409 xE-04
+ Average distance  :  2.5234(   0)  Distortion:   626.451 xE-04
  Predicted distance:  1.8805        Single bond-valence S= 0.500
                                       Valence:   -2.000
-                                         Sums:    2.042( 14)
- Deviation from the Valence Sum Rule (r1,%dev):   0.042   2.080
+                                         Sums:    2.042(  0)
+ Deviation from the Valence Sum Rule (r1,%dev):   0.042   2.088
  {r1=Sumj(sij)-Vi, %dev=100abs(r1)/Vi} 
  Deviation from the Equal Valence Rule    (r2):   0.598
  {r2=<sij-<sij>>rms}
@@ -358,17 +358,17 @@
  => Bond-valence and coordination of atom: O3   occupancy:  1.000(  0)
     -------------------------------------------------------------------
 
- (O3  )-(Pb  ) :  2.9121(  15)   0.144(  0)
- (O3  )-(Pb  ) :  2.7302(  13)   0.209(  1)
- (O3  )-(Pb  ) :  2.6556(  13)   0.243(  1)
- (O3  )-(S   ) :  1.4888(  19)   1.441(  8)
+ (O3  )-(Pb  ) :  2.9121(   0)   0.144(  0)
+ (O3  )-(Pb  ) :  2.7302(   0)   0.209(  0)
+ (O3  )-(Pb  ) :  2.6556(   0)   0.243(  0)
+ (O3  )-(S   ) :  1.4887(   0)   1.441(  0)
 
  Coordination number:     4      Eff.Coor. number:  4.00  for atom: O3  
- Average distance  :  2.4467(   8)  Distortion:   525.471 xE-04
+ Average distance  :  2.4467(   0)  Distortion:   525.521 xE-04
  Predicted distance:  1.8805        Single bond-valence S= 0.500
                                       Valence:   -2.000
-                                         Sums:    2.038(  8)
- Deviation from the Valence Sum Rule (r1,%dev):   0.038   1.876
+                                         Sums:    2.038(  0)
+ Deviation from the Valence Sum Rule (r1,%dev):   0.038   1.886
  {r1=Sumj(sij)-Vi, %dev=100abs(r1)/Vi} 
  Deviation from the Equal Valence Rule    (r2):   0.539
  {r2=<sij-<sij>>rms}
@@ -388,5 +388,5 @@
 
  =>  Old Global Instability Index (  GII=SQRT{SUM{|BVS-abs(q)|^2}/Num_Atoms} ) =  10.13 /100
  =>  Normalized   GII(a)=       SUM {|BVS-abs(q)|  *mult}       /N_Atoms_UCell =   6.98 /100
- =>  Normalized   GII(b)=       SUM {|BVS-abs(q)|  *mult/abs(q)}/N_Atoms_UCell =   3.21 %
- =>  Normalized   GII(c)= SQRT{ SUM {|BVS-abs(q)|^2*mult}       /N_Atoms_UCell}=   9.38 /100
+ =>  Normalized   GII(b)=       SUM {|BVS-abs(q)|  *mult/abs(q)}/N_Atoms_UCell =   3.22 %
+ =>  Normalized   GII(c)= SQRT{ SUM {|BVS-abs(q)|^2*mult}       /N_Atoms_UCell}=   9.37 /100
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4_1_sum.bvs b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4_1_sum.bvs
index 370134030..f0cdd1e00 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4_1_sum.bvs
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_pv_pbso4/pbso4_1_sum.bvs
@@ -1,12 +1,12 @@
   Subroutine Calc_BVS (JRC-LLB, version: March-2005)
   Title: Summary of Bond-Valence calculations for file: pbso4_1.cfl
    Atom      Coord  D_aver Sigm   Distort(x10-4)    Valence    BVSum(Sigma)
-    Pb       10.00  2.7840(   5)        28.992       2.000       1.957(  2)
-    S         4.00  1.4773(  13)         0.618       6.000       5.950( 21)
-    O1        2.00  2.0410(  18)       789.238      -2.000       1.791( 13)
-    O2        4.00  2.5234(  11)       626.409      -2.000       2.042( 14)
-    O3        4.00  2.4467(   8)       525.471      -2.000       2.038(  8)
+    Pb       10.00  2.7840(   0)        28.987       2.000       1.957(  0)
+    S         4.00  1.4772(   0)         0.613       6.000       5.950(  0)
+    O1        2.00  2.0411(   0)       789.506      -2.000       1.791(  0)
+    O2        4.00  2.5234(   0)       626.451      -2.000       2.042(  0)
+    O3        4.00  2.4467(   0)       525.521      -2.000       2.038(  0)
  =>  Old Global Instability Index (  GII=SQRT{SUM{|BVS-abs(q)|^2}/Num_Atoms} ) =  10.13 /100
  =>  Normalized   GII(a)=       SUM {|BVS-abs(q)|  *mult}       /N_Atoms_UCell =   6.98 /100
- =>  Normalized   GII(b)=       SUM {|BVS-abs(q)|  *mult/abs(q)}/N_Atoms_UCell =   3.21 %
- =>  Normalized   GII(c)= SQRT{ SUM {|BVS-abs(q)|^2*mult}       /N_Atoms_UCell}=   9.38 /100
+ =>  Normalized   GII(b)=       SUM {|BVS-abs(q)|  *mult/abs(q)}/N_Atoms_UCell =   3.22 %
+ =>  Normalized   GII(c)= SQRT{ SUM {|BVS-abs(q)|^2*mult}       /N_Atoms_UCell}=   9.37 /100
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.bac b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.bac
new file mode 100644
index 000000000..1de053cff
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.bac
@@ -0,0 +1,3195 @@
+!  Background of: ECH0030684_LaB6_1p622A                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          
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+      146.4159      887.9184
+      146.4658      887.7963
+      146.5154      887.6744
+      146.5655      887.5503
+      146.6156      887.4255
+      146.6657      887.2997
+      146.7157      887.1736
+      146.7656      887.0465
+      146.8157      886.9185
+      146.8657      886.7894
+      146.9158      886.6597
+      146.9656      886.5294
+      147.0156      886.3981
+      147.0657      886.2655
+      147.1156      886.1327
+      147.1656      885.9987
+      147.2156      885.8640
+      147.2655      885.7284
+      147.3154      885.5921
+      147.3654      885.4547
+      147.4154      885.3164
+      147.4654      885.1774
+      147.5153      885.0375
+      147.5651      884.8972
+      147.6152      884.7553
+      147.6652      884.6125
+      147.7151      884.4693
+      147.7570      884.3484
+      147.8071      884.2029
+      147.8572      884.0568
+      147.9073      883.9095
+      147.9572      883.7618
+      148.0072      883.6133
+      148.0573      883.4637
+      148.1073      883.3132
+      148.1573      883.1616
+      148.2072      883.0099
+      148.2572      882.8567
+      148.3073      882.7025
+      148.3572      882.5479
+      148.4072      882.3920
+      148.4571      882.2356
+      148.5071      882.0781
+      148.5570      881.9200
+      148.6069      881.7606
+      148.6570      881.6003
+      148.7070      881.4392
+      148.7569      881.2771
+      148.8067      881.1150
+      148.8568      880.9507
+      148.9068      880.7856
+      148.9567      880.6203
+      149.0052      880.4585
+      149.0554      880.2904
+      149.1054      880.1216
+      149.1555      879.9519
+      149.2055      879.7816
+      149.2554      879.6105
+      149.3055      879.4380
+      149.3555      879.2649
+      149.4056      879.0906
+      149.4554      878.9161
+      149.5055      878.7402
+      149.5555      878.5629
+      149.6054      878.3856
+      149.6554      878.2067
+      149.7054      878.0273
+      149.7553      877.8468
+      149.8053      877.6656
+      149.8552      877.4832
+      149.9052      877.2997
+      149.9552      877.1152
+      150.0051      876.9301
+      150.0549      876.7447
+      150.1050      876.5571
+      150.1551      876.3687
+      150.2050      876.1798
+      150.2415      876.0408
+      150.2916      875.8495
+      150.3417      875.6573
+      150.3918      875.4641
+      150.4418      875.2706
+      150.4917      875.0761
+      150.5418      874.8801
+      150.5918      874.6833
+      150.6419      874.4854
+      150.6917      874.2874
+      150.7418      874.0878
+      150.7918      873.8870
+      150.8417      873.6858
+      150.8917      873.4832
+      150.9417      873.2800
+      150.9916      873.0758
+      151.0415      872.8706
+      151.0915      872.6644
+      151.1415      872.4567
+      151.1915      872.2484
+      151.2414      872.0391
+      151.2912      871.8297
+      151.3413      871.6180
+      151.3914      871.4052
+      151.4413      871.1922
+      151.4959      870.9578
+      151.5460      870.7419
+      151.5961      870.5250
+      151.6462      870.3070
+      151.6961      870.0887
+      151.7461      869.8693
+      151.7961      869.6485
+      151.8462      869.4267
+      151.8962      869.2039
+      151.9461      868.9808
+      151.9961      868.7561
+      152.0462      868.5302
+      152.0961      868.3041
+      152.1461      868.0763
+      152.1960      867.8477
+      152.2460      867.6182
+      152.2959      867.3879
+      152.3458      867.1562
+      152.3959      866.9232
+      152.4458      866.6895
+      152.4958      866.4546
+      152.5456      866.2198
+      152.5956      865.9823
+      152.6457      865.7442
+      152.6956      865.5054
+      152.7533      865.2280
+      152.8034      864.9862
+      152.8535      864.7435
+      152.9036      864.4995
+      152.9536      864.2552
+      153.0035      864.0098
+      153.0536      863.7629
+      153.1036      863.5151
+      153.1537      863.2662
+      153.2035      863.0172
+      153.2535      862.7662
+      153.3036      862.5138
+      153.3535      862.2615
+      153.4035      862.0072
+      153.4535      861.7524
+      153.5034      861.4965
+      153.5533      861.2396
+      153.6033      860.9816
+      153.6533      860.7218
+      153.7033      860.4615
+      153.7532      860.2003
+      153.8030      859.9389
+      153.8531      859.6747
+      153.9031      859.4095
+      153.9530      859.1440
+      154.0009      858.8884
+      154.0510      858.6196
+      154.1011      858.3502
+      154.1512      858.0795
+      154.2012      857.8082
+      154.2511      857.5360
+      154.3012      857.2622
+      154.3512      856.9873
+      154.4013      856.7112
+      154.4511      856.4353
+      154.5011      856.1572
+      154.5512      855.8776
+      154.6011      855.5981
+      154.6511      855.3167
+      154.7011      855.0345
+      154.7510      854.7515
+      154.8009      854.4672
+      154.8509      854.1817
+      154.9009      853.8945
+      154.9509      853.6068
+      155.0008      853.3179
+      155.0506      853.0289
+      155.1007      852.7370
+      155.1507      852.4442
+      155.2006      852.1510
+      155.2532      851.8409
+      155.3033      851.5443
+      155.3534      851.2468
+      155.4035      850.9480
+      155.4535      850.6487
+      155.5034      850.3485
+      155.5535      850.0463
+      155.6035      849.7433
+      155.6535      849.4391
+      155.7034      849.1346
+      155.7534      848.8284
+      155.8035      848.5204
+      155.8534      848.2125
+      155.9034      847.9025
+      155.9534      847.5919
+      156.0033      847.2802
+      156.0532      846.9673
+      156.1032      846.6533
+      156.1532      846.3374
+      156.2032      846.0209
+      156.2531      845.7032
+      156.3029      845.3856
+      156.3530      845.0648
+      156.4030      844.7430
+      156.4529      844.4210
+      156.5018      844.1044
+      156.5519      843.7788
+      156.6020      843.4521
+      156.6521      843.1240
+      156.7020      842.7958
+      156.7520      842.4664
+      156.8021      842.1351
+      156.8521      841.8025
+      156.9021      841.4691
+      156.9520      841.1354
+      157.0020      840.7996
+      157.0521      840.4622
+      157.1020      840.1249
+      157.1520      839.7855
+      157.2020      839.4453
+      157.2519      839.1039
+      157.3018      838.7617
+      157.3518      838.4177
+      157.4018      838.0722
+      157.4518      837.7258
+      157.5017      837.3784
+      157.5515      837.0310
+      157.6016      836.6802
+      157.6516      836.3283
+      157.7015      835.9763
+      157.7401      835.7032
+      157.7902      835.3475
+      157.8403      834.9911
+      157.8904      834.6331
+      157.9403      834.2747
+      157.9903      833.9152
+      158.0404      833.5537
+      158.0904      833.1910
+      158.1404      832.8274
+      158.1903      832.4636
+      158.2403      832.0975
+      158.2904      831.7296
+      158.3403      831.3621
+      158.3903      830.9922
+      158.4402      830.6216
+      158.4902      830.2498
+      158.5401      829.8767
+      158.5901      829.5023
+      158.6401      829.1262
+      158.6900      828.7491
+      158.7400      828.3708
+      158.7898      827.9928
+      158.8399      827.6110
+      158.8899      827.2282
+      158.9398      826.8453
+      158.9939      826.4290
+      159.0440      826.0419
+      159.0941      825.6538
+      159.1442      825.2642
+      159.1941      824.8744
+      159.2441      824.4833
+      159.2942      824.0900
+      159.3442      823.6957
+      159.3942      823.3002
+      159.4441      822.9047
+      159.4941      822.5067
+      159.5442      822.1069
+      159.5941      821.7075
+      159.6441      821.3055
+      159.6940      820.9028
+      159.7440      820.4990
+      159.7939      820.0939
+      159.8438      819.6874
+      159.8939      819.2788
+      159.9438      818.8696
+      159.9938      818.4592
+      160.0436      818.0488
+      160.0936      817.6346
+      160.1437      817.2192
+      160.1936      816.8039
+      160.2523      816.3131
+      160.3024      815.8934
+      160.3525      815.4724
+      160.4026      815.0499
+      160.4526      814.6273
+      160.5025      814.2032
+      160.5526      813.7772
+      160.6026      813.3497
+      160.6527      812.9210
+      160.7025      812.4924
+      160.7525      812.0614
+      160.8026      811.6281
+      160.8525      811.1956
+      160.9025      810.7603
+      160.9525      810.3242
+      161.0024      809.8871
+      161.0523      809.4485
+      161.1023      809.0087
+      161.1523      808.5665
+      161.2023      808.1234
+      161.2522      807.6794
+      161.3020      807.2355
+      161.3521      806.7876
+      161.4021      806.3383
+      161.4520      805.8892
+      161.5081      805.3832
+      161.5582      804.9293
+      161.6083      804.4744
+      161.6584      804.0176
+      161.7083      803.5611
+      161.7583      803.1029
+      161.8083      802.6423
+      161.8584      802.1809
+      161.9084      801.7179
+      161.9583      801.2552
+      162.0083      800.7896
+      162.0584      800.3221
+      162.1083      799.8550
+      162.1583      799.3855
+      162.2082      798.9149
+      162.2581      798.4432
+      162.3081      797.9700
+      162.3580      797.4954
+      162.4081      797.0183
+      162.4580      796.5408
+      162.5080      796.0618
+      162.5577      795.5835
+      162.6078      795.1002
+      162.6579      794.6158
+      162.7078      794.1318
+      162.7678      793.5482
+      162.8179      793.0588
+      162.8680      792.5688
+      162.9181      792.0764
+      162.9680      791.5845
+      163.0180      791.0911
+      163.0680      790.5950
+      163.1181      790.0979
+      163.1681      789.5992
+      163.2180      789.1010
+      163.2680      788.5999
+      163.3181      788.0964
+      163.3680      787.5936
+      163.4180      787.0881
+      163.4679      786.5817
+      163.5179      786.0740
+      163.5678      785.5650
+      163.6177      785.0544
+      163.6678      784.5413
+      163.7177      784.0275
+      163.7677      783.5125
+      163.8174      782.9978
+      163.8675      782.4784
+      163.9176      781.9576
+      163.9675      781.4373
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.cif b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.cif
index e77112a44..b5386d47d 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.cif
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.cif
@@ -14,14 +14,14 @@
 # Please notify any error or suggestion to: 
 #           Juan Rodriguez-Carvajal (jrc@ill.eu)
 # Improvements will be progressively added as needed.
-#      Date: 08/06/2026  Time: 14:22:23.253
+#      Date: 09/06/2026  Time: 12:42:02.120
  
  
 #=============================================================================
  data_global
 #=============================================================================
  
-_audit_creation_date  08/06/2026  
+_audit_creation_date  09/06/2026  
 _audit_creation_method  "FullProf Suite"
 # PROCESSING SUMMARY (IUCr Office Use Only)
  
@@ -314,7 +314,7 @@ _pd_calibration_special_details           # description of the method used
 _diffrn_ambient_temperature          ?
 _diffrn_source           'nuclear reactor' 
 _diffrn_radiation_type   'Constant Wavelength Neutron Diffraction' 
-_diffrn_radiation_wavelength           1.62389
+_diffrn_radiation_wavelength           1.62253
 _diffrn_source_type      ?  # Put here the diffractometer and site
  
 _diffrn_radiation_monochromator      ?
@@ -365,38 +365,38 @@ _pd_proc_ls_pref_orient_corr
 #  The sum is extended to all non-excluded points.
 #  These are the current CIF standard
  
-_pd_proc_ls_prof_R_factor                7.8003
-_pd_proc_ls_prof_wR_factor              10.5375
-_pd_proc_ls_prof_wR_expected             2.7496
+_pd_proc_ls_prof_R_factor                6.1322
+_pd_proc_ls_prof_wR_factor               8.1951
+_pd_proc_ls_prof_wR_expected             2.7567
  
 #  The following profile R-factors are CORRECTED for background
 #  The sum is extended to all non-excluded points.
 #  These items are not in the current CIF standard, but are defined above
  
-_pd_proc_ls_prof_cR_factor               15.5390
-_pd_proc_ls_prof_cwR_factor              17.9352
-_pd_proc_ls_prof_cwR_expected             4.6798
+_pd_proc_ls_prof_cR_factor               12.1762
+_pd_proc_ls_prof_cwR_factor              13.9407
+_pd_proc_ls_prof_cwR_expected             4.6895
  
 #  The following items are not in the CIF standard, but are defined above
  
-_pd_proc_ls_prof_chi2                14.6875
-_pd_proc_ls_prof_echi2               14.9925
+_pd_proc_ls_prof_chi2                 8.8371
+_pd_proc_ls_prof_echi2                9.0626
  
 #  Items related to LS refinement
  
-_refine_ls_R_I_factor                 4.2880
+_refine_ls_R_I_factor                 3.5100
 _refine_ls_number_reflns                    28
-_refine_ls_number_parameters                16
+_refine_ls_number_parameters                 0
 _refine_ls_number_restraints                 0
  
 # The following four items apply to angular dispersive measurements.
 # 2theta minimum, maximum and increment (in degrees) are for the 
 # intensities used in the refinement.
  
-_pd_proc_2theta_range_min                4.6192
-_pd_proc_2theta_range_max              164.2114
+_pd_proc_2theta_range_min                4.3753
+_pd_proc_2theta_range_max              163.9675
 _pd_proc_2theta_range_inc              0.049998
-_pd_proc_wavelength                    1.623891
+_pd_proc_wavelength                    1.622527
  
 _pd_block_diffractogram_id        ?  # The id used for the block containing
                                      # the powder pattern profile (section 11)
@@ -427,8 +427,8 @@ loop_
     _atom_site_occupancy
     _atom_site_adp_type
     _atom_site_type_symbol
- La  0.00000  0.00000  0.00000  0.0068(3)  1.00000 Uiso La    
- B  0.19972(16)  0.50000  0.50000  0.00499  1.00016 Uiso B11   
+ La  0.00000  0.00000  0.00000  0.00759  1.00000 Uiso La    
+ B  0.19978  0.50000  0.50000  0.00564  1.00016 Uiso B11   
  
 # Note: if the displacement parameters were refined anisotropically
 # the U matrices should be given as for single-crystal studies.
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.out b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.out
index 545439220..aa02a0789 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.out
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.out
@@ -1,14 +1,14 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 08/06/2026  Time: 14:22:23.253                              
+    Date: 09/06/2026  Time: 12:42:01.720                              
 
  => PCR file code: ECH0030684_LaB6_1p622A
  => DAT file code: ECH0030684_LaB6_1p62 -> Relative contribution: 1.0000                                                            
@@ -38,13 +38,14 @@
  ==> INPUT/OUTPUT OPTIONS:
 
  => Output Obs and Calc intensities on last cycle
+ => Generate bacground file *.bac
  => Generate file *.PRF for plot
  => Output Integrated Intensities
  => Generate new input file *.PCR
 
  => X-Y type of data: 2theta/TOF/E(Kev) Intens sigma for pattern:  1
  => Plot pattern at each cycle
- => Wavelengths:  1.62389 1.62389
+ => Wavelengths:  1.62253 1.62253
  => Alpha2/Alpha1 ratio:   0.0000
  => Cos(Monochromator angle)=   0.0000
  => Asymmetry correction for angles lower than  180.000 degrees
@@ -52,10 +53,10 @@
  => AC : Cylinder Debye-Scherrer (Hewat formula)
  => Base of peaks: 2.0*HW*   12.00
 
- => Number of cycles:  100
+ => Number of cycles:  200
  => Relaxation factors ==>    for coordinates:  0.04
  => for anisotropic temperature factors:  0.04
- => for halfwidth/strain/size parameters:  0.04
+ => for halfwidth/strain/size/further parameters:  0.04
  => for lattice constants and propagation vectors:  0.04
  => EPS-value for convergence:    0.1
 
@@ -66,20 +67,19 @@
 
  => Scattering lengths (real & imaginary parts) ==>
     For B11    0.665000  0.000000
- => Number of Least-Squares parameters varied:    16
+ => Number of Least-Squares parameters varied:     0
 
  =>--------------------------->
  =>------->  PATTERN number:  1
  =>--------------------------->
  => Global parameters and codes ==>
- => Zero-point:    -0.4550   51.0000
- => Refined Wavelength:  1.623891   61.00
+ => Zero-point:    -0.2111    0.0000
  => Background parameters and codes ==>
  => Origin of polynomial at 2theta/TOF/E(KeV):   80.000  
-  777.52      52.160      365.24      16.165     -413.49      0.0000    
-       71.00       81.00       91.00      101.00      111.00        0.00
- => Perpendicular Displacement parameter and code:     0.01  141.00
- => Parallel      Displacement parameter and code:     0.24  161.00
+  782.02      75.285      291.74     -3.1490     -329.24      0.0000    
+        0.00        0.00        0.00        0.00        0.00        0.00
+ => Perpendicular Displacement parameter and code:     0.05    0.00
+ => Parallel      Displacement parameter and code:     0.09    0.00
 
  => Reading Intensity data  =>>
 
@@ -279,15 +279,15 @@
  => Initial parameters ==>
  Atom    Ntyp                  X         Y         Z         B         occ.         in  fin  Spc  Mult
                              B11       B22       B33       B12       B13       B23
- La     La                 0.00000   0.00000   0.00000   0.53402   0.02083           0    0    0    1
-                 Codes:    0.00000   0.00000   0.00000 151.00000   0.00000
- B      B11                0.19972   0.50000   0.50000   0.39406   0.12500           0    0    0    6
-                 Codes:  131.00000   0.00000   0.00000   0.00000   0.00000
+ La     La                 0.00000   0.00000   0.00000   0.59951   0.02083           0    0    0    1
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ B      B11                0.19978   0.50000   0.50000   0.44499   0.12500           0    0    0    6
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
 
- => IT IS ASSUMED THAT THE FIRST GIVEN SITE IS FULLY OCCUPIED 
-    OR THE FIRST AND SECOND ATOMS ARE IN THE SAME SITE WITH TOTAL FULL OCCUPATION
+ => It is assumed that THE FIRST GIVEN SITE plus all the other atoms 
+    occupying THE SAME POSITION have a total full occupation (no vacancies!)
   (if this is not the case, change the order of atoms to obtain correct values for the content of the unit cell)
-    The phase contains sites partially occupied
+    The given occupation factors have been obtained mutiplying m/M by   0.0208
       -> Atom: La  ,  Chemical element: LA  Atomic Mass:   138.9055
       -> Atom: B11 ,  Chemical element: B   Atomic Mass:    10.8100
  => The given value of ATZ is        203.71 the program has calculated:         203.71
@@ -300,27 +300,27 @@
 
  =>-------> PROFILE PARAMETERS FOR PATTERN:  1
 
- => Overall scale factor:    136.051    
+ => Overall scale factor:    141.128    
  => ETA (p-Voigt) OR M (Pearson VII):   0.0000
  => Overall temperature factor:      0.00000
- => Halfwidth U,V,W:      0.14336    -0.52216     0.59041
- => X and Y parameters:       0.0000      0.0543
+ => Halfwidth U,V,W:      0.08966    -0.37579     0.47652
+ => X and Y parameters:       0.0000      0.0524
  => Direct cell parameters:    4.1569   4.1569   4.1569  90.0000  90.0000  90.0000
  => Preferred orientation parameters:   0.0000  0.0000
  => Asymmetry parameters     :      0.00000     0.00000     0.00000     0.00000
  => Strain parameters        :      0.00000     0.00000     0.00000
  => Size   parameters        :      0.00000     0.00000
- => Further shape parameters (S_L and D_L):   0.00000   0.00000
+ => Further shape parameters (S_L and D_L):   0.08000   0.08000
     S_L is source width/detector distance
     D_L is detector width/detector distance
 
  ==> CODEWORDS FOR PROFILE PARAMETERS of PATTERN#  1
 
- => Overall scale factor:   11.000
+ => Overall scale factor:    0.000
  => ETA (p-Voigt) OR M (Pearson VII):    0.000
  => Overall temperature factor:    0.000
- => Halfwidth U,V,W:   31.000  41.000  21.000
- => X and Y parameters:    0.000 121.000
+ => Halfwidth U,V,W:    0.000   0.000   0.000
+ => X and Y parameters:    0.000   0.000
  => Direct cell parameters:    0.000   0.000   0.000   0.000   0.000   0.000
  => Preferred orientation parameters:    0.000   0.000
  => Asymmetry parameters     :    0.000   0.000   0.000   0.000
@@ -366,8 +366,8 @@
     0.000000    0.000000    0.240565            0.0000      0.0000      4.1569
 
  => Laue symmetry m-3m  will be used to generate HKL for pattern#   1
- => Reflections generated between S(1/d)min:  0.0447 A-1 and S(1/d)max:  1.2316 A-1
- =>                                    dmax: 22.3481 A   and      dmin:  0.8119 A
+ => Reflections generated between S(1/d)min:  0.0448 A-1 and S(1/d)max:  1.2326 A-1
+ =>                                    dmax: 22.3294 A   and      dmin:  0.8113 A
  => The number of reflections generated is:     28
  => The max. scatt. variable (gen.ref.) is:       179.0000
  => Scattering coefficients from internal table
@@ -375,52 +375,31 @@
  => Scattering lengths:
 
  La     0.8240
-
-     --------------------------------------------------------------
-      SYMBOLIC NAMES AND INITIAL VALUES OF PARAMETERS TO BE VARIED:
-     --------------------------------------------------------------
-
-      ->  Parameter number    1   -> Symbolic Name:                                     Scale_ph1_pat1     136.05080    
-      ->  Parameter number    2   -> Symbolic Name:                                    W-Cagl_ph1_pat1    0.59041202    
-      ->  Parameter number    3   -> Symbolic Name:                                    U-Cagl_ph1_pat1    0.14336200    
-      ->  Parameter number    4   -> Symbolic Name:                                    V-Cagl_ph1_pat1   -0.52215701    
-      ->  Parameter number    5   -> Symbolic Name:                                          Zero_pat1   -0.45499000    
-      ->  Parameter number    6   -> Symbolic Name:                                        Lambda_pat1     1.6238910    
-      ->  Parameter number    7   -> Symbolic Name:                                         Bck_0_pat1     777.52301    
-      ->  Parameter number    8   -> Symbolic Name:                                         Bck_1_pat1     52.160000    
-      ->  Parameter number    9   -> Symbolic Name:                                         Bck_2_pat1     365.24100    
-      ->  Parameter number   10   -> Symbolic Name:                                         Bck_3_pat1     16.165001    
-      ->  Parameter number   11   -> Symbolic Name:                                         Bck_4_pat1    -413.49301    
-      ->  Parameter number   12   -> Symbolic Name:                                     Y-cos_ph1_pat1    0.54272000E-01
-      ->  Parameter number   13   -> Symbolic Name:                                            X_B_ph1    0.19972000    
-      ->  Parameter number   14   -> Symbolic Name:                                         SyCos_pat1    0.10510000E-01
-      ->  Parameter number   15   -> Symbolic Name:                                        Biso_La_ph1    0.53402001    
-      ->  Parameter number   16   -> Symbolic Name:                                         SySin_pat1    0.24191000    
   
  
  => No optimization for routine tasks
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
  => CYCLE No.:    1
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: nuclear                                                               
- ---------------------------------------------------------------------------------------
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: nuclear
+ ------------------------------------------------------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
 
- La       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.53399-0.00003 0.02052  0.02083 0.00000 0.00000
- B        0.19972 0.00000 0.00016  0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.39406 0.00000 0.00000  0.12500 0.00000 0.00000
+ La       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.59951 0.00000 0.00000  0.02083 0.00000 0.00000
+ B        0.19978 0.00000 0.00000  0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.44499 0.00000 0.00000  0.12500 0.00000 0.00000
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
- => Overall scale factor:    136.050689697    -0.000099318     0.541358113
+ => Overall scale factor:    141.128494263     0.000000000     0.000000000
  => Eta(p-Voigt) or m(Pearson VII):   0.000000  0.000000  0.000000
  => Overall tem. factor:     0.000000    0.000000    0.000000
  => Halfwidth parameters: 
-         0.143363    0.000001    0.003007
-        -0.522167   -0.000010    0.008848
-         0.590411   -0.000001    0.007018
+         0.089664    0.000000    0.000000
+        -0.375792    0.000000    0.000000
+         0.476524    0.000000    0.000000
  => Cell parameters: 
         4.156885    0.000000    0.000000
         4.156885    0.000000    0.000000
@@ -438,7 +417,7 @@
          0.000000    0.000000    0.000000
  => X and Y parameters: 
          0.000000    0.000000    0.000000
-         0.054276    0.000004    0.001980
+         0.052425    0.000000    0.000000
  => Strain parameters: 
          0.000000    0.000000    0.000000
          0.000000    0.000000    0.000000
@@ -447,96 +426,95 @@
          0.000000    0.000000    0.000000
          0.000000    0.000000    0.000000
  => Further shape parameters (S_L and D_L): 
-       0.000000  0.000000  0.000000
-       0.000000  0.000000  0.000000
+       0.080000  0.000000  0.000000
+       0.080000  0.000000  0.000000
 
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:    -0.4550   -0.0000    0.0107
- => Refined wavelength:   1.623891  0.000000  0.000054
+ => Zero-point:    -0.2111    0.0000    0.0000
  => Background Polynomial Parameters ==>
-       777.52    -0.22891E-02  4.4352    
-       52.161     0.10375E-02  11.022    
-       365.26     0.16048E-01  28.543    
-       16.143    -0.22468E-01  19.945    
-      -413.53    -0.41371E-01  36.034    
+       782.02      0.0000      0.0000    
+       75.285      0.0000      0.0000    
+       291.74      0.0000      0.0000    
+      -3.1490      0.0000      0.0000    
+      -329.24      0.0000      0.0000    
        0.0000      0.0000      0.0000    
 
- => Cos(2theta)-shift parameter :   0.0105  0.0000  0.0057
- => Sin(2theta)-shift parameter :   0.2419  0.0000  0.0082
+ => Cos(2theta)-shift parameter :   0.0528  0.0000  0.0000
+ => Sin(2theta)-shift parameter :   0.0907  0.0000  0.0000
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
- => R-Factors:   7.80      10.5     Chi2:  14.7     DW-Stat.:  0.2431   Patt#:  1
- => Expected :            2.75                                1.8984
- => Deviance : 0.649E+05     Dev*:   21.19    
- => GoF-index:  3.8         Sqrt(Residual/N)
- => N-P+C:  3060
+ => R-Factors:   6.13      8.20     Chi2:  8.84     DW-Stat.:  0.3573   Patt#:  1
+ => Expected :            2.76                                1.8880
+ => Deviance : 0.356E+05     Dev*:   11.58    
+ => GoF-index:  3.0         Sqrt(Residual/N)
+ => N-P+C:  3076
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.3961E+06    0.5079E+07    0.4999E+07    0.4048E+07    0.4494E+05    0.3901E+14
+     0.3114E+06    0.5079E+07    0.5028E+07    0.4048E+07    0.2718E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   15.5      17.9      4.68      14.69    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   12.2      13.9      4.69      8.837    
  => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.2549E+07    0.1397E+07
+ =>  SumYnet, Sum(w Ynet**2):     0.2558E+07    0.1399E+07
 
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => R-Factors:   7.85      10.6     Chi2:  15.0     DW-Stat.:  0.2435   Patt#:
- => Expected :            2.74                                1.8974
- => Deviance : 0.648E+05     Dev*:   21.64    
- => GoF-index:  3.9         Sqrt(Residual/N)
- => N-P+C:  2993
+ => R-Factors:   6.17      8.24     Chi2:  9.06     DW-Stat.:  0.3585   Patt#:
+ => Expected :            2.74                                1.8863
+ => Deviance : 0.355E+05     Dev*:   11.88    
+ => GoF-index:  3.0         Sqrt(Residual/N)
+ => N-P+C:  2989
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.3945E+06    0.5027E+07    0.4947E+07    0.4001E+07    0.4487E+05    0.3901E+14
+     0.3093E+06    0.5012E+07    0.4962E+07    0.3986E+07    0.2709E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   15.5      17.9      4.63      14.99    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   12.1      13.9      4.62      9.063    
  => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.2550E+07    0.1397E+07
+ =>  SumYnet, Sum(w Ynet**2):     0.2557E+07    0.1399E+07
 
 
- => Global user-weigthed Chi2 (Bragg contrib.):   15.0    
+ => Global user-weigthed Chi2 (Bragg contrib.):   9.06    
 
  => ---------> Pattern#  1
  => Phase:  1
- =>    Bragg R-factor:  4.29    
- =>    RF-factor     :  2.29    
+ =>    Bragg R-factor:  3.51    
+ =>    RF-factor     :  2.14    
 
 
-   Standard deviations have to be multiplied by: 3.3300
+   Standard deviations have to be multiplied by: 2.9554
    (correlated residuals) See references:
   -J.F.Berar & P.Lelann, J. Appl. Cryst. 24, 1-5 (1991) 
   -J.F.Berar, Acc. in Pow. Diff. II,NIST Sp.Pub. 846, 63(1992) 
 
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
  => CYCLE No.:    1
  =>  Convergence reached at this CYCLE !!!!
  =>  Parameter shifts set to zero
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: nuclear                                                               
- ---------------------------------------------------------------------------------------
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: nuclear
+ ------------------------------------------------------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
 
- La       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.53399 0.00000 0.02052  0.02083 0.00000 0.00000
- B        0.19972 0.00000 0.00016  0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.39406 0.00000 0.00000  0.12500 0.00000 0.00000
+ La       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.59951 0.00000 0.00000  0.02083 0.00000 0.00000
+ B        0.19978 0.00000 0.00000  0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.44499 0.00000 0.00000  0.12500 0.00000 0.00000
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
- => Overall scale factor:    136.050689697     0.000000000     0.541358113
+ => Overall scale factor:    141.128494263     0.000000000     0.000000000
  => Eta(p-Voigt) or m(Pearson VII):   0.000000  0.000000  0.000000
  => Overall tem. factor:     0.000000    0.000000    0.000000
  => Halfwidth parameters: 
-         0.143363    0.000000    0.003007
-        -0.522167    0.000000    0.008848
-         0.590411    0.000000    0.007018
+         0.089664    0.000000    0.000000
+        -0.375792    0.000000    0.000000
+         0.476524    0.000000    0.000000
  => Cell parameters: 
         4.156885    0.000000    0.000000
         4.156885    0.000000    0.000000
@@ -554,7 +532,7 @@
          0.000000    0.000000    0.000000
  => X and Y parameters: 
          0.000000    0.000000    0.000000
-         0.054276    0.000000    0.001980
+         0.052425    0.000000    0.000000
  => Strain parameters: 
          0.000000    0.000000    0.000000
          0.000000    0.000000    0.000000
@@ -563,136 +541,119 @@
          0.000000    0.000000    0.000000
          0.000000    0.000000    0.000000
  => Further shape parameters (S_L and D_L): 
-       0.000000  0.000000  0.000000
-       0.000000  0.000000  0.000000
+       0.080000  0.000000  0.000000
+       0.080000  0.000000  0.000000
 
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:    -0.4550    0.0000    0.0107
- => Refined wavelength:   1.623891  0.000000  0.000054
+ => Zero-point:    -0.2111    0.0000    0.0000
  => Background Polynomial Parameters ==>
-       777.52      0.0000      4.4352    
-       52.161      0.0000      11.022    
-       365.26      0.0000      28.543    
-       16.143      0.0000      19.945    
-      -413.53      0.0000      36.034    
+       782.02      0.0000      0.0000    
+       75.285      0.0000      0.0000    
+       291.74      0.0000      0.0000    
+      -3.1490      0.0000      0.0000    
+      -329.24      0.0000      0.0000    
        0.0000      0.0000      0.0000    
 
- => Cos(2theta)-shift parameter :   0.0105  0.0000  0.0057
- => Sin(2theta)-shift parameter :   0.2419  0.0000  0.0082
+ => Cos(2theta)-shift parameter :   0.0528  0.0000  0.0000
+ => Sin(2theta)-shift parameter :   0.0907  0.0000  0.0000
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
- => R-Factors:   7.80      10.5     Chi2:  14.7     DW-Stat.:  0.2431   Patt#:  1
- => Expected :            2.75                                1.8984
- => Deviance : 0.649E+05     Dev*:   21.19    
- => GoF-index:  3.8         Sqrt(Residual/N)
- => N-P+C:  3060
+ => R-Factors:   6.13      8.20     Chi2:  8.84     DW-Stat.:  0.3573   Patt#:  1
+ => Expected :            2.76                                1.8880
+ => Deviance : 0.356E+05     Dev*:   11.58    
+ => GoF-index:  3.0         Sqrt(Residual/N)
+ => N-P+C:  3076
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.3961E+06    0.5079E+07    0.4999E+07    0.4048E+07    0.4494E+05    0.3901E+14
+     0.3114E+06    0.5079E+07    0.5028E+07    0.4048E+07    0.2718E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   15.5      17.9      4.68      14.69    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   12.2      13.9      4.69      8.837    
  => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.2549E+07    0.1397E+07
+ =>  SumYnet, Sum(w Ynet**2):     0.2558E+07    0.1399E+07
 
- => N-sigma of the GoF:      535.391
+ => N-sigma of the GoF:      307.350
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => R-Factors:   7.85      10.6     Chi2:  15.0     DW-Stat.:  0.2435   Patt#:
- => Expected :            2.74                                1.8974
- => Deviance : 0.648E+05     Dev*:   21.64    
- => GoF-index:  3.9         Sqrt(Residual/N)
- => N-P+C:  2993
+ => R-Factors:   6.17      8.24     Chi2:  9.06     DW-Stat.:  0.3585   Patt#:
+ => Expected :            2.74                                1.8863
+ => Deviance : 0.355E+05     Dev*:   11.88    
+ => GoF-index:  3.0         Sqrt(Residual/N)
+ => N-P+C:  2989
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.3945E+06    0.5027E+07    0.4947E+07    0.4001E+07    0.4487E+05    0.3901E+14
+     0.3093E+06    0.5012E+07    0.4962E+07    0.3986E+07    0.2709E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   15.5      17.9      4.63      14.99    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   12.1      13.9      4.62      9.063    
  => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.2550E+07    0.1397E+07
+ =>  SumYnet, Sum(w Ynet**2):     0.2557E+07    0.1399E+07
 
- => N-sigma of the GoF:      541.296
+ => N-sigma of the GoF:      311.690
 
- => Global user-weigthed Chi2 (Bragg contrib.):   15.0    
+ => Global user-weigthed Chi2 (Bragg contrib.):   9.09    
 
  => ---------> Pattern#  1
  => Phase:  1
- =>    Bragg R-factor:  4.29    
- =>    RF-factor     :  2.29    
+ =>    Bragg R-factor:  3.51    
+ =>    RF-factor     :  2.14    
 
- --------------------------------------------------------------------------------------------------------------
- Pattern#  1 Phase No.:   1 Phase name: nuclear                       
- --------------------------------------------------------------------------------------------------------------
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
+ Pattern#  1 Phase No.:   1 Phase name: nuclear
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
 
    No.  Code     H   K   L  Mult     Hw         2theta      Icalc       Iobs      Sigma      HwG     HwL       ETA       d-hkl        CORR
 
-      1   1      1   0   0     6  0.731123      22.527     6938.1     7055.5     33.002  0.701502  0.055338  0.100708  4.156885     25.491478
-      2   1      1   1   0    12  0.702671      32.071     6094.8     6582.2     29.956  0.672443  0.056469  0.106755  2.939362     26.221352
-      3   1      1   1   1     8  0.679890      39.548     6664.0     6862.5     26.046  0.649014  0.057673  0.112510  2.399979     11.997853
-      4   1      2   0   0     6  0.659773      45.990     5208.2     4850.6     23.204  0.628205  0.058957  0.118336  2.078443      6.954412
-      5   1      2   1   0    24  0.641153      51.795     2773.7     2717.3     17.823  0.608843  0.060331  0.124407  1.859016     22.955420
-      6   1      2   1   1    24  0.623422      57.168     2948.6     3172.3     24.444  0.590314  0.061805  0.130844  1.697041     19.754320
-      7   1      2   2   0    12  0.589258      67.072        0.0        0.0      0.014  0.554353  0.065110  0.145264  1.469681      7.929820
-      8   1      2   2   1    24  0.572385      71.744    20307.1    21433.6     45.251  0.536460  0.066975  0.153485  1.385628     14.617603
-      9   1      3   0   0     6  0.572385      71.744     3843.6     4056.8      8.565  0.536460  0.066975  0.153485  1.385628      3.654401
-     10   1      3   1   0    24  0.555443      76.293    12988.1    13622.9     34.899  0.518402  0.069010  0.162567  1.314523     13.664326
-     11   1      3   1   1    24  0.538323      80.755      470.7      477.8      8.237  0.500049  0.071243  0.172683  1.253348     12.926861
-     12   1      2   2   2     8  0.520941      85.161     2836.9     2757.5     18.364  0.481298  0.073707  0.184038  1.199989      4.119280
-     13   1      3   2   0    24  0.503252      89.539      397.1      332.6     10.381  0.462075  0.076445  0.196882  1.152912     11.926045
-     14   1      3   2   1    48  0.485265      93.914      416.5      469.1     14.985  0.442354  0.079514  0.211510  1.110974     23.222313
-     15   1      4   0   0     6  0.448975     102.760     4735.6     4690.3     24.144  0.401781  0.086953  0.247468  1.039221      2.822332
-     16   1      3   2   2    24  0.431516     107.288     4353.1     4700.2     20.231  0.381620  0.091551  0.269402  1.008193     11.276948
-     17   1      4   1   0    24  0.431516     107.288      343.1      370.5      1.595  0.381620  0.091551  0.269402  1.008193     11.276948
-     18   1      4   1   1    24  0.415864     111.930      171.0      181.3      0.552  0.362740  0.096966  0.293981  0.979787     11.370904
-     19   1      3   3   0    12  0.415864     111.930    11466.1    12156.0     36.977  0.362740  0.096966  0.293981  0.979787      5.685451
-     20   1      3   3   1    24  0.404276     116.729     1145.8     1299.9     13.357  0.347235  0.103472  0.320231  0.953655     11.587397
-     21   1      4   2   0    24  0.401069     121.741     2696.8     2595.7     17.429  0.339205  0.111491  0.345247  0.929508     11.956338
-     22   1      4   2   1    48  0.414197     127.041     9334.1     9230.2     31.532  0.346321  0.121719  0.363044  0.907107     25.062881
-     23   1      3   3   2    24  0.457532     132.741     4943.5     5070.1     27.003  0.381974  0.135403  0.365354  0.886251     13.413371
-     24   1      4   2   2    24  0.755660     146.232     1629.3     1726.5     16.331  0.652895  0.186866  0.310303  0.848521     17.242252
-     25   1      4   3   0    24  1.222625     155.176     9408.7     9332.8     28.932  1.085192  0.252498  0.262741  0.831377     22.545769
-     26   1      5   0   0     6  1.222625     155.176      170.9      169.5      0.525  1.085192  0.252498  0.262741  0.831377      5.636442
+      1   1      1   0   0     6  0.665243      22.508     7203.4     7324.4     32.424  0.636629  0.053453  0.106739  4.156885     25.533165
+      2   1      1   1   0    12  0.642395      32.043     6318.8     6755.8     30.036  0.613194  0.054544  0.112613  2.939362     26.262938
+      3   1      1   1   1     8  0.624063      39.514     6878.7     6996.1     26.093  0.594237  0.055704  0.118209  2.399979     12.016245
+      4   1      2   0   0     6  0.607835      45.949     5372.3     4941.8     23.283  0.577341  0.056942  0.123873  2.078443      6.964681
+      5   1      2   1   0    24  0.592773      51.748     2855.5     2771.8     17.925  0.561562  0.058266  0.129767  1.859016     22.987938
+      6   1      2   1   1    24  0.578382      57.116     3039.2     3227.5     24.085  0.546402  0.059687  0.136009  1.697041     19.781029
+      7   1      2   2   0    12  0.550480      67.009        0.1        0.0      0.030  0.516765  0.062871  0.149958  1.469681      7.939377
+      8   1      2   2   1    24  0.536585      71.674    20799.8    21409.8     45.082  0.501887  0.064668  0.157894  1.385628     14.633998
+      9   1      3   0   0     6  0.536585      71.674     3940.5     4056.1      8.541  0.501887  0.064668  0.157894  1.385628      3.658499
+     10   1      3   1   0    24  0.522534      76.217    13268.1    13622.7     34.977  0.486759  0.066627  0.166651  1.314523     13.678393
+     11   1      3   1   1    24  0.508206      80.673      477.5      469.3      8.197  0.471244  0.068776  0.176403  1.253348     12.938837
+     12   1      2   2   2     8  0.493489      85.073     2902.1     2730.5     18.475  0.455208  0.071148  0.187359  1.199989      4.122622
+     13   1      3   2   0    24  0.478281      89.443      405.5      309.0     10.532  0.438524  0.073783  0.199784  1.152913     11.934164
+     14   1      3   2   1    48  0.462494      93.811      416.3      423.1     15.331  0.421069  0.076734  0.214014  1.110974     23.234653
+     15   1      4   0   0     6  0.428982     102.639     4796.1     4657.7     24.020  0.383436  0.083883  0.249700  1.039221      2.822761
+     16   1      3   2   2    24  0.411348     107.157     4399.3     4679.0     20.223  0.363196  0.088299  0.272341  1.008193     11.275879
+     17   1      4   1   0    24  0.411348     107.157      354.1      376.6      1.628  0.363196  0.088299  0.272341  1.008193     11.275879
+     18   1      4   1   1    24  0.393513     111.788      172.5      181.3      0.552  0.342232  0.093494  0.299108  0.979787     11.366376
+     19   1      3   3   0    12  0.393513     111.788    11550.3    12133.0     36.971  0.342232  0.093494  0.299108  0.979787      5.683188
+     20   1      3   3   1    24  0.376371     116.573     1159.1     1300.7     13.438  0.321249  0.099730  0.330530  0.953655     11.578339
+     21   1      4   2   0    24  0.362027     121.569     2703.8     2597.8     17.556  0.302078  0.107406  0.366176  0.929508     11.940996
+     22   1      4   2   1    48  0.355294     126.848     9306.7     9242.7     31.727  0.289158  0.117181  0.402617  0.907107     25.013470
+     23   1      3   3   2    24  0.366782     132.522     4909.2     5088.3     27.623  0.292622  0.130225  0.429826  0.886251     13.373430
+     24   1      4   2   2    24  0.553333     145.917     1626.1     1741.1     17.079  0.452601  0.178883  0.395498  0.848521     17.110455
+     25   1      4   3   0    24  0.897736     154.742     9303.3     9244.9     29.092  0.765120  0.239784  0.332940  0.831377     22.194666
+     26   1      5   0   0     6  0.897736     154.742      170.6      169.6      0.534  0.765120  0.239784  0.332940  0.831377      5.548666
 
      -----------------------------------------------------
      BRAGG R-Factors and weight fractions for Pattern #  1
      -----------------------------------------------------
 
  => Phase:  1     nuclear
- => Bragg R-factor:   4.29       Vol:   71.830( 0.000)  Fract(%):  100.00( 0.56)
- => Rf-factor=  2.30             ATZ:         203.711   Brindley:  1.0000
+ => Bragg R-factor:   3.51       Vol:   71.830( 0.000)  Fract(%):  100.00( 0.00)
+ => Rf-factor=  2.14             ATZ:         203.711   Brindley:  1.0000
 
      -----------------------------------------------------------------
       SYMBOLIC NAMES AND FINAL VALUES AND SIGMA OF REFINED PARAMETERS:
      -----------------------------------------------------------------
 
-      ->  Parameter number    1 :                                     Scale_ph1_pat1     136.05069    ( +/-    0.54135811     )
-      ->  Parameter number    2 :                                    W-Cagl_ph1_pat1    0.59041089    ( +/-    0.70175105E-02 )
-      ->  Parameter number    3 :                                    U-Cagl_ph1_pat1    0.14336255    ( +/-    0.30074082E-02 )
-      ->  Parameter number    4 :                                    V-Cagl_ph1_pat1   -0.52216685    ( +/-    0.88482937E-02 )
-      ->  Parameter number    5 :                                          Zero_pat1   -0.45501408    ( +/-    0.10736253E-01 )
-      ->  Parameter number    6 :                                        Lambda_pat1     1.6238911    ( +/-    0.54062115E-04 )
-      ->  Parameter number    7 :                                         Bck_0_pat1     777.52069    ( +/-     4.4352422     )
-      ->  Parameter number    8 :                                         Bck_1_pat1     52.161037    ( +/-     11.022367     )
-      ->  Parameter number    9 :                                         Bck_2_pat1     365.25705    ( +/-     28.543390     )
-      ->  Parameter number   10 :                                         Bck_3_pat1     16.142534    ( +/-     19.944916     )
-      ->  Parameter number   11 :                                         Bck_4_pat1    -413.53439    ( +/-     36.033504     )
-      ->  Parameter number   12 :                                     Y-cos_ph1_pat1    0.54276168E-01( +/-    0.19804169E-02 )
-      ->  Parameter number   13 :                                            X_B_ph1    0.19972004    ( +/-    0.16239197E-03 )
-      ->  Parameter number   14 :                                         SyCos_pat1    0.10518164E-01( +/-    0.57394444E-02 )
-      ->  Parameter number   15 :                                        Biso_La_ph1    0.53399444    ( +/-    0.20518685E-01 )
-      ->  Parameter number   16 :                                         SySin_pat1    0.24192223    ( +/-    0.81607848E-02 )
 
  ------------------------------------------------------------------
  => Number of bytes for floating point variables: 4
  => Dimensions of dynamic allocated arrays in this run of FullProf:
  ------------------------------------------------------------------
 
- => Total approximate array memory (dynamic + static): 156326598 bytes
+ => Total approximate array memory (dynamic + static): 132451053 bytes
 
     MaxPOINT=    80000 Max.num. of points(+int. Inten.)/diffraction pattern       
     MaxREFLT=    25000 Max.num. of reflections/diffraction pattern               
@@ -717,7 +678,7 @@
     NGL     =      400 Max.num. of global parameters/diffraction pattern          
     N_LINC  =       50 Max.num. of global linear restraints                        
     NAT_P   =       80 Max.num. of atomic parameters per atom                     
-    NCONST  =      500 Max.num. of slack constraints per phase                    
+    NCONST  =     3500 Max.num. of slack constraints per phase                    
     N_SPE   =       30 Max.num. of different chemical species                     
     N_FORM  =       60 Max.num. of scattering factor values in a table            
     NPR     =      150 Max.num. of points defining a numerical profile            
@@ -726,7 +687,7 @@
     NSOL    =       10 Max.num. of solutions to be stored in Montecarlo searchs   
 
  
-              CPU Time:     0.191 seconds
-                            0.003 minutes
+              CPU Time:     0.602 seconds
+                            0.010 minutes
 
- => Run finished at:     Date: 08/06/2026  Time: 14:22:23.441                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:02.322                              
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.pcr b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.pcr
index f5e0343ff..5403470f9 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.pcr
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.pcr
@@ -1,17 +1,17 @@
 COMM LaB6 Ge(331)
-! Current global Chi2 (Bragg contrib.) =      15.02    
+! Current global Chi2 (Bragg contrib.) =      9.094    
 ! Files => DAT-file: ECH0030684_LaB6_1p622A.dat,  PCR-file: ECH0030684_LaB6_1p622A
 !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut
    1   7   1   0   2   1   0   1   0   0   1   0   0   0   0   0   0   0   1
 !
 !Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana
-   2   0   1   0   1   0   4   0   0  -3  10  -1   0   0   0   0   1
+   2   2   1   0   1   0   4   0   0   2  10  -1   0   0   0   0   1
 !
 ! Lambda1  Lambda2    Ratio    Bkpos    Wdt    Cthm     muR   AsyLim   Rpolarz  2nd-muR -> Patt# 1
- 1.623891 1.623891  0.00000   80.000 12.0000  0.0000  0.7000  180.00    0.0000  0.0000
+ 1.622527 1.622527  0.00000   80.000  12.000  0.0000  0.7000  180.00    0.0000  0.0000
 !
 !NCY  Eps  R_at  R_an  R_pr  R_gl     Thmin       Step       Thmax    PSD    Sent0
-100  0.10  0.04  0.04  0.04  0.04      4.1642   0.049998   163.7564   0.000   0.000
+200  0.10  0.04  0.04  0.04  0.04      4.1642   0.049998   163.7564   0.000   0.000
 !
 ! Excluded regions (LowT  HighT) for Pattern#  1
         0.00       10.00
@@ -20,15 +20,15 @@ COMM LaB6 Ge(331)
 ! Additional scattering factors for Pattern#  1
 B11     0.66500    0.00000   0
 !
-      16    !Number of refined parameters
+       0    !Number of refined parameters
 !
 !  Zero    Code    SyCos    Code   SySin    Code  Lambda     Code MORE ->Patt# 1
- -0.45501   51.0  0.01052  141.0  0.24192  161.0 1.623891   61.00   0
+ -0.21110    0.0  0.05281    0.0  0.09068    0.0 1.622527    0.00   0
 !   Background coefficients/codes  for Pattern#  1  (Polynomial of 6th degree)
-     777.521      52.161     365.257      16.143    -413.534       0.000
-       71.00       81.00       91.00      101.00      111.00        0.00
+     782.022      75.285     291.744      -3.149    -329.244       0.000
+        0.00        0.00        0.00        0.00        0.00        0.00
 !-------------------------------------------------------------------------------
-!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   4.2881
+!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   3.5101
 !-------------------------------------------------------------------------------
 nuclear
 !
@@ -38,22 +38,22 @@ nuclear
 !
 P m -3 m                 <--Space group symbol
 !Atom   Typ       X        Y        Z     Biso       Occ     In Fin N_t Spc /Codes
-La     La      0.00000  0.00000  0.00000  0.53399   0.02083   0   0   0    0  
-                  0.00     0.00     0.00   151.00      0.00
-B      B11     0.19972  0.50000  0.50000  0.39406   0.12500   0   0   0    0  
-                131.00     0.00     0.00     0.00      0.00
+La     La      0.00000  0.00000  0.00000  0.59951   0.02083   0   0   0    0  
+                  0.00     0.00     0.00     0.00      0.00
+B      B11     0.19978  0.50000  0.50000  0.44499   0.12500   0   0   0    0  
+                  0.00     0.00     0.00     0.00      0.00
 !-------> Profile Parameters for Pattern #   1  ----> Phase #   1
 !  Scale          Shape1      Bov      Str1      Str2      Str3   Strain-Model
-  136.0507       0.00000   0.00000   0.00000   0.00000   0.00000       0
-      11.00000     0.000     0.000     0.000     0.000     0.000
+  141.1285       0.00000   0.00000   0.00000   0.00000   0.00000       0
+       0.00000     0.000     0.000     0.000     0.000     0.000
 !       U            V            W             X            Y         GauSiz      LorSiz    Size-Model
-     0.143363    -0.522167     0.590411     0.000000     0.054276     0.000000     0.000000       0
-        31.00        41.00        21.00         0.00       121.00         0.00         0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
+     0.089664    -0.375792     0.476524     0.000000     0.052425     0.000000     0.000000       0
+         0.00         0.00         0.00         0.00         0.00         0.00         0.00
+!     a          b         c        alpha      beta       gamma      # Cell Info
    4.156885   4.156885   4.156885  90.000000  90.000000  90.000000   
     0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 !  Pref1    Pref2      Asy1     Asy2     Asy3     Asy4      S_L      D_L
-  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000
+  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.08000  0.08000
      0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
 !  2Th1/TOF1    2Th2/TOF2  Pattern to plot
       10.000     163.756       1
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.prf b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.prf
index e751cc1f8..98f24ef40 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.prf
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.prf
@@ -1,3200 +1,3266 @@
- LaB6 Ge(331)    CELL:    4.15689   4.15689   4.15689   90.0000   90.0000   90.0000   SPGR: P m -3 m               TEMP:      0.00
-  1   3194     1.62389     1.62389    -0.45501     0.01052     0.24192    0
-   28    0    2
-       0.00000      10.00000
-     164.00000     180.00000
- 2Theta	Yobs	Ycal	Yobs-Ycal	Backg	Bragg	Posr	(hkl)	K
-      4.1642	   249.3	   708.6	-10475.6	   531.5	     22.1749	       0	(  1  0  0)	  0  1
-      4.2143	   242.8	   709.1	-10475.6	   532.0	     31.7532	       0	(  1  1  0)	  0  1
-      4.2643	   262.0	   709.6	-10475.6	   532.5	     39.2555	       0	(  1  1  1)	  0  1
-      4.3142	   374.5	   710.1	-10475.6	   533.0	     45.7163	       0	(  2  0  0)	  0  1
-      4.3642	   435.3	   710.6	-10475.6	   533.5	     51.5364	       0	(  2  1  0)	  0  1
-      4.4142	   647.9	   711.1	-10475.6	   534.0	     56.9221	       0	(  2  1  1)	  0  1
-      4.4641	   806.7	   711.6	-10475.6	   534.5	     66.8443	       0	(  2  2  0)	  0  1
-      4.5142	   868.3	   712.1	-10475.6	   535.0	     71.5220	       0	(  2  2  1)	  0  1
-      4.5641	  1082.8	   712.6	-10475.6	   535.5	     71.5220	       0	(  3  0  0)	  0  1
-      4.6140	  1245.9	   713.1	-10475.6	   536.0	     76.0754	       0	(  3  1  0)	  0  1
-      4.6640	  1161.6	   713.6	-10475.6	   536.5	     80.5405	       0	(  3  1  1)	  0  1
-      4.7139	  1270.9	   714.1	-10475.6	   537.0	     84.9482	       0	(  2  2  2)	  0  1
-      4.7639	  1353.1	   714.6	-10475.6	   537.5	     89.3259	       0	(  3  2  0)	  0  1
-      4.8139	  1395.0	   715.1	-10475.6	   537.9	     93.6995	       0	(  3  2  1)	  0  1
-      4.8639	  1344.3	   715.6	-10475.6	   538.4	    102.5385	       0	(  4  0  0)	  0  1
-      4.9136	  1395.6	   716.1	-10475.6	   538.9	    107.0605	       0	(  3  2  2)	  0  1
-      4.9637	  1418.4	   716.6	-10475.6	   539.4	    107.0605	       0	(  4  1  0)	  0  1
-      5.0138	  1512.2	   717.0	-10475.6	   539.9	    111.6954	       0	(  4  1  1)	  0  1
-      5.0637	  1533.2	   717.5	-10475.6	   540.4	    111.6954	       0	(  3  3  0)	  0  1
-      5.1165	  1511.1	   718.0	-10475.6	   540.9	    116.4857	       0	(  3  3  1)	  0  1
-      5.1666	  1557.8	   718.5	-10475.6	   541.3	    121.4862	       0	(  4  2  0)	  0  1
-      5.2167	  1571.0	   719.0	-10475.6	   541.8	    126.7727	       0	(  4  2  1)	  0  1
-      5.2668	  1524.0	   719.5	-10475.6	   542.3	    132.4568	       0	(  3  3  2)	  0  1
-      5.3167	  1557.1	   719.9	-10475.6	   542.8	    145.9030	       0	(  4  2  2)	  0  1
-      5.3667	  1518.5	   720.4	-10475.6	   543.2	    154.8130	       0	(  4  3  0)	  0  1
-      5.4168	  1492.8	   720.9	-10475.6	   543.7	    154.8130	       0	(  5  0  0)	  0  1
-      5.4668	  1467.5	   721.3	-10475.6	   544.2	    169.2844	       0	(  4  3  1)	  0  1
-      5.5168	  1642.5	   721.8	-10475.6	   544.7	    169.2844	       0	(  5  1  0)	  0  1
-      5.5667	  1467.9	   722.3	-10475.6	   545.1
-      5.6167	  1480.7	   722.8	-10475.6	   545.6
-      5.6668	  1504.7	   723.2	-10475.6	   546.1
-      5.7167	  1493.8	   723.7	-10475.6	   546.5
-      5.7667	  1526.2	   724.1	-10475.6	   547.0
-      5.8166	  1448.0	   724.6	-10475.6	   547.4
-      5.8666	  1480.7	   725.1	-10475.6	   547.9
-      5.9165	  1399.5	   725.5	-10475.6	   548.4
-      5.9665	  1416.7	   726.0	-10475.6	   548.8
-      6.0165	  1395.4	   726.4	-10475.6	   549.3
-      6.0665	  1287.2	   726.9	-10475.6	   549.7
-      6.1164	  1413.8	   727.3	-10475.6	   550.2
-      6.1662	  1294.1	   727.8	-10475.6	   550.6
-      6.2162	  1329.7	   728.2	-10475.6	   551.1
-      6.2663	  1295.2	   728.7	-10475.6	   551.5
-      6.3162	  1221.6	   729.1	-10475.6	   552.0
-      6.3616	  1239.2	   729.5	-10475.6	   552.4
-      6.4117	  1234.4	   730.0	-10475.6	   552.8
-      6.4618	  1176.3	   730.4	-10475.6	   553.3
-      6.5119	  1230.7	   730.9	-10475.6	   553.7
-      6.5618	  1157.7	   731.3	-10475.6	   554.1
-      6.6118	  1123.2	   731.7	-10475.6	   554.6
-      6.6619	  1173.2	   732.2	-10475.6	   555.0
-      6.7119	  1163.5	   732.6	-10475.6	   555.4
-      6.7619	  1160.6	   733.0	-10475.6	   555.9
-      6.8118	  1090.3	   733.5	-10475.6	   556.3
-      6.8618	  1089.2	   733.9	-10475.6	   556.7
-      6.9119	  1115.9	   734.3	-10475.6	   557.2
-      6.9618	  1035.1	   734.8	-10475.6	   557.6
-      7.0118	  1073.9	   735.2	-10475.6	   558.0
-      7.0617	  1088.7	   735.6	-10475.6	   558.5
-      7.1117	  1060.7	   736.0	-10475.6	   558.9
-      7.1616	  1001.2	   736.5	-10475.6	   559.3
-      7.2116	  1051.1	   736.9	-10475.6	   559.7
-      7.2616	  1038.8	   737.3	-10475.6	   560.1
-      7.3116	   987.6	   737.7	-10475.6	   560.6
-      7.3615	  1032.9	   738.1	-10475.6	   561.0
-      7.4113	  1014.7	   738.5	-10475.6	   561.4
-      7.4613	   967.7	   739.0	-10475.6	   561.8
-      7.5114	  1053.0	   739.4	-10475.6	   562.2
-      7.5613	   987.2	   739.8	-10475.6	   562.6
-      7.6176	  1027.2	   740.3	-10475.6	   563.1
-      7.6677	   957.7	   740.7	-10475.6	   563.5
-      7.7178	   950.3	   741.1	-10475.6	   563.9
-      7.7679	   965.6	   741.5	-10475.6	   564.3
-      7.8179	   908.6	   741.9	-10475.6	   564.7
-      7.8678	   990.9	   742.3	-10475.6	   565.1
-      7.9179	   948.8	   742.7	-10475.6	   565.5
-      7.9679	  1014.2	   743.1	-10475.6	   565.9
-      8.0180	   909.6	   743.5	-10475.6	   566.3
-      8.0678	   963.5	   743.9	-10475.6	   566.7
-      8.1179	   957.0	   744.3	-10475.6	   567.1
-      8.1679	   941.6	   744.7	-10475.6	   567.5
-      8.2178	   944.7	   745.1	-10475.6	   567.9
-      8.2678	   958.4	   745.5	-10475.6	   568.3
-      8.3178	   915.6	   745.9	-10475.6	   568.7
-      8.3677	   926.9	   746.3	-10475.6	   569.1
-      8.4176	   898.3	   746.6	-10475.6	   569.5
-      8.4676	   883.9	   747.0	-10475.6	   569.9
-      8.5176	   908.0	   747.4	-10475.6	   570.3
-      8.5676	   840.8	   747.8	-10475.6	   570.6
-      8.6175	   854.4	   748.2	-10475.6	   571.0
-      8.6673	   909.8	   748.6	-10475.6	   571.4
-      8.7174	   933.9	   748.9	-10475.6	   571.8
-      8.7675	   884.0	   749.3	-10475.6	   572.2
-      8.8174	   872.5	   749.7	-10475.6	   572.6
-      8.8702	   889.4	   750.1	-10475.6	   573.0
-      8.9203	   872.9	   750.5	-10475.6	   573.3
-      8.9704	   910.7	   750.9	-10475.6	   573.7
-      9.0205	   870.0	   751.2	-10475.6	   574.1
-      9.0704	   860.0	   751.6	-10475.6	   574.5
-      9.1204	   858.0	   752.0	-10475.6	   574.8
-      9.1704	   834.3	   752.4	-10475.6	   575.2
-      9.2205	   856.8	   752.7	-10475.6	   575.6
-      9.2705	   837.2	   753.1	-10475.6	   575.9
-      9.3204	   822.6	   753.5	-10475.6	   576.3
-      9.3704	   863.2	   753.8	-10475.6	   576.7
-      9.4205	   827.6	   754.2	-10475.6	   577.0
-      9.4704	   826.7	   754.5	-10475.6	   577.4
-      9.5204	   842.4	   754.9	-10475.6	   577.8
-      9.5703	   902.9	   755.3	-10475.6	   578.1
-      9.6203	   827.2	   755.6	-10475.6	   578.5
-      9.6702	   846.3	   756.0	-10475.6	   578.8
-      9.7201	   825.7	   756.3	-10475.6	   579.2
-      9.7702	   765.9	   756.7	-10475.6	   579.5
-      9.8201	   845.0	   757.0	-10475.6	   579.9
-      9.8701	   850.4	   757.4	-10475.6	   580.2
-      9.9199	   841.4	   757.7	-10475.6	   580.6
-      9.9699	   832.2	   758.1	-10475.6	   580.9
-     10.0200	   780.7	   758.4	-10453.4	   581.3
-     10.0699	   839.4	   758.8	-10395.0	   581.6
-     10.1250	   805.0	   759.2	-10429.8	   582.0
-     10.1751	   736.6	   759.5	-10498.6	   582.4
-     10.2252	   815.4	   759.9	-10420.1	   582.7
-     10.2753	   793.9	   760.2	-10441.9	   583.1
-     10.3252	   817.7	   760.6	-10418.5	   583.4
-     10.3752	   770.7	   760.9	-10465.8	   583.7
-     10.4252	   804.5	   761.2	-10432.4	   584.1
-     10.4753	   727.0	   761.6	-10510.2	   584.4
-     10.5253	   751.8	   761.9	-10485.8	   584.8
-     10.5752	   764.0	   762.2	-10473.8	   585.1
-     10.6252	   802.5	   762.6	-10435.7	   585.4
-     10.6753	   752.7	   762.9	-10485.8	   585.8
-     10.7252	   793.8	   763.2	-10445.0	   586.1
-     10.7752	   776.9	   763.6	-10462.3	   586.4
-     10.8251	   791.1	   763.9	-10448.5	   586.7
-     10.8750	   788.8	   764.2	-10451.1	   587.1
-     10.9250	   784.6	   764.6	-10455.6	   587.4
-     10.9749	   775.3	   764.9	-10465.2	   587.7
-     11.0250	   754.2	   765.2	-10486.7	   588.0
-     11.0749	   787.3	   765.5	-10453.8	   588.4
-     11.1249	   813.3	   765.8	-10428.1	   588.7
-     11.1746	   713.6	   766.2	-10528.2	   589.0
-     11.2247	   731.3	   766.5	-10510.8	   589.3
-     11.2748	   726.1	   766.8	-10516.3	   589.7
-     11.3247	   779.3	   767.1	-10463.5	   590.0
-     11.3744	   762.1	   767.4	-10481.0	   590.3
-     11.4245	   760.1	   767.8	-10483.3	   590.6
-     11.4746	   802.5	   768.1	-10441.2	   590.9
-     11.5247	   755.9	   768.4	-10488.1	   591.2
-     11.5747	   768.5	   768.7	-10475.8	   591.5
-     11.6246	   790.0	   769.0	-10454.6	   591.9
-     11.6747	   734.1	   769.3	-10510.9	   592.2
-     11.7247	   784.4	   769.6	-10460.8	   592.5
-     11.7748	   724.7	   769.9	-10520.9	   592.8
-     11.8246	   779.1	   770.2	-10466.8	   593.1
-     11.8746	   752.7	   770.5	-10493.4	   593.4
-     11.9247	   733.5	   770.8	-10512.9	   593.7
-     11.9746	   746.8	   771.1	-10500.0	   594.0
-     12.0246	   765.6	   771.4	-10481.5	   594.3
-     12.0746	   750.7	   771.7	-10496.7	   594.6
-     12.1245	   779.9	   772.0	-10467.8	   594.9
-     12.1744	   761.6	   772.3	-10486.4	   595.2
-     12.2244	   725.7	   772.6	-10522.6	   595.5
-     12.2744	   807.2	   772.9	-10441.4	   595.8
-     12.3244	   745.8	   773.2	-10503.1	   596.1
-     12.3743	   788.0	   773.5	-10461.1	   596.4
-     12.4241	   725.6	   773.8	-10523.8	   596.7
-     12.4742	   761.6	   774.1	-10488.1	   597.0
-     12.5242	   768.7	   774.4	-10481.4	   597.2
-     12.5741	   785.7	   774.7	-10464.6	   597.5
-     12.6135	   764.4	   774.9	-10486.2	   597.8
-     12.6636	   727.5	   775.2	-10523.4	   598.0
-     12.7136	   746.8	   775.5	-10504.3	   598.3
-     12.7638	   786.3	   775.8	-10465.1	   598.6
-     12.8137	   765.9	   776.1	-10485.7	   598.9
-     12.8637	   776.8	   776.3	-10475.2	   599.2
-     12.9137	   736.7	   776.6	-10515.6	   599.5
-     12.9638	   728.2	   776.9	-10524.4	   599.7
-     13.0138	   757.2	   777.2	-10495.6	   600.0
-     13.0637	   781.6	   777.5	-10471.4	   600.3
-     13.1137	   763.7	   777.7	-10489.7	   600.6
-     13.1638	   732.7	   778.0	-10520.9	   600.9
-     13.2136	   745.9	   778.3	-10508.0	   601.1
-     13.2636	   760.5	   778.6	-10493.7	   601.4
-     13.3136	   784.2	   778.8	-10470.2	   601.7
-     13.3635	   741.5	   779.1	-10513.3	   601.9
-     13.4135	   733.6	   780.4	-10522.4	   602.2
-     13.4634	   775.0	   780.7	-10481.3	   602.5
-     13.5134	   758.7	   781.0	-10498.0	   602.7
-     13.5634	   754.4	   781.3	-10502.5	   603.0
-     13.6134	   701.2	   781.5	-10556.0	   603.3
-     13.6631	   778.4	   781.8	-10479.1	   603.5
-     13.7132	   739.7	   782.1	-10518.0	   603.8
-     13.7633	   722.3	   782.4	-10535.7	   604.1
-     13.8132	   779.2	   782.7	-10479.1	   604.3
-     13.8679	   740.3	   783.0	-10518.3	   604.6
-     13.9180	   738.7	   783.2	-10520.2	   604.9
-     13.9681	   784.7	   783.5	-10474.5	   605.1
-     14.0182	   755.8	   783.8	-10503.6	   605.4
-     14.0681	   733.0	   784.0	-10526.6	   605.6
-     14.1181	   725.4	   784.3	-10534.6	   605.9
-     14.1682	   754.7	   784.6	-10505.5	   606.2
-     14.2182	   765.2	   784.9	-10495.3	   606.4
-     14.2683	   801.3	   785.1	-10459.5	   606.7
-     14.3181	   804.7	   785.4	-10456.3	   606.9
-     14.3681	   756.4	   785.7	-10504.9	   607.2
-     14.4182	   766.1	   785.9	-10495.5	   607.4
-     14.4681	   780.8	   786.2	-10481.0	   607.7
-     14.5181	   741.1	   786.4	-10521.0	   607.9
-     14.5681	   729.7	   786.7	-10532.6	   608.2
-     14.6180	   750.0	   787.0	-10512.6	   608.4
-     14.6679	   759.6	   787.2	-10503.3	   608.6
-     14.7179	   758.7	   787.5	-10504.4	   608.9
-     14.7679	   777.1	   787.8	-10486.2	   609.1
-     14.8179	   741.1	   788.0	-10522.5	   609.4
-     14.8678	   738.3	   788.3	-10525.6	   609.6
-     14.9176	   764.5	   788.5	-10499.6	   609.8
-     14.9677	   764.5	   788.8	-10499.9	   610.1
-     15.0177	   796.7	   789.1	-10468.0	   610.3
-     15.0676	   744.1	   789.3	-10520.8	   610.5
-     15.1240	   723.9	   789.6	-10541.3	   610.8
-     15.1741	   750.8	   789.9	-10514.6	   611.0
-     15.2241	   795.6	   790.1	-10470.1	   611.3
-     15.2742	   747.7	   790.4	-10518.3	   611.5
-     15.3242	   745.6	   790.6	-10520.7	   611.7
-     15.3742	   743.1	   790.9	-10523.4	   612.0
-     15.4242	   773.5	   791.1	-10493.3	   612.2
-     15.4742	   765.9	   791.4	-10501.2	   612.4
-     15.5243	   699.9	   791.6	-10567.4	   612.6
-     15.5742	   732.4	   791.9	-10535.1	   612.9
-     15.6242	   768.5	   792.1	-10499.2	   613.1
-     15.6742	   699.3	   792.4	-10568.7	   613.3
-     15.7241	   769.5	   792.7	-10498.7	   613.5
-     15.7741	   743.3	   792.9	-10525.2	   613.8
-     15.8241	   719.5	   793.2	-10549.3	   614.0
-     15.8740	   707.7	   793.4	-10561.4	   614.2
-     15.9240	   720.1	   793.7	-10549.2	   614.4
-     15.9739	   775.1	   793.9	-10494.5	   614.6
-     16.0239	   732.6	   794.2	-10537.2	   614.9
-     16.0739	   723.7	   794.4	-10546.4	   615.1
-     16.1238	   763.3	   794.7	-10507.0	   615.3
-     16.1736	   755.3	   794.9	-10515.2	   615.5
-     16.2237	   746.6	   795.2	-10524.1	   615.7
-     16.2738	   736.4	   795.4	-10534.7	   615.9
-     16.3237	   751.9	   795.7	-10519.4	   616.1
-     16.3580	   796.2	   795.8	-10475.3	   616.3
-     16.4081	   749.6	   796.1	-10522.1	   616.5
-     16.4582	   783.5	   796.3	-10488.4	   616.7
-     16.5083	   785.4	   796.6	-10486.8	   616.9
-     16.5583	   786.9	   796.8	-10485.5	   617.1
-     16.6082	   741.6	   797.1	-10531.1	   617.3
-     16.6583	   749.5	   797.3	-10523.4	   617.5
-     16.7083	   728.2	   797.6	-10545.0	   617.7
-     16.7584	   760.8	   797.8	-10512.7	   617.9
-     16.8082	   732.6	   798.1	-10541.1	   618.1
-     16.8583	   712.6	   798.3	-10561.3	   618.3
-     16.9083	   761.3	   798.6	-10512.9	   618.5
-     16.9582	   703.7	   798.8	-10570.8	   618.7
-     17.0082	   726.8	   799.1	-10547.9	   618.9
-     17.0582	   769.5	   799.4	-10505.4	   619.1
-     17.1081	   761.8	   799.6	-10513.5	   619.3
-     17.1580	   783.2	   799.9	-10492.2	   619.5
-     17.2080	   803.0	   800.1	-10472.7	   619.7
-     17.2580	   688.3	   800.4	-10587.7	   619.9
-     17.3080	   773.2	   800.6	-10503.1	   620.1
-     17.3579	   786.3	   800.9	-10490.2	   620.3
-     17.4077	   791.9	   801.2	-10484.9	   620.4
-     17.4578	   804.5	   801.4	-10472.5	   620.6
-     17.5079	   739.5	   801.7	-10537.8	   620.8
-     17.5578	   787.4	   802.0	-10490.2	   621.0
-     17.5949	   771.3	   802.2	-10506.5	   621.2
-     17.6450	   774.4	   802.4	-10503.7	   621.3
-     17.6951	   763.2	   802.7	-10515.1	   621.5
-     17.7452	   780.1	   803.0	-10498.5	   621.7
-     17.7952	   820.8	   803.3	-10458.0	   621.9
-     17.8451	   789.9	   803.5	-10489.2	   622.1
-     17.8952	   792.4	   803.8	-10487.1	   622.2
-     17.9452	   764.7	   804.1	-10515.1	   622.4
-     17.9953	   778.8	   804.4	-10501.2	   622.6
-     18.0451	   769.2	   804.7	-10511.2	   622.8
-     18.0951	   734.5	   805.0	-10546.1	   623.0
-     18.1452	   784.9	   805.3	-10496.0	   623.1
-     18.1951	   716.3	   805.6	-10564.8	   623.3
-     18.2451	   733.7	   805.9	-10547.8	   623.5
-     18.2951	   785.5	   806.2	-10496.3	   623.7
-     18.3450	   723.6	   806.5	-10558.5	   623.8
-     18.3949	   752.8	   806.8	-10529.6	   624.0
-     18.4449	   756.6	   807.1	-10526.2	   624.2
-     18.4949	   734.3	   807.5	-10548.8	   624.3
-     18.5449	   770.4	   807.8	-10513.0	   624.5
-     18.5948	   750.7	   808.1	-10533.1	   624.7
-     18.6446	   808.0	   808.5	-10476.1	   624.8
-     18.6947	   773.3	   808.8	-10511.1	   625.0
-     18.7447	   796.9	   809.2	-10487.9	   625.2
-     18.7946	   763.1	   809.6	-10522.1	   625.3
-     18.8398	   752.3	   809.9	-10533.2	   625.5
-     18.8899	   695.5	   810.3	-10590.4	   625.7
-     18.9400	   759.7	   810.7	-10526.5	   625.8
-     18.9901	   828.6	   811.1	-10458.1	   626.0
-     19.0400	   786.3	   811.5	-10500.8	   626.1
-     19.0900	   797.6	   811.9	-10490.0	   626.3
-     19.1400	   737.6	   812.3	-10550.4	   626.5
-     19.1901	   794.5	   812.8	-10493.9	   626.6
-     19.2401	   755.8	   813.2	-10533.1	   626.8
-     19.2900	   723.1	   813.7	-10566.2	   626.9
-     19.3400	   744.4	   814.2	-10545.4	   627.1
-     19.3901	   782.8	   814.7	-10507.6	   627.2
-     19.4400	   776.4	   815.3	-10514.5	   627.4
-     19.4900	   775.1	   815.8	-10516.4	   627.5
-     19.5399	   774.2	   816.4	-10517.8	   627.7
-     19.5899	   724.7	   817.0	-10567.9	   627.8
-     19.6398	   792.5	   817.6	-10500.7	   628.0
-     19.6897	   830.3	   818.2	-10463.5	   628.1
-     19.7398	   802.8	   818.9	-10491.7	   628.3
-     19.7897	   756.7	   819.6	-10538.5	   628.4
-     19.8397	   803.5	   820.3	-10492.5	   628.6
-     19.8895	   834.4	   821.1	-10462.3	   628.7
-     19.9395	   828.3	   821.9	-10469.2	   628.9
-     19.9896	   789.5	   822.8	-10508.9	   629.0
-     20.0395	   775.2	   823.7	-10524.1	   629.2
-     20.1057	   857.5	   825.0	-10443.1	   629.3
-     20.1558	   852.9	   826.0	-10448.7	   629.5
-     20.2059	   894.4	   827.1	-10408.3	   629.6
-     20.2560	   886.6	   828.3	-10417.3	   629.8
-     20.3059	   917.9	   829.5	-10387.3	   629.9
-     20.3559	   914.9	   830.9	-10391.7	   630.0
-     20.4059	   930.1	   832.3	-10377.9	   630.2
-     20.4560	  1064.4	   833.9	-10245.1	   630.3
-     20.5060	  1104.9	   835.6	-10206.3	   630.5
-     20.5559	  1063.1	   837.4	-10249.9	   630.6
-     20.6059	  1065.1	   839.3	-10249.9	   630.7
-     20.6560	  1081.9	   841.5	-10235.2	   630.9
-     20.7059	  1178.7	   843.8	-10140.8	   631.0
-     20.7559	  1179.9	   846.5	-10142.2	   631.1
-     20.8058	  1254.8	   849.5	-10070.3	   631.2
-     20.8557	  1263.0	   853.0	-10065.6	   631.4
-     20.9057	  1319.0	   857.3	-10013.9	   631.5
-     20.9556	  1470.8	   862.7	 -9867.5	   631.6
-     21.0057	  1491.3	   870.0	 -9854.3	   631.8
-     21.0556	  1629.3	   880.0	 -9726.3	   631.9
-     21.1056	  1747.8	   894.4	 -9622.2	   632.0
-     21.1553	  1803.7	   915.4	 -9587.4	   632.1
-     21.2054	  1937.3	   946.8	 -9485.1	   632.3
-     21.2555	  2071.2	   993.1	 -9397.5	   632.4
-     21.3054	  2025.9	  1060.6	 -9510.3	   632.5
-     21.3660	  2449.6	  1183.3	 -9209.3	   632.7
-     21.4161	  2599.3	  1330.7	 -9207.0	   632.8
-     21.4662	  2835.7	  1532.4	 -9172.3	   632.9
-     21.5163	  3003.9	  1801.4	 -9273.1	   633.0
-     21.5662	  3210.7	  2149.0	 -9413.9	   633.1
-     21.6162	  3368.5	  2586.1	 -9693.2	   633.3
-     21.6662	  3810.4	  3119.8	 -9785.0	   633.4
-     21.7163	  4183.1	  3748.8	-10041.3	   633.5
-     21.7663	  4466.3	  4464.9	-10474.2	   633.6
-     21.8162	  4630.9	  5246.9	-11091.6	   633.7
-     21.8662	  5279.8	  6072.3	-11268.1	   633.8
-     21.9163	  5829.3	  6901.6	-11548.0	   633.9
-     21.9661	  6574.4	  7685.8	-11587.0	   634.1
-     22.0162	  7110.5	  8380.7	-11745.9	   634.2
-     22.0661	  7852.3	  8934.3	-11557.6	   634.3
-     22.1160	  8051.9	  9304.0	-11727.8	   634.4
-     22.1660	  7989.2	  9458.9	-11945.4	   634.5
-     22.2159	  7959.6	  9385.1	-11901.2	   634.6
-     22.2660	  7849.4	  9088.4	-11714.7	   634.7
-     22.3159	  7410.7	  8595.5	-11660.4	   634.8
-     22.3659	  7183.3	  7946.1	-11238.5	   634.9
-     22.4156	  6768.7	  7190.6	-10897.5	   635.0
-     22.4657	  6175.8	  6370.9	-10670.7	   635.1
-     22.5158	  5645.1	  5539.2	-10369.7	   635.2
-     22.5657	  4898.1	  4738.5	-10316.0	   635.3
-     22.6120	  4225.8	  4048.7	-10298.6	   635.4
-     22.6621	  3632.1	  3380.0	-10223.5	   635.5
-     22.7121	  3039.3	  2805.0	-10241.3	   635.6
-     22.7622	  2751.9	  2326.4	-10050.2	   635.7
-     22.8122	  2331.3	  1942.0	-10086.3	   635.8
-     22.8622	  2049.0	  1641.4	-10068.1	   635.9
-     22.9122	  1742.1	  1412.9	-10146.4	   636.0
-     22.9623	  1451.9	  1244.1	-10267.8	   636.1
-     23.0123	  1216.3	  1122.7	-10382.0	   636.2
-     23.0622	  1052.2	  1037.5	-10460.9	   636.3
-     23.1122	   966.9	   978.5	-10487.3	   636.4
-     23.1623	   968.3	   938.4	-10445.7	   636.5
-     23.2121	   949.4	   911.5	-10437.7	   636.6
-     23.2621	   920.4	   893.3	-10448.5	   636.7
-     23.3121	   884.6	   880.9	-10472.0	   636.8
-     23.3620	   889.5	   873.3	-10459.5	   636.9
-     23.4120	   894.5	   867.1	-10448.2	   637.0
-     23.4619	   863.8	   862.3	-10474.2	   637.1
-     23.5119	   848.4	   858.6	-10485.8	   637.2
-     23.5619	   856.2	   855.5	-10474.9	   637.2
-     23.6119	   857.0	   852.9	-10471.5	   637.3
-     23.6616	   799.5	   850.6	-10526.6	   637.4
-     23.7117	   808.8	   848.5	-10515.4	   637.5
-     23.7618	   868.7	   846.7	-10453.6	   637.6
-     23.8117	   866.0	   845.0	-10454.6	   637.7
-     23.8614	   931.4	   843.5	-10387.7	   637.8
-     23.9115	   888.1	   842.1	-10429.6	   637.9
-     23.9615	   886.2	   840.8	-10430.2	   637.9
-     24.0116	   915.7	   839.6	-10399.5	   638.0
-     24.0616	   953.1	   838.6	-10361.1	   638.1
-     24.1115	   901.7	   837.6	-10411.5	   638.2
-     24.1616	   832.3	   836.7	-10480.0	   638.3
-     24.2117	   880.6	   835.8	-10430.8	   638.3
-     24.2617	   909.0	   835.0	-10401.6	   638.4
-     24.3116	   890.8	   834.3	-10419.1	   638.5
-     24.3616	   823.9	   833.7	-10485.4	   638.6
-     24.4116	   872.8	   833.0	-10435.8	   638.7
-     24.4615	   868.7	   832.5	-10439.4	   638.7
-     24.5115	   844.1	   831.9	-10463.4	   638.8
-     24.5615	   870.0	   831.4	-10437.1	   638.9
-     24.6114	   842.3	   831.0	-10464.3	   639.0
-     24.6614	   870.8	   830.5	-10435.3	   639.0
-     24.7113	   807.9	   830.1	-10497.9	   639.1
-     24.7613	   787.5	   829.8	-10517.9	   639.2
-     24.8113	   799.0	   829.4	-10506.0	   639.2
-     24.8612	   788.1	   829.1	-10516.7	   639.3
-     24.9110	   789.4	   828.8	-10515.0	   639.4
-     24.9611	   833.8	   828.5	-10470.4	   639.5
-     25.0112	   800.1	   828.3	-10503.8	   639.5
-     25.0611	   823.4	   828.0	-10480.2	   639.6
-     25.1154	   801.4	   827.8	-10502.0	   639.7
-     25.1656	   785.9	   827.6	-10517.3	   639.7
-     25.2156	   793.4	   827.4	-10509.6	   639.8
-     25.2657	   819.3	   827.2	-10483.4	   639.9
-     25.3157	   796.7	   827.0	-10505.9	   639.9
-     25.3657	   780.5	   826.8	-10522.0	   640.0
-     25.4157	   821.1	   826.7	-10481.2	   640.1
-     25.4657	   781.5	   826.6	-10520.7	   640.1
-     25.5158	   812.2	   826.4	-10489.9	   640.2
-     25.5656	   822.2	   826.3	-10479.7	   640.3
-     25.6157	   848.3	   826.2	-10453.5	   640.3
-     25.6657	   844.2	   826.1	-10457.6	   640.4
-     25.7156	   802.7	   826.0	-10498.9	   640.4
-     25.7656	   745.0	   825.9	-10556.6	   640.5
-     25.8156	   776.4	   825.9	-10525.1	   640.6
-     25.8655	   811.3	   825.8	-10490.1	   640.6
-     25.9154	   815.1	   825.7	-10486.3	   640.7
-     25.9654	   747.9	   825.7	-10553.4	   640.7
-     26.0154	   768.8	   825.6	-10532.4	   640.8
-     26.0654	   737.5	   825.6	-10563.7	   640.8
-     26.1153	   815.9	   825.5	-10485.3	   640.9
-     26.1651	   744.2	   825.5	-10556.9	   640.9
-     26.2152	   723.8	   825.5	-10577.3	   641.0
-     26.2653	   794.5	   825.5	-10506.6	   641.1
-     26.3152	   829.8	   825.4	-10471.3	   641.1
-     26.3776	   804.3	   825.4	-10496.8	   641.2
-     26.4277	   766.0	   825.4	-10535.0	   641.2
-     26.4778	   815.5	   825.4	-10485.5	   641.3
-     26.5279	   822.5	   825.4	-10478.5	   641.3
-     26.5778	   823.3	   825.4	-10477.7	   641.4
-     26.6278	   826.6	   825.4	-10474.5	   641.4
-     26.6779	   815.4	   825.4	-10485.7	   641.5
-     26.7279	   810.4	   825.5	-10490.7	   641.5
-     26.7779	   763.5	   825.5	-10537.6	   641.6
-     26.8278	   820.0	   825.5	-10481.1	   641.6
-     26.8778	   884.6	   825.5	-10416.5	   641.7
-     26.9279	   830.8	   825.6	-10470.4	   641.7
-     26.9778	   785.7	   825.6	-10515.5	   641.7
-     27.0278	   793.7	   825.6	-10507.6	   641.8
-     27.0777	   870.8	   825.7	-10430.5	   641.8
-     27.1277	   755.0	   825.7	-10546.4	   641.9
-     27.1776	   813.8	   825.8	-10487.6	   641.9
-     27.2275	   789.2	   825.8	-10512.3	   642.0
-     27.2776	   802.6	   825.9	-10498.9	   642.0
-     27.3275	   781.9	   826.0	-10519.7	   642.0
-     27.3775	   832.8	   826.0	-10468.8	   642.1
-     27.4273	   800.8	   826.1	-10500.9	   642.1
-     27.4773	   806.7	   826.2	-10495.1	   642.2
-     27.5274	   810.3	   826.2	-10491.6	   642.2
-     27.5773	   762.6	   826.3	-10539.3	   642.2
-     27.6334	   854.1	   826.4	-10448.0	   642.3
-     27.6835	   882.0	   826.5	-10420.1	   642.3
-     27.7336	   821.7	   826.6	-10480.6	   642.3
-     27.7837	   841.5	   826.7	-10460.9	   642.4
-     27.8336	   850.6	   826.8	-10451.8	   642.4
-     27.8836	   850.5	   826.9	-10452.1	   642.4
-     27.9336	   813.4	   827.0	-10489.2	   642.5
-     27.9837	   778.8	   827.2	-10524.0	   642.5
-     28.0337	   815.2	   827.3	-10487.7	   642.5
-     28.0836	   824.7	   827.4	-10478.4	   642.6
-     28.1336	   855.4	   827.6	-10447.8	   642.6
-     28.1837	   861.0	   827.7	-10442.3	   642.6
-     28.2336	   806.5	   827.9	-10497.0	   642.7
-     28.2836	   831.3	   828.0	-10472.3	   642.7
-     28.3335	   873.8	   828.2	-10430.0	   642.7
-     28.3835	   885.5	   828.4	-10418.5	   642.8
-     28.4334	   842.8	   828.6	-10461.4	   642.8
-     28.4833	   865.4	   828.8	-10439.0	   642.8
-     28.5334	   826.5	   829.0	-10478.1	   642.8
-     28.5833	   880.0	   829.2	-10424.8	   642.9
-     28.6333	   876.6	   829.4	-10428.5	   642.9
-     28.6831	   838.9	   829.6	-10466.4	   642.9
-     28.7331	   834.8	   829.9	-10470.7	   642.9
-     28.7832	   851.7	   830.1	-10454.1	   643.0
-     28.8331	   850.4	   830.4	-10455.6	   643.0
-     28.8657	   893.2	   830.6	-10413.0	   643.0
-     28.9158	   852.4	   830.9	-10454.1	   643.0
-     28.9659	   862.5	   831.2	-10444.3	   643.1
-     29.0160	   800.1	   831.6	-10507.1	   643.1
-     29.0660	   920.7	   831.9	-10386.8	   643.1
-     29.1159	   865.0	   832.3	-10442.9	   643.1
-     29.1660	   894.1	   832.7	-10414.2	   643.1
-     29.2160	   878.5	   833.1	-10430.2	   643.2
-     29.2661	   869.2	   833.5	-10439.9	   643.2
-     29.3159	   860.0	   834.0	-10449.6	   643.2
-     29.3659	   828.5	   834.5	-10481.6	   643.2
-     29.4160	   851.0	   835.0	-10459.6	   643.2
-     29.4659	   869.3	   835.6	-10441.9	   643.2
-     29.5159	   787.0	   836.2	-10524.8	   643.3
-     29.5659	   776.7	   836.8	-10535.7	   643.3
-     29.6158	   859.8	   837.5	-10453.4	   643.3
-     29.6657	   803.7	   838.2	-10510.1	   643.3
-     29.7157	   820.0	   839.0	-10494.6	   643.3
-     29.7657	   858.7	   839.8	-10456.8	   643.3
-     29.8157	   854.2	   840.7	-10462.2	   643.4
-     29.8656	   829.5	   841.7	-10487.8	   643.4
-     29.9154	   817.0	   842.7	-10501.3	   643.4
-     29.9655	   790.2	   843.9	-10529.3	   643.4
-     30.0155	   843.9	   845.1	-10476.8	   643.4
-     30.0654	   828.8	   846.4	-10493.2	   643.4
-     30.0985	   831.6	   847.4	-10491.4	   643.4
-     30.1486	   836.9	   848.9	-10487.6	   643.4
-     30.1987	   866.3	   850.6	-10459.9	   643.4
-     30.2488	   818.0	   852.5	-10510.1	   643.4
-     30.2988	   935.4	   854.5	-10394.8	   643.5
-     30.3487	   943.6	   856.8	-10388.8	   643.5
-     30.3988	   920.5	   859.4	-10414.4	   643.5
-     30.4488	   920.5	   862.3	-10417.5	   643.5
-     30.4989	   961.5	   865.9	-10380.0	   643.5
-     30.5487	   976.4	   870.3	-10369.5	   643.5
-     30.5987	  1099.5	   876.0	-10252.2	   643.5
-     30.6488	  1240.5	   883.9	-10119.0	   643.5
-     30.6987	  1248.8	   895.0	-10121.8	   643.5
-     30.7487	  1384.5	   911.5	-10002.6	   643.5
-     30.7987	  1469.5	   936.1	 -9942.2	   643.5
-     30.8486	  1591.5	   973.0	 -9857.1	   643.5
-     30.8985	  1583.0	  1027.9	 -9920.6	   643.5
-     30.9485	  1817.6	  1107.6	 -9765.7	   643.5
-     30.9985	  2031.1	  1224.0	 -9668.6	   643.5
-     31.0485	  2144.3	  1387.2	 -9718.5	   643.5
-     31.0984	  2381.8	  1611.2	 -9705.1	   643.5
-     31.1482	  2656.2	  1905.5	 -9725.0	   643.5
-     31.1983	  2855.6	  2286.1	 -9906.1	   643.5
-     31.2483	  3193.7	  2759.3	-10041.2	   643.5
-     31.2982	  3468.1	  3325.6	-10333.2	   643.5
-     31.3514	  3965.1	  4026.8	-10537.2	   643.5
-     31.4015	  4512.6	  4762.2	-10725.3	   643.5
-     31.4516	  5196.1	  5542.4	-10821.9	   643.5
-     31.5017	  5805.1	  6330.6	-11001.2	   643.5
-     31.5516	  6754.0	  7078.2	-10799.8	   643.5
-     31.6016	  7397.8	  7737.2	-10815.0	   643.5
-     31.6517	  7938.6	  8257.9	-10794.9	   643.5
-     31.7017	  8235.8	  8593.9	-10833.7	   643.5
-     31.7518	  8199.7	  8714.3	-10990.2	   643.5
-     31.8016	  8072.9	  8608.1	-11010.9	   643.5
-     31.8516	  7971.1	  8285.2	-10789.7	   643.5
-     31.9017	  7586.6	  7774.9	-10663.9	   643.5
-     31.9516	  7167.9	  7124.4	-10432.1	   643.5
-     32.0016	  6622.4	  6380.0	-10233.2	   643.5
-     32.0516	  6111.2	  5595.3	 -9959.7	   643.5
-     32.1015	  5203.6	  4815.6	-10087.6	   643.5
-     32.1514	  4630.5	  4078.6	 -9923.7	   643.5
-     32.2014	  3909.7	  3411.3	 -9977.2	   643.4
-     32.2514	  3211.4	  2830.8	-10095.1	   643.4
-     32.3014	  2914.6	  2345.5	 -9906.6	   643.4
-     32.3513	  2532.7	  1953.7	 -9896.6	   643.4
-     32.4011	  2106.1	  1648.3	-10017.8	   643.4
-     32.4512	  1721.9	  1415.5	-10169.3	   643.4
-     32.5012	  1428.0	  1244.7	-10292.3	   643.4
-     32.5511	  1154.0	  1122.9	-10444.6	   643.4
-     32.5963	  1076.4	  1044.8	-10444.0	   643.4
-     32.6464	   961.1	   984.4	-10498.9	   643.3
-     32.6965	   994.0	   943.8	-10425.4	   643.3
-     32.7466	   916.2	   916.8	-10476.2	   643.3
-     32.7965	   894.4	   898.8	-10480.1	   643.3
-     32.8465	   881.3	   886.7	-10481.0	   643.3
-     32.8966	   894.3	   878.2	-10459.5	   643.3
-     32.9466	   898.7	   872.1	-10449.0	   643.3
-     32.9967	   883.8	   867.4	-10459.2	   643.3
-     33.0465	   852.5	   863.7	-10486.9	   643.2
-     33.0965	   865.7	   860.7	-10470.6	   643.2
-     33.1466	   876.1	   858.0	-10457.6	   643.2
-     33.1965	   877.1	   855.7	-10454.2	   643.2
-     33.2465	   794.1	   853.6	-10535.1	   643.2
-     33.2965	   780.1	   851.7	-10547.3	   643.2
-     33.3464	   840.2	   850.0	-10485.5	   643.1
-     33.3963	   905.3	   848.5	-10418.8	   643.1
-     33.4463	   862.0	   847.1	-10460.6	   643.1
-     33.4963	   820.7	   845.8	-10500.7	   643.1
-     33.5463	   854.2	   844.6	-10466.0	   643.1
-     33.5962	   826.6	   843.5	-10492.4	   643.0
-     33.6460	   858.0	   842.4	-10460.1	   643.0
-     33.6961	   850.6	   841.5	-10466.5	   643.0
-     33.7461	   855.4	   840.6	-10460.9	   643.0
-     33.7960	   911.6	   839.8	-10403.8	   643.0
-     33.8374	   747.4	   839.2	-10567.4	   642.9
-     33.8875	   822.5	   838.5	-10491.6	   642.9
-     33.9376	   852.2	   837.8	-10461.2	   642.9
-     33.9877	   840.0	   837.2	-10472.8	   642.9
-     34.0376	   826.3	   836.6	-10486.0	   642.8
-     34.0876	   881.5	   836.1	-10430.2	   642.8
-     34.1377	   865.9	   835.6	-10445.4	   642.8
-     34.1877	   882.2	   835.1	-10428.6	   642.8
-     34.2377	   837.6	   834.7	-10472.8	   642.7
-     34.2876	   920.1	   834.3	-10389.8	   642.7
-     34.3376	   872.5	   833.9	-10437.1	   642.7
-     34.3877	   869.4	   833.6	-10439.8	   642.7
-     34.4376	   865.8	   833.2	-10443.1	   642.6
-     34.4876	   899.0	   832.9	-10409.6	   642.6
-     34.5376	   876.8	   832.6	-10431.5	   642.6
-     34.5875	   905.5	   832.4	-10402.5	   642.6
-     34.6374	   868.8	   832.1	-10439.0	   642.5
-     34.6874	   863.8	   831.9	-10443.7	   642.5
-     34.7374	   879.8	   831.7	-10427.5	   642.5
-     34.7873	   843.1	   831.5	-10464.0	   642.4
-     34.8373	   883.6	   831.3	-10423.4	   642.4
-     34.8871	   805.2	   831.1	-10501.6	   642.4
-     34.9371	   864.8	   831.0	-10441.8	   642.4
-     34.9872	   874.9	   830.8	-10431.5	   642.3
-     35.0371	   897.3	   830.7	-10409.0	   642.3
-     35.1059	   824.1	   830.5	-10482.1	   642.3
-     35.1561	   901.4	   830.4	-10404.7	   642.2
-     35.2061	   835.0	   830.3	-10471.0	   642.2
-     35.2562	   862.0	   830.3	-10443.8	   642.2
-     35.3062	   839.9	   830.2	-10465.9	   642.1
-     35.3561	   871.7	   830.1	-10434.0	   642.1
-     35.4062	   832.3	   830.1	-10473.4	   642.1
-     35.4562	   835.2	   830.0	-10470.5	   642.0
-     35.5063	   868.7	   830.0	-10436.9	   642.0
-     35.5561	   878.9	   830.0	-10426.7	   642.0
-     35.6062	   865.2	   830.0	-10440.5	   641.9
-     35.6562	   824.2	   830.0	-10481.5	   641.9
-     35.7061	   846.0	   830.0	-10459.6	   641.9
-     35.7561	   797.0	   830.1	-10508.7	   641.8
-     35.8061	   837.1	   830.1	-10468.7	   641.8
-     35.8560	   847.8	   830.2	-10458.1	   641.7
-     35.9059	   821.6	   830.2	-10484.2	   641.7
-     35.9559	   882.8	   830.3	-10423.2	   641.7
-     36.0059	   873.8	   830.4	-10432.2	   641.6
-     36.0559	   767.5	   830.5	-10538.6	   641.6
-     36.1058	   812.0	   830.7	-10494.3	   641.6
-     36.1556	   787.1	   830.8	-10519.3	   641.5
-     36.2057	   800.5	   830.9	-10506.1	   641.5
-     36.2558	   840.4	   831.1	-10466.4	   641.4
-     36.3056	   840.0	   831.3	-10466.9	   641.4
-     36.3796	   791.1	   831.6	-10516.1	   641.3
-     36.4297	   813.8	   831.8	-10493.6	   641.3
-     36.4798	   804.3	   832.1	-10503.4	   641.3
-     36.5299	   788.2	   832.3	-10519.7	   641.2
-     36.5799	   769.6	   832.6	-10538.6	   641.2
-     36.6298	   792.0	   833.0	-10516.6	   641.1
-     36.6799	   788.5	   833.3	-10520.4	   641.1
-     36.7299	   814.6	   833.7	-10494.7	   641.1
-     36.7800	   793.4	   834.1	-10516.3	   641.0
-     36.8298	   791.9	   834.5	-10518.2	   641.0
-     36.8798	   786.2	   835.0	-10524.4	   640.9
-     36.9299	   785.5	   835.5	-10525.6	   640.9
-     36.9798	   788.5	   836.0	-10523.2	   640.8
-     37.0298	   815.0	   836.6	-10497.2	   640.8
-     37.0798	   809.0	   837.3	-10503.9	   640.8
-     37.1297	   788.5	   837.9	-10525.1	   640.7
-     37.1796	   781.5	   838.7	-10532.8	   640.7
-     37.2296	   743.4	   839.5	-10571.7	   640.6
-     37.2796	   759.7	   840.4	-10556.3	   640.6
-     37.3296	   787.8	   841.3	-10529.2	   640.5
-     37.3795	   766.6	   842.3	-10551.4	   640.5
-     37.4293	   761.4	   843.4	-10557.7	   640.4
-     37.4794	   806.4	   844.7	-10513.9	   640.4
-     37.5294	   792.4	   846.0	-10529.2	   640.4
-     37.5793	   784.6	   847.4	-10538.4	   640.3
-     37.6200	   836.8	   848.7	-10487.5	   640.3
-     37.6701	   812.5	   850.4	-10513.6	   640.2
-     37.7202	   827.1	   852.3	-10500.8	   640.2
-     37.7703	   812.8	   854.4	-10517.2	   640.1
-     37.8203	   801.3	   857.7	-10532.0	   640.1
-     37.8702	   856.5	   860.3	-10479.3	   640.0
-     37.9203	   855.5	   863.2	-10483.3	   640.0
-     37.9703	   893.6	   866.5	-10448.6	   639.9
-     38.0204	   849.4	   870.4	-10496.7	   639.9
-     38.0702	   896.1	   875.2	-10454.8	   639.8
-     38.1202	   959.8	   881.4	-10397.2	   639.8
-     38.1703	   922.0	   889.7	-10443.3	   639.7
-     38.2202	  1028.3	   901.5	-10348.9	   639.7
-     38.2702	  1048.5	   918.9	-10346.0	   639.6
-     38.3202	  1110.2	   944.9	-10310.3	   639.6
-     38.3701	  1302.0	   984.5	-10158.0	   639.5
-     38.4200	  1382.7	  1044.1	-10137.1	   639.5
-     38.4700	  1524.6	  1133.0	-10084.1	   639.4
-     38.5200	  1656.4	  1263.0	-10082.3	   639.4
-     38.5700	  1802.6	  1447.7	-10120.8	   639.3
-     38.6199	  2165.3	  1702.8	-10013.2	   639.3
-     38.6697	  2524.4	  2043.4	 -9994.6	   639.2
-     38.7198	  2820.9	  2487.3	-10142.0	   639.2
-     38.7698	  3181.4	  3042.9	-10337.1	   639.1
-     38.8197	  3658.3	  3710.2	-10527.5	   639.1
-     38.8708	  4322.0	  4501.9	-10655.6	   639.0
-     38.9209	  5222.3	  5364.8	-10618.1	   639.0
-     38.9710	  5963.9	  6277.2	-10788.9	   638.9
-     39.0211	  7300.8	  7191.7	-10366.5	   638.8
-     39.0710	  8251.8	  8046.5	-10270.4	   638.8
-     39.1210	  9018.6	  8781.8	-10238.8	   638.7
-     39.1710	  9364.0	  9335.9	-10447.5	   638.7
-     39.2211	  9519.9	  9654.7	-10610.5	   638.6
-     39.2711	  9400.3	  9706.3	-10781.6	   638.6
-     39.3210	  9325.9	  9486.3	-10636.0	   638.5
-     39.3710	  8781.7	  9016.2	-10710.1	   638.5
-     39.4211	  8341.7	  8341.3	-10475.2	   638.4
-     39.4710	  7732.3	  7525.1	-10268.5	   638.3
-     39.5210	  6934.0	  6626.4	-10168.0	   638.3
-     39.5709	  5966.3	  5709.5	-10218.9	   638.2
-     39.6208	  5193.8	  4825.4	-10107.2	   638.2
-     39.6708	  4326.4	  4014.0	-10163.2	   638.1
-     39.7207	  3574.3	  3300.9	-10202.2	   638.1
-     39.7708	  3004.2	  2698.9	-10170.3	   638.0
-     39.8207	  2518.2	  2211.1	-10168.5	   637.9
-     39.8707	  2194.5	  1829.5	-10110.6	   637.9
-     39.9204	  1717.0	  1541.7	-10300.4	   637.8
-     39.9705	  1434.2	  1329.5	-10371.0	   637.8
-     40.0206	  1217.5	  1178.8	-10436.9	   637.7
-     40.0705	  1069.7	  1074.8	-10480.7	   637.7
-     40.1224	   949.6	  1002.1	-10528.1	   637.6
-     40.1725	   986.3	   955.8	-10445.1	   637.5
-     40.2225	   924.2	   924.2	-10475.7	   637.5
-     40.2727	   849.4	   904.0	-10530.2	   637.4
-     40.3226	   888.0	   890.5	-10478.0	   637.3
-     40.3726	   863.0	   881.0	-10493.6	   637.3
-     40.4226	   805.3	   874.1	-10544.4	   637.2
-     40.4727	   847.3	   868.8	-10497.1	   637.2
-     40.5227	   863.5	   864.5	-10476.6	   637.1
-     40.5726	   837.4	   860.9	-10499.1	   637.0
-     40.6226	   835.3	   857.7	-10498.1	   637.0
-     40.6727	   802.5	   855.0	-10528.1	   636.9
-     40.7225	   885.7	   852.5	-10442.5	   636.9
-     40.7726	   838.0	   850.3	-10487.8	   636.8
-     40.8225	   842.8	   848.2	-10481.1	   636.7
-     40.8724	   841.5	   846.4	-10480.5	   636.7
-     40.9224	   830.5	   844.7	-10489.9	   636.6
-     40.9723	   876.3	   843.1	-10442.5	   636.5
-     41.0224	   835.0	   841.7	-10482.4	   636.5
-     41.0723	   822.9	   840.4	-10493.2	   636.4
-     41.1223	   832.0	   839.2	-10482.8	   636.4
-     41.1720	   852.6	   838.1	-10461.1	   636.3
-     41.2221	   845.4	   837.0	-10467.3	   636.2
-     41.2722	   830.0	   836.0	-10481.7	   636.2
-     41.3221	   823.9	   835.2	-10486.8	   636.1
-     41.3643	   785.0	   834.4	-10525.1	   636.0
-     41.4144	   805.9	   833.7	-10503.4	   636.0
-     41.4645	   741.8	   832.9	-10566.8	   635.9
-     41.5146	   801.2	   832.3	-10506.6	   635.9
-     41.5645	   793.9	   831.6	-10513.4	   635.8
-     41.6145	   758.9	   831.0	-10547.7	   635.7
-     41.6646	   817.3	   830.5	-10488.8	   635.7
-     41.7146	   814.0	   830.0	-10491.6	   635.6
-     41.7646	   776.1	   829.5	-10529.0	   635.5
-     41.8145	   754.8	   829.1	-10549.9	   635.5
-     41.8645	   767.8	   828.7	-10536.5	   635.4
-     41.9146	   812.2	   828.3	-10491.7	   635.3
-     41.9645	   797.0	   827.9	-10506.5	   635.3
-     42.0145	   807.9	   827.6	-10495.3	   635.2
-     42.0645	   800.2	   827.3	-10502.7	   635.1
-     42.1144	   768.4	   827.0	-10534.3	   635.1
-     42.1643	   807.2	   826.7	-10495.2	   635.0
-     42.2143	   818.8	   826.5	-10483.4	   634.9
-     42.2643	   840.4	   826.3	-10461.5	   634.9
-     42.3143	   840.4	   826.1	-10461.4	   634.8
-     42.3642	   837.2	   825.9	-10464.4	   634.7
-     42.4140	   814.5	   825.8	-10486.9	   634.7
-     42.4641	   867.2	   825.6	-10434.1	   634.6
-     42.5141	   828.4	   825.5	-10472.8	   634.5
-     42.5640	   820.4	   825.4	-10480.7	   634.5
-     42.6141	   857.7	   825.4	-10443.3	   634.4
-     42.6642	   839.1	   825.3	-10461.9	   634.3
-     42.7143	   845.5	   825.3	-10455.4	   634.2
-     42.7644	   821.9	   825.2	-10479.0	   634.2
-     42.8143	   833.0	   825.2	-10467.8	   634.1
-     42.8643	   893.4	   825.3	-10407.5	   634.0
-     42.9144	   834.1	   825.3	-10466.9	   634.0
-     42.9644	   829.0	   825.4	-10472.0	   633.9
-     43.0144	   795.3	   825.5	-10505.8	   633.8
-     43.0643	   772.2	   825.6	-10529.0	   633.8
-     43.1143	   772.0	   825.7	-10529.3	   633.7
-     43.1644	   760.9	   825.9	-10540.6	   633.6
-     43.2143	   766.2	   826.1	-10535.5	   633.6
-     43.2643	   792.8	   826.3	-10509.0	   633.5
-     43.3143	   760.2	   826.5	-10542.0	   633.4
-     43.3642	   741.4	   826.8	-10561.0	   633.3
-     43.4141	   830.1	   827.1	-10472.7	   633.3
-     43.4641	   741.6	   827.4	-10561.5	   633.2
-     43.5141	   750.0	   827.8	-10553.5	   633.1
-     43.5641	   773.8	   828.3	-10530.1	   633.1
-     43.6140	   827.7	   828.7	-10476.6	   633.0
-     43.6638	   820.8	   829.3	-10484.1	   632.9
-     43.7138	   810.0	   829.8	-10495.5	   632.8
-     43.7639	   780.2	   830.5	-10525.9	   632.8
-     43.8138	   795.3	   831.2	-10511.4	   632.7
-     43.8649	   780.9	   832.5	-10527.3	   632.6
-     43.9151	   827.4	   833.4	-10481.6	   632.6
-     43.9651	   803.5	   834.3	-10506.5	   632.5
-     44.0152	   822.2	   835.4	-10488.9	   632.4
-     44.0652	   865.8	   836.5	-10446.4	   632.3
-     44.1152	   840.8	   837.8	-10472.6	   632.3
-     44.1652	   771.5	   839.2	-10543.3	   632.2
-     44.2152	   871.8	   840.7	-10444.5	   632.1
-     44.2653	   828.1	   842.4	-10490.0	   632.0
-     44.3151	   880.8	   844.3	-10439.2	   632.0
-     44.3652	   878.0	   846.5	-10444.0	   631.9
-     44.4152	   880.8	   848.9	-10443.7	   631.8
-     44.4651	   810.6	   851.7	-10516.7	   631.7
-     44.5151	   808.5	   855.0	-10522.1	   631.7
-     44.5651	   880.6	   859.0	-10454.1	   631.6
-     44.6150	   841.7	   864.3	-10498.2	   631.5
-     44.6650	   907.0	   871.3	-10440.0	   631.5
-     44.7149	   950.1	   881.4	-10407.0	   631.4
-     44.7649	   919.8	   896.5	-10452.4	   631.3
-     44.8149	   986.8	   919.3	-10408.1	   631.2
-     44.8648	  1113.7	   954.3	-10316.2	   631.2
-     44.9146	  1132.0	  1007.3	-10351.0	   631.1
-     44.9647	  1237.3	  1087.3	-10325.7	   631.0
-     45.0148	  1340.0	  1204.7	-10340.3	   630.9
-     45.0647	  1587.7	  1371.6	-10259.6	   630.9
-     45.1092	  1811.5	  1574.4	-10238.5	   630.8
-     45.1594	  1979.8	  1875.3	-10371.1	   630.7
-     45.2094	  2355.4	  2265.1	-10385.2	   630.6
-     45.2595	  2781.6	  2751.6	-10445.6	   630.6
-     45.3095	  3279.8	  3332.8	-10528.6	   630.5
-     45.3594	  3885.0	  3999.6	-10590.2	   630.4
-     45.4095	  4479.7	  4731.3	-10727.3	   630.3
-     45.4595	  5330.9	  5491.4	-10636.1	   630.3
-     45.5096	  6337.1	  6234.2	-10372.7	   630.2
-     45.5594	  6988.9	  6903.7	-10390.4	   630.1
-     45.6095	  7320.0	  7448.4	-10604.0	   630.0
-     45.6595	  7422.4	  7814.6	-10867.8	   630.0
-     45.7094	  7447.9	  7962.6	-10990.3	   629.9
-     45.7594	  7148.4	  7877.6	-11204.8	   629.8
-     45.8094	  6889.8	  7568.6	-11154.5	   629.7
-     45.8593	  6529.1	  7069.2	-11015.7	   629.7
-     45.9092	  5983.7	  6428.2	-10920.1	   629.6
-     45.9592	  5578.9	  5700.6	-10597.3	   629.5
-     46.0092	  4638.5	  4940.1	-10777.2	   629.4
-     46.0592	  3945.7	  4197.5	-10727.5	   629.3
-     46.1091	  3173.1	  3510.4	-10812.9	   629.3
-     46.1589	  2703.1	  2905.6	-10678.2	   629.2
-     46.2090	  2308.1	  2391.4	-10558.9	   629.1
-     46.2590	  1960.6	  1974.6	-10489.6	   629.0
-     46.3089	  1737.7	  1650.4	-10388.3	   629.0
-     46.3597	  1386.0	  1402.6	-10492.2	   628.9
-     46.4098	  1236.8	  1225.4	-10464.2	   628.8
-     46.4599	   966.7	  1100.7	-10609.6	   628.7
-     46.5100	   914.8	  1015.2	-10576.0	   628.7
-     46.5600	   874.1	   958.2	-10559.8	   628.6
-     46.6099	   813.0	   920.7	-10583.3	   628.5
-     46.6600	   865.2	   896.1	-10506.4	   628.4
-     46.7100	   890.7	   879.9	-10464.8	   628.3
-     46.7601	   856.1	   868.9	-10488.4	   628.3
-     46.8099	   844.9	   861.3	-10492.1	   628.2
-     46.8600	   789.1	   855.7	-10542.2	   628.1
-     46.9100	   794.1	   851.3	-10532.8	   628.0
-     46.9599	   801.6	   847.7	-10521.7	   628.0
-     47.0099	   773.5	   844.7	-10546.8	   627.9
-     47.0599	   808.6	   842.0	-10509.1	   627.8
-     47.1098	   775.5	   839.7	-10539.8	   627.7
-     47.1597	   732.9	   837.6	-10580.2	   627.6
-     47.2097	   790.6	   835.6	-10520.6	   627.6
-     47.2597	   756.8	   833.9	-10552.7	   627.5
-     47.3097	   779.7	   832.3	-10528.3	   627.4
-     47.3596	   775.1	   830.8	-10531.4	   627.3
-     47.4094	   759.6	   829.5	-10545.6	   627.3
-     47.4595	   761.0	   827.1	-10541.7	   627.2
-     47.5095	   771.3	   825.9	-10530.2	   627.1
-     47.5594	   749.8	   824.9	-10550.8	   627.0
-     47.6272	   748.9	   823.6	-10550.3	   626.9
-     47.6773	   761.8	   822.8	-10536.6	   626.8
-     47.7274	   721.8	   822.0	-10575.7	   626.8
-     47.7775	   770.7	   821.2	-10526.1	   626.7
-     47.8275	   747.7	   820.5	-10548.5	   626.6
-     47.8774	   770.3	   819.9	-10525.2	   626.5
-     47.9275	   747.0	   819.3	-10547.9	   626.4
-     47.9775	   692.6	   818.7	-10601.7	   626.4
-     48.0276	   753.3	   818.2	-10540.5	   626.3
-     48.0774	   700.6	   817.7	-10592.7	   626.2
-     48.1274	   772.8	   817.3	-10520.0	   626.1
-     48.1775	   793.8	   816.8	-10498.7	   626.0
-     48.2274	   732.5	   816.4	-10559.6	   626.0
-     48.2774	   742.9	   816.1	-10548.8	   625.9
-     48.3274	   815.4	   815.7	-10476.0	   625.8
-     48.3773	   746.3	   815.4	-10544.7	   625.7
-     48.4272	   775.3	   815.1	-10515.4	   625.6
-     48.4772	   786.7	   814.9	-10503.8	   625.6
-     48.5272	   755.5	   814.6	-10534.7	   625.5
-     48.5772	   767.0	   814.4	-10523.0	   625.4
-     48.6271	   782.0	   814.2	-10507.8	   625.3
-     48.6769	   747.7	   814.0	-10542.0	   625.2
-     48.7270	   699.9	   813.8	-10589.6	   625.2
-     48.7770	   775.6	   813.7	-10513.7	   625.1
-     48.8269	   763.7	   813.6	-10525.5	   625.0
-     48.8705	   795.7	   813.5	-10493.4	   624.9
-     48.9206	   785.3	   813.4	-10503.7	   624.9
-     48.9707	   752.3	   813.3	-10536.6	   624.8
-     49.0208	   768.5	   813.2	-10520.4	   624.7
-     49.0708	   775.6	   813.2	-10513.3	   624.6
-     49.1207	   766.0	   813.2	-10522.8	   624.5
-     49.1708	   723.5	   813.2	-10565.4	   624.5
-     49.2208	   787.2	   813.3	-10501.6	   624.4
-     49.2709	   758.6	   813.3	-10530.4	   624.3
-     49.3207	   788.8	   813.4	-10500.2	   624.2
-     49.3707	   823.3	   813.5	-10465.8	   624.1
-     49.4208	   859.1	   813.6	-10430.1	   624.1
-     49.4707	   774.3	   814.5	-10515.9	   624.0
-     49.5207	   791.4	   814.7	-10499.0	   623.9
-     49.5707	   817.9	   814.9	-10472.7	   623.8
-     49.6206	   856.1	   815.2	-10434.8	   623.7
-     49.6705	   806.5	   815.5	-10484.7	   623.7
-     49.7205	   808.3	   815.9	-10483.3	   623.6
-     49.7705	   792.1	   816.3	-10499.8	   623.5
-     49.8205	   800.5	   816.8	-10491.9	   623.4
-     49.8704	   832.5	   817.3	-10460.4	   623.3
-     49.9202	   814.2	   817.9	-10479.3	   623.3
-     49.9703	   767.8	   818.5	-10526.4	   623.2
-     50.0203	   792.6	   819.3	-10502.3	   623.1
-     50.0702	   819.7	   820.1	-10476.1	   623.0
-     50.1007	   812.8	   820.7	-10483.5	   623.0
-     50.1508	   793.5	   821.7	-10503.8	   622.9
-     50.2008	   763.7	   822.8	-10534.8	   622.8
-     50.2509	   763.4	   824.1	-10536.3	   622.7
-     50.3009	   809.0	   825.6	-10492.2	   622.7
-     50.3509	   799.6	   827.4	-10503.3	   622.6
-     50.4009	   824.6	   829.5	-10480.6	   622.5
-     50.4510	   832.4	   832.3	-10475.5	   622.4
-     50.5010	   792.2	   836.0	-10519.4	   622.3
-     50.5509	   830.3	   841.2	-10486.5	   622.3
-     50.6009	   885.2	   849.0	-10439.4	   622.2
-     50.6510	   853.5	   860.9	-10482.9	   622.1
-     50.7008	   903.7	   879.2	-10451.1	   622.0
-     50.7509	   886.8	   907.5	-10496.3	   621.9
-     50.8008	   992.5	   950.5	-10433.7	   621.9
-     50.8507	  1108.2	  1014.3	-10381.7	   621.8
-     50.9007	  1173.7	  1106.3	-10408.2	   621.7
-     50.9506	  1332.6	  1235.0	-10378.0	   621.6
-     51.0006	  1431.8	  1408.8	-10452.7	   621.5
-     51.0506	  1682.2	  1634.5	-10427.9	   621.5
-     51.1006	  1961.8	  1915.8	-10429.6	   621.4
-     51.1503	  2234.8	  2250.9	-10491.7	   621.3
-     51.2004	  2696.5	  2635.8	-10414.9	   621.2
-     51.2505	  3249.4	  3053.6	-10279.9	   621.1
-     51.3004	  3732.2	  3480.6	-10224.0	   621.1
-     51.3664	  4412.9	  4012.8	-10075.6	   621.0
-     51.4165	  4662.9	  4348.9	-10161.6	   620.9
-     51.4666	  4565.9	  4590.2	-10499.9	   620.8
-     51.5167	  4769.5	  4710.7	-10416.8	   620.7
-     51.5666	  4540.7	  4696.2	-10631.1	   620.6
-     51.6166	  4488.0	  4549.0	-10536.7	   620.6
-     51.6667	  4192.8	  4285.5	-10568.3	   620.5
-     51.7167	  3766.4	  3934.2	-10643.4	   620.4
-     51.7668	  3434.0	  3527.9	-10569.5	   620.3
-     51.8166	  3031.9	  3101.6	-10545.3	   620.2
-     51.8666	  2652.4	  2681.5	-10504.7	   620.2
-     51.9167	  2224.4	  2291.7	-10542.9	   620.1
-     51.9666	  1877.5	  1949.8	-10547.9	   620.0
-     52.0166	  1634.7	  1661.4	-10502.3	   619.9
-     52.0666	  1399.8	  1429.6	-10505.4	   619.8
-     52.1165	  1284.0	  1250.3	-10441.9	   619.8
-     52.1664	  1150.8	  1116.8	-10441.7	   619.7
-     52.2164	   943.3	  1020.8	-10553.1	   619.6
-     52.2664	   942.0	   953.9	-10487.5	   619.5
-     52.3164	   875.5	   908.7	-10508.9	   619.5
-     52.3663	   881.4	   878.9	-10473.1	   619.4
-     52.4161	   817.3	   859.5	-10517.8	   619.3
-     52.4662	   841.4	   846.8	-10481.0	   619.2
-     52.5162	   769.9	   838.5	-10544.2	   619.1
-     52.5661	   774.6	   832.8	-10533.9	   619.1
-     52.6369	   787.2	   827.5	-10515.9	   618.9
-     52.6870	   838.9	   824.8	-10461.5	   618.9
-     52.7371	   798.0	   822.6	-10500.2	   618.8
-     52.7872	   753.8	   820.7	-10542.6	   618.7
-     52.8371	   818.9	   819.1	-10475.9	   618.6
-     52.8871	   783.5	   817.7	-10509.8	   618.6
-     52.9372	   803.3	   816.4	-10488.7	   618.5
-     52.9872	   747.5	   815.3	-10543.4	   618.4
-     53.0372	   770.3	   814.2	-10519.6	   618.3
-     53.0871	   744.5	   813.3	-10544.4	   618.2
-     53.1371	   781.4	   812.4	-10506.7	   618.2
-     53.1872	   786.0	   811.7	-10501.3	   618.1
-     53.2371	   816.1	   810.9	-10470.5	   618.0
-     53.2871	   778.6	   810.3	-10507.3	   617.9
-     53.3371	   787.1	   809.7	-10498.2	   617.9
-     53.3870	   760.1	   809.1	-10524.7	   617.8
-     53.4369	   810.5	   808.6	-10473.7	   617.7
-     53.4869	   805.1	   808.1	-10478.7	   617.6
-     53.5369	   771.6	   807.7	-10511.7	   617.5
-     53.5869	   803.3	   807.3	-10479.6	   617.5
-     53.6368	   757.6	   805.9	-10523.9	   617.4
-     53.6866	   776.0	   805.6	-10505.3	   617.3
-     53.7366	   747.8	   805.3	-10533.2	   617.2
-     53.7867	   779.0	   805.0	-10501.7	   617.2
-     53.8366	   745.6	   804.8	-10534.8	   617.1
-     53.8700	   738.2	   804.6	-10542.1	   617.0
-     53.9201	   792.7	   804.4	-10487.4	   616.9
-     53.9702	   723.0	   804.3	-10556.8	   616.9
-     54.0203	   776.2	   804.1	-10503.5	   616.8
-     54.0702	   816.7	   804.0	-10462.9	   616.7
-     54.1202	   769.8	   803.8	-10509.7	   616.6
-     54.1703	   720.6	   803.8	-10558.8	   616.6
-     54.2203	   741.1	   803.7	-10538.2	   616.5
-     54.2703	   780.6	   803.6	-10498.6	   616.4
-     54.3202	   768.6	   803.6	-10510.6	   616.3
-     54.3702	   763.7	   803.6	-10515.5	   616.3
-     54.4203	   800.4	   803.6	-10478.8	   616.2
-     54.4702	   749.0	   803.6	-10530.2	   616.1
-     54.5202	   736.9	   803.7	-10542.4	   616.0
-     54.5701	   795.9	   803.7	-10483.5	   616.0
-     54.6201	   791.8	   803.8	-10487.7	   615.9
-     54.6700	   736.8	   804.0	-10542.7	   615.8
-     54.7200	   760.7	   804.1	-10519.0	   615.7
-     54.7700	   807.8	   804.3	-10472.1	   615.6
-     54.8200	   788.5	   804.5	-10491.6	   615.6
-     54.8699	   797.3	   804.7	-10483.1	   615.5
-     54.9197	   727.0	   805.0	-10553.6	   615.4
-     54.9697	   816.8	   805.3	-10464.1	   615.3
-     55.0198	   795.3	   805.7	-10485.9	   615.3
-     55.0697	   785.0	   806.0	-10496.7	   615.2
-     55.1022	   739.6	   806.3	-10542.4	   615.1
-     55.1523	   806.6	   806.8	-10475.8	   615.1
-     55.2024	   819.2	   807.3	-10463.7	   615.0
-     55.2525	   804.8	   807.9	-10478.8	   614.9
-     55.3024	   802.1	   808.6	-10482.1	   614.8
-     55.3524	   802.6	   809.3	-10482.4	   614.8
-     55.4025	   827.6	   810.2	-10458.2	   614.7
-     55.4525	   875.8	   811.1	-10410.9	   614.6
-     55.5025	   832.9	   812.1	-10454.8	   614.5
-     55.5524	   843.8	   813.3	-10445.1	   614.5
-     55.6024	   914.8	   814.6	-10375.4	   614.4
-     55.6525	   885.5	   816.1	-10406.2	   614.3
-     55.7024	   911.1	   817.8	-10382.2	   614.2
-     55.7524	   887.4	   819.7	-10407.9	   614.2
-     55.8023	   928.2	   822.1	-10369.6	   614.1
-     55.8523	   892.9	   825.1	-10407.9	   614.0
-     55.9022	   913.1	   829.0	-10391.6	   613.9
-     55.9521	   920.4	   834.6	-10389.8	   613.9
-     56.0022	   912.5	   842.7	-10405.9	   613.8
-     56.0521	   956.9	   855.1	-10373.8	   613.7
-     56.1021	   978.6	   874.4	-10371.4	   613.7
-     56.1519	  1001.4	   904.3	-10378.5	   613.6
-     56.2019	  1042.5	   950.5	-10383.6	   613.5
-     56.2520	  1154.2	  1019.9	-10341.3	   613.4
-     56.3019	  1201.7	  1121.0	-10394.9	   613.4
-     56.3584	  1344.4	  1286.1	-10417.3	   613.3
-     56.4085	  1445.8	  1488.4	-10518.2	   613.2
-     56.4586	  1758.9	  1751.5	-10468.2	   613.1
-     56.5087	  2118.1	  2079.6	-10437.1	   613.1
-     56.5586	  2532.5	  2468.9	-10412.0	   613.0
-     56.6086	  3056.5	  2909.9	-10329.0	   612.9
-     56.6586	  3709.0	  3383.6	-10150.3	   612.8
-     56.7087	  4176.5	  3860.4	-10159.5	   612.8
-     56.7587	  4824.0	  4304.5	 -9956.1	   612.7
-     56.8086	  5019.7	  4674.8	-10130.8	   612.6
-     56.8586	  5128.9	  4935.8	-10282.5	   612.6
-     56.9087	  4974.4	  5055.7	-10556.9	   612.5
-     56.9586	  4834.5	  5019.4	-10660.5	   612.4
-     57.0086	  4702.0	  4831.7	-10605.4	   612.3
-     57.0585	  4410.8	  4515.8	-10580.7	   612.3
-     57.1085	  4138.6	  4106.6	-10443.6	   612.2
-     57.1584	  3625.6	  3643.7	-10493.8	   612.1
-     57.2083	  3150.0	  3165.0	-10490.6	   612.1
-     57.2584	  2559.9	  2702.7	-10618.4	   612.0
-     57.3083	  2164.5	  2283.0	-10594.2	   611.9
-     57.3583	  1948.0	  1921.1	-10448.8	   611.8
-     57.4081	  1599.9	  1624.2	-10499.9	   611.8
-     57.4581	  1355.8	  1388.8	-10508.6	   611.7
-     57.5082	  1243.8	  1211.2	-10443.1	   611.6
-     57.5581	  1109.6	  1082.6	-10448.7	   611.6
-     57.6197	   960.4	   975.8	-10491.0	   611.5
-     57.6698	   848.3	   919.9	-10547.2	   611.4
-     57.7198	   804.7	   883.1	-10554.0	   611.3
-     57.7700	   829.4	   859.4	-10505.6	   611.3
-     57.8199	   778.3	   844.1	-10541.4	   611.2
-     57.8699	   800.5	   834.1	-10509.3	   611.1
-     57.9199	   812.0	   827.4	-10491.1	   611.1
-     57.9700	   766.1	   822.7	-10532.2	   611.0
-     58.0200	   790.3	   819.1	-10504.5	   610.9
-     58.0699	   780.8	   816.3	-10511.2	   610.8
-     58.1199	   803.8	   814.0	-10485.8	   610.8
-     58.1700	   776.2	   811.9	-10511.4	   610.7
-     58.2198	   789.7	   810.2	-10496.1	   610.6
-     58.2699	   796.2	   808.6	-10488.0	   610.6
-     58.3198	   825.4	   807.2	-10457.4	   610.5
-     58.3698	   826.0	   805.9	-10455.5	   610.4
-     58.4197	   796.6	   804.7	-10483.7	   610.4
-     58.4696	   834.9	   803.6	-10444.3	   610.3
-     58.5197	   792.8	   802.6	-10485.4	   610.2
-     58.5696	   853.0	   801.7	-10424.3	   610.2
-     58.6196	   825.4	   800.9	-10451.0	   610.1
-     58.6693	   817.4	   800.1	-10458.3	   610.0
-     58.7194	   796.9	   799.3	-10478.0	   610.0
-     58.7695	   826.6	   798.7	-10447.7	   609.9
-     58.8194	   820.0	   798.0	-10453.7	   609.8
-     58.8682	   783.3	   797.5	-10489.8	   609.8
-     58.9183	   778.0	   796.9	-10494.5	   609.7
-     58.9684	   800.0	   796.4	-10472.0	   609.6
-     59.0185	   843.6	   795.9	-10427.9	   609.6
-     59.0685	   807.4	   795.4	-10463.6	   609.5
-     59.1184	   826.6	   795.0	-10444.0	   609.4
-     59.1685	   780.5	   794.6	-10489.7	   609.4
-     59.2185	   816.6	   794.2	-10453.2	   609.3
-     59.2686	   816.5	   793.2	-10452.3	   609.2
-     59.3184	   785.7	   792.9	-10482.8	   609.2
-     59.3684	   745.5	   792.6	-10522.7	   609.1
-     59.4185	   839.2	   792.3	-10428.7	   609.0
-     59.4684	   799.2	   792.0	-10468.3	   609.0
-     59.5184	   766.5	   791.7	-10500.8	   608.9
-     59.5684	   810.5	   791.4	-10456.5	   608.8
-     59.6183	   825.3	   791.1	-10441.5	   608.8
-     59.6682	   788.9	   790.9	-10477.6	   608.7
-     59.7182	   765.0	   790.7	-10501.3	   608.6
-     59.7682	   796.1	   790.4	-10469.9	   608.6
-     59.8182	   759.7	   790.2	-10506.1	   608.5
-     59.8681	   797.8	   790.0	-10467.9	   608.5
-     59.9179	   788.3	   789.8	-10477.1	   608.4
-     59.9680	   771.6	   789.6	-10493.6	   608.3
-     60.0180	   786.1	   789.4	-10478.9	   608.3
-     60.0679	   808.3	   789.2	-10456.6	   608.2
-     60.1082	   764.4	   789.1	-10500.3	   608.1
-     60.1583	   793.9	   788.9	-10470.6	   608.1
-     60.2083	   763.6	   788.7	-10500.7	   608.0
-     60.2584	   786.4	   788.5	-10477.7	   608.0
-     60.3084	   793.5	   788.4	-10470.5	   607.9
-     60.3584	   825.1	   788.2	-10438.8	   607.8
-     60.4084	   754.9	   788.1	-10508.8	   607.8
-     60.4585	   762.1	   787.9	-10501.5	   607.7
-     60.5085	   835.4	   787.8	-10428.0	   607.6
-     60.5584	   757.6	   787.6	-10505.7	   607.6
-     60.6084	   785.0	   787.5	-10478.2	   607.5
-     60.6585	   763.7	   787.4	-10499.2	   607.5
-     60.7083	   774.9	   787.2	-10487.9	   607.4
-     60.7584	   725.3	   787.1	-10537.4	   607.3
-     60.8083	   801.5	   787.0	-10461.1	   607.3
-     60.8582	   806.4	   786.8	-10456.1	   607.2
-     60.9082	   787.3	   786.7	-10475.0	   607.2
-     60.9581	   792.6	   786.6	-10469.6	   607.1
-     61.0081	   789.5	   786.5	-10472.6	   607.0
-     61.0581	   810.7	   786.4	-10451.3	   607.0
-     61.1081	   746.5	   786.3	-10515.4	   606.9
-     61.1578	   818.6	   786.1	-10443.1	   606.9
-     61.2079	   771.2	   786.0	-10490.4	   606.8
-     61.2580	   709.3	   785.9	-10552.2	   606.7
-     61.3079	   797.4	   785.8	-10464.0	   606.7
-     61.3477	   806.8	   785.7	-10454.6	   606.6
-     61.3978	   817.2	   785.6	-10444.0	   606.6
-     61.4478	   783.8	   785.5	-10477.3	   606.5
-     61.4979	   784.7	   785.4	-10476.4	   606.5
-     61.5479	   794.2	   785.3	-10466.8	   606.4
-     61.5979	   842.8	   785.2	-10418.1	   606.3
-     61.6479	   815.9	   785.2	-10444.9	   606.3
-     61.6980	   765.0	   785.1	-10495.7	   606.2
-     61.7480	   823.0	   785.0	-10437.6	   606.2
-     61.7979	   825.3	   784.9	-10435.2	   606.1
-     61.8479	   792.1	   784.8	-10468.3	   606.1
-     61.8979	   790.5	   784.7	-10469.8	   606.0
-     61.9478	   792.2	   784.6	-10468.0	   605.9
-     61.9978	   828.4	   784.5	-10431.7	   605.9
-     62.0478	   858.7	   784.4	-10401.4	   605.8
-     62.0977	   784.2	   784.4	-10475.7	   605.8
-     62.1477	   792.1	   784.3	-10467.8	   605.7
-     62.1976	   817.6	   784.2	-10442.2	   605.7
-     62.2477	   837.0	   784.1	-10422.7	   605.6
-     62.2976	   793.7	   784.0	-10465.9	   605.5
-     62.3475	   805.3	   783.9	-10454.2	   605.5
-     62.3973	   772.8	   783.9	-10486.7	   605.4
-     62.4474	   816.0	   783.8	-10443.5	   605.4
-     62.4975	   841.8	   783.7	-10417.5	   605.3
-     62.5474	   740.9	   783.6	-10518.3	   605.3
-     62.5896	   747.0	   783.6	-10512.2	   605.2
-     62.6397	   775.6	   783.5	-10483.5	   605.2
-     62.6897	   804.5	   783.4	-10454.6	   605.1
-     62.7398	   791.6	   783.3	-10467.4	   605.1
-     62.7898	   830.5	   783.3	-10428.4	   605.0
-     62.8397	   810.8	   783.2	-10448.0	   604.9
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-     62.9899	   941.4	   783.0	-10317.2	   604.8
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-     63.1398	   865.1	   782.8	-10393.3	   604.6
-     63.1897	   855.0	   782.7	-10403.4	   604.6
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-     63.2897	   945.3	   782.6	-10312.9	   604.5
-     63.3396	   906.8	   782.5	-10351.4	   604.4
-     63.3895	   952.5	   782.4	-10305.6	   604.4
-     63.4395	   890.8	   782.4	-10367.2	   604.3
-     63.4895	   916.4	   782.3	-10341.5	   604.3
-     63.5395	   898.2	   782.2	-10359.7	   604.2
-     63.5895	   947.3	   782.2	-10310.5	   604.2
-     63.6392	   969.8	   782.1	-10287.9	   604.1
-     63.6893	   844.9	   782.1	-10412.8	   604.1
-     63.7394	   857.3	   782.0	-10400.3	   604.0
-     63.7893	   854.6	   781.9	-10402.9	   604.0
-     63.8293	   880.2	   781.9	-10377.3	   603.9
-     63.8794	   869.2	   781.8	-10388.2	   603.9
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-     63.9796	   801.1	   781.7	-10456.2	   603.8
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-     64.2795	   774.8	   781.3	-10482.2	   603.5
-     64.3295	   749.9	   781.3	-10507.1	   603.4
-     64.3796	   732.1	   781.2	-10524.7	   603.4
-     64.4295	   711.4	   780.5	-10544.7	   603.3
-     64.4795	   743.8	   780.4	-10512.2	   603.3
-     64.5294	   782.7	   780.4	-10473.4	   603.2
-     64.5794	   715.0	   780.4	-10541.0	   603.2
-     64.6293	   766.5	   780.3	-10489.5	   603.2
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-     64.7293	   795.7	   787.5	-10467.5	   603.1
-     64.7793	   810.5	   787.6	-10452.7	   603.0
-     64.8292	   736.8	   787.7	-10526.5	   603.0
-     64.8790	   765.2	   787.7	-10498.2	   602.9
-     64.9290	   795.1	   787.8	-10468.3	   602.9
-     64.9791	   771.8	   787.9	-10491.7	   602.8
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-     65.1749	   721.3	   788.2	-10542.5	   602.7
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-     65.2749	   733.2	   788.4	-10530.8	   602.6
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-     65.3749	   721.8	   788.6	-10542.4	   602.5
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-     65.4750	   742.7	   788.8	-10521.7	   602.4
-     65.5249	   697.7	   788.9	-10566.8	   602.3
-     65.5749	   741.2	   789.0	-10523.5	   602.3
-     65.6250	   701.9	   789.1	-10562.9	   602.3
-     65.6749	   719.1	   789.3	-10545.8	   602.2
-     65.7249	   750.5	   789.4	-10514.6	   602.2
-     65.7748	   727.3	   789.5	-10537.8	   602.1
-     65.8248	   729.0	   789.7	-10536.3	   602.1
-     65.8747	   743.7	   789.8	-10521.8	   602.1
-     65.9246	   720.3	   789.9	-10545.2	   602.0
-     65.9747	   732.8	   790.1	-10532.9	   602.0
-     66.0246	   682.3	   790.3	-10583.6	   601.9
-     66.0746	   732.6	   790.4	-10533.4	   601.9
-     66.1244	   720.4	   790.6	-10545.9	   601.8
-     66.1744	   758.6	   790.8	-10507.8	   601.8
-     66.2245	   695.8	   791.0	-10570.8	   601.8
-     66.2744	   727.0	   791.2	-10539.8	   601.7
-     66.3326	   708.3	   791.4	-10558.7	   601.7
-     66.3827	   732.0	   791.6	-10535.2	   601.6
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-     66.4829	   707.2	   792.0	-10560.5	   601.6
-     66.5328	   690.3	   792.3	-10577.6	   601.5
-     66.5828	   735.0	   792.5	-10533.2	   601.5
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-     66.6829	   789.2	   793.0	-10479.5	   601.4
-     66.7329	   777.8	   793.3	-10491.1	   601.4
-     66.7828	   725.3	   793.6	-10543.9	   601.3
-     66.8328	   739.2	   793.9	-10530.3	   601.3
-     66.8829	   786.7	   794.1	-10483.1	   601.3
-     66.9327	   753.1	   794.4	-10517.0	   601.2
-     66.9828	   803.1	   794.8	-10467.3	   601.2
-     67.0327	   769.1	   795.1	-10501.6	   601.2
-     67.0827	   875.7	   795.4	-10395.4	   601.1
-     67.1326	   866.0	   795.8	-10405.4	   601.1
-     67.1825	   839.1	   796.1	-10432.6	   601.0
-     67.2326	   836.1	   796.5	-10436.1	   601.0
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-     67.4824	   812.3	   798.6	-10461.9	   600.8
-     67.5323	   842.3	   799.1	-10432.5	   600.8
-     67.5960	   783.9	   799.8	-10491.5	   600.8
-     67.6461	   798.6	   800.3	-10477.3	   600.7
-     67.6962	   728.1	   800.9	-10548.4	   600.7
-     67.7463	   812.6	   801.4	-10464.5	   600.7
-     67.7963	   775.3	   802.0	-10502.3	   600.6
-     67.8462	   743.4	   802.7	-10534.9	   600.6
-     67.8963	   749.8	   803.3	-10529.1	   600.6
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-     67.9964	   762.3	   804.7	-10518.1	   600.5
-     68.0462	   779.1	   805.5	-10502.0	   600.5
-     68.0962	   760.2	   806.3	-10521.7	   600.4
-     68.1463	   738.9	   807.1	-10543.8	   600.4
-     68.1962	   761.0	   807.9	-10522.6	   600.4
-     68.2462	   740.1	   808.8	-10544.3	   600.3
-     68.2962	   751.9	   809.8	-10533.5	   600.3
-     68.3461	   728.8	   810.7	-10557.6	   600.3
-     68.3960	   751.3	   811.8	-10536.1	   600.3
-     68.4460	   735.0	   812.9	-10553.5	   600.2
-     68.4960	   757.5	   814.0	-10532.1	   600.2
-     68.5460	   656.8	   815.2	-10634.0	   600.2
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-     68.6457	   712.2	   817.8	-10581.3	   600.1
-     68.6958	   719.3	   819.2	-10575.5	   600.1
-     68.7458	   696.7	   820.7	-10599.6	   600.1
-     68.7957	   716.3	   822.2	-10581.6	   600.0
-     68.8640	   706.5	   824.5	-10593.6	   600.0
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-     74.2345	   891.2	   875.4	-10459.9	   598.5
-     74.2844	   932.3	   876.8	-10420.1	   598.5
-     74.3344	   927.0	   878.5	-10427.2	   598.5
-     74.3845	   897.3	   880.6	-10458.9	   598.5
-     74.4344	   878.0	   883.1	-10480.7	   598.5
-     74.4844	   915.5	   885.9	-10446.1	   598.5
-     74.5343	   961.7	   889.3	-10403.2	   598.5
-     74.5843	   978.5	   893.1	-10390.3	   598.5
-     74.6342	   971.0	   897.5	-10402.2	   598.5
-     74.6841	  1011.5	   902.6	-10366.7	   598.5
-     74.7342	   989.6	   908.4	-10394.4	   598.5
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-     74.8341	  1043.9	   922.4	-10354.1	   598.5
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-     74.9339	  1085.9	   940.8	-10330.5	   598.5
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-     77.4697	   947.9	   879.3	-10407.0	   599.1
-     77.5196	   964.2	   873.1	-10384.5	   599.1
-     77.5790	   910.0	   866.5	-10432.0	   599.1
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-     77.9793	  1150.7	   836.2	-10161.2	   599.3
-     78.0292	  1198.6	   833.7	-10110.7	   599.3
-     78.0792	  1194.6	   831.3	-10112.3	   599.3
-     78.1293	  1215.7	   829.1	-10089.0	   599.3
-     78.1791	  1197.5	   827.0	-10105.2	   599.4
-     78.2292	  1204.5	   825.1	-10096.2	   599.4
-     78.2791	  1190.8	   823.3	-10108.2	   599.4
-     78.3290	  1103.5	   821.7	-10193.7	   599.4
-     78.3790	  1135.8	   820.1	-10160.0	   599.5
-     78.4289	  1080.8	   811.6	-10206.4	   599.5
-     78.4790	  1029.6	   810.3	-10256.3	   599.5
-     78.5289	   993.3	   809.1	-10291.4	   599.5
-     78.5789	  1020.2	   808.0	-10263.5	   599.6
-     78.6286	   950.9	   807.0	-10331.7	   599.6
-     78.6787	   904.0	   806.1	-10377.7	   599.6
-     78.7288	   923.8	   806.3	-10358.1	   599.6
-     78.7787	   873.8	   805.5	-10407.3	   599.7
-     78.8309	   860.6	   804.8	-10419.8	   599.7
-     78.8810	   849.2	   804.1	-10430.6	   599.7
-     78.9311	   799.4	   803.5	-10479.7	   599.7
-     78.9812	   793.7	   802.9	-10484.9	   599.8
-     79.0312	   793.3	   802.4	-10484.8	   599.8
-     79.0811	   761.0	   802.0	-10516.6	   599.8
-     79.1312	   745.7	   801.6	-10531.5	   599.8
-     79.1812	   766.7	   801.3	-10510.2	   599.9
-     79.2312	   769.4	   801.0	-10507.2	   599.9
-     79.2811	   766.2	   800.8	-10510.2	   599.9
-     79.3311	   815.9	   800.6	-10460.4	   600.0
-     79.3812	   835.5	   800.5	-10440.6	   600.0
-     79.4311	   814.7	   800.5	-10461.5	   600.0
-     79.4811	   751.7	   800.6	-10524.5	   600.0
-     79.5311	   797.3	   800.8	-10479.1	   600.1
-     79.5810	   795.5	   801.1	-10481.2	   600.1
-     79.6309	   790.8	   801.6	-10486.4	   600.1
-     79.6809	   772.4	   802.4	-10505.7	   600.2
-     79.7309	   823.4	   803.8	-10456.0	   600.2
-     79.7809	   788.9	   806.1	-10492.8	   600.2
-     79.8308	   819.1	   809.9	-10466.5	   600.3
-     79.8806	   832.6	   816.4	-10459.4	   600.3
-     79.9307	   878.5	   826.9	-10424.1	   600.3
-     79.9807	   871.5	   843.7	-10447.8	   600.4
-     80.0306	   895.4	   869.0	-10449.3	   600.4
-     80.0703	   882.3	   897.2	-10490.5	   600.4
-     80.1204	   971.2	   945.1	-10449.6	   600.4
-     80.1705	   988.0	  1008.2	-10495.9	   600.5
-     80.2206	  1091.4	  1086.8	-10471.1	   600.5
-     80.2705	  1293.6	  1178.2	-10360.3	   600.5
-     80.3205	  1348.0	  1277.6	-10405.2	   600.6
-     80.3706	  1424.8	  1376.8	-10427.5	   600.6
-     80.4206	  1539.5	  1465.2	-10401.4	   600.7
-     80.4706	  1605.1	  1531.6	-10402.2	   600.7
-     80.5205	  1502.1	  1565.6	-10539.1	   600.7
-     80.5705	  1528.5	  1561.6	-10508.7	   600.8
-     80.6206	  1506.0	  1520.0	-10489.7	   600.8
-     80.6705	  1336.3	  1448.3	-10587.6	   600.8
-     80.7205	  1293.7	  1356.6	-10538.5	   600.9
-     80.7704	  1156.0	  1256.5	-10576.1	   600.9
-     80.8204	  1063.6	  1158.0	-10570.0	   600.9
-     80.8703	   989.2	  1068.7	-10555.1	   601.0
-     80.9203	   964.1	   992.9	-10504.5	   601.0
-     80.9703	   852.3	   932.6	-10555.9	   601.1
-     81.0203	   897.3	   887.3	-10465.6	   601.1
-     81.0702	   840.2	   855.1	-10490.5	   601.1
-     81.1200	   855.2	   833.2	-10453.7	   601.2
-     81.1701	   798.5	   818.9	-10496.1	   601.2
-     81.2201	   799.8	   809.9	-10485.7	   601.2
-     81.2700	   811.7	   804.3	-10468.3	   601.3
-     81.3168	   760.8	   801.1	-10515.9	   601.3
-     81.3669	   761.8	   798.8	-10512.6	   601.4
-     81.4170	   816.0	   797.3	-10457.0	   601.4
-     81.4671	   784.0	   796.3	-10487.9	   601.4
-     81.5170	   783.8	   795.5	-10487.4	   601.5
-     81.5670	   791.5	   794.9	-10479.0	   601.5
-     81.6171	   783.2	   794.4	-10486.9	   601.6
-     81.6671	   790.2	   794.0	-10479.4	   601.6
-     81.7171	   850.4	   793.6	-10418.9	   601.7
-     81.7670	   791.5	   793.3	-10477.5	   601.7
-     81.8170	   847.3	   793.1	-10421.4	   601.7
-     81.8671	   847.8	   792.9	-10420.7	   601.8
-     81.9170	   835.5	   792.7	-10432.9	   601.8
-     81.9670	   769.6	   792.6	-10498.6	   601.9
-     82.0169	   839.8	   792.5	-10428.4	   601.9
-     82.0669	   824.4	   792.4	-10443.7	   602.0
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-     82.1667	   818.7	   792.4	-10449.3	   602.0
-     82.2168	   832.0	   792.4	-10436.1	   602.1
-     82.2667	   738.8	   792.5	-10529.3	   602.1
-     82.3167	   816.4	   792.5	-10451.7	   602.2
-     82.3665	   782.1	   792.6	-10486.2	   602.2
-     82.4165	   809.8	   792.8	-10458.5	   602.3
-     82.4666	   844.6	   792.9	-10423.9	   602.3
-     82.5165	   856.6	   793.1	-10412.1	   602.4
-     82.5695	   821.0	   793.3	-10447.9	   602.4
-     82.6196	   797.5	   793.5	-10471.6	   602.5
-     82.6696	   824.3	   793.8	-10445.1	   602.5
-     82.7197	   848.5	   794.1	-10421.1	   602.6
-     82.7697	   848.7	   790.2	-10417.1	   602.6
-     82.8196	   857.2	   790.6	-10409.1	   602.7
-     82.8697	   870.8	   791.1	-10395.9	   602.7
-     82.9197	   907.6	   791.5	-10359.6	   602.8
-     82.9698	   866.1	   792.1	-10401.6	   602.8
-     83.0196	   905.2	   792.6	-10363.0	   602.9
-     83.0697	   934.0	   793.2	-10334.9	   602.9
-     83.1197	   943.4	   793.9	-10326.1	   603.0
-     83.1696	   960.5	   794.6	-10309.7	   603.0
-     83.2196	  1019.2	   795.4	-10251.9	   603.1
-     83.2696	   927.8	   796.3	-10344.2	   603.1
-     83.3195	   963.2	   797.4	-10309.8	   603.2
-     83.3694	   914.1	   798.4	-10359.9	   603.2
-     83.4194	   984.3	   799.5	-10290.9	   603.3
-     83.4694	   919.1	   800.8	-10357.3	   603.3
-     83.5194	   883.2	   802.1	-10394.5	   603.4
-     83.5693	   910.6	   803.6	-10368.7	   603.4
-     83.6191	   878.5	   805.3	-10402.4	   603.5
-     83.6692	   855.2	   807.1	-10427.6	   603.5
-     83.7193	   883.2	   809.2	-10401.6	   603.6
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-     83.8304	   869.1	   814.8	-10421.3	   603.7
-     83.8805	   830.6	   817.8	-10462.8	   603.8
-     83.9306	   893.4	   821.3	-10403.5	   603.8
-     83.9807	   852.5	   825.5	-10448.5	   603.9
-     84.0307	   829.1	   830.5	-10477.0	   603.9
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-     84.1307	   832.5	   845.6	-10488.7	   604.0
-     84.1807	   865.0	   858.5	-10469.1	   604.1
-     84.2308	   859.6	   878.6	-10494.6	   604.1
-     84.2806	   801.7	   911.0	-10584.9	   604.2
-     84.3307	   869.0	   964.2	-10570.9	   604.3
-     84.3807	   931.1	  1050.1	-10594.6	   604.3
-     84.4306	  1002.0	  1183.6	-10657.2	   604.4
-     84.4806	  1097.1	  1383.8	-10762.3	   604.4
-     84.5306	  1409.6	  1668.2	-10734.3	   604.5
-     84.5805	  1881.7	  2051.1	-10645.0	   604.5
-     84.6304	  2584.4	  2535.7	-10426.9	   604.6
-     84.6804	  3480.6	  3110.8	-10105.9	   604.7
-     84.7304	  4309.0	  3744.8	 -9911.4	   604.7
-     84.7804	  5040.0	  4382.9	 -9818.6	   604.8
-     84.8303	  5577.6	  4956.2	 -9854.3	   604.8
-     84.8801	  5632.4	  5385.4	-10228.6	   604.9
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-     84.9802	  5285.0	  5567.7	-10758.4	   605.0
-     85.0302	  4995.2	  5285.2	-10765.6	   605.1
-     85.0723	  4382.1	  4891.4	-10985.0	   605.1
-     85.1224	  3750.5	  4304.1	-11029.1	   605.2
-     85.1725	  3199.1	  3661.8	-10938.3	   605.3
-     85.2226	  2512.8	  3031.9	-10994.8	   605.3
-     85.2726	  1997.5	  2467.4	-10945.5	   605.4
-     85.3225	  1730.1	  1995.5	-10741.0	   605.5
-     85.3726	  1577.0	  1625.5	-10524.1	   605.5
-     85.4226	  1285.6	  1353.1	-10543.1	   605.6
-     85.4727	  1156.0	  1163.1	-10482.7	   605.6
-     85.5225	   990.0	  1037.4	-10523.0	   605.7
-     85.5725	   940.9	   957.0	-10491.7	   605.8
-     85.6226	   870.0	   907.2	-10512.9	   605.8
-     85.6725	   808.2	   877.0	-10544.4	   605.9
-     85.7225	   799.3	   858.2	-10534.6	   606.0
-     85.7725	   788.1	   846.2	-10533.8	   606.0
-     85.8224	   793.8	   838.0	-10519.9	   606.1
-     85.8723	   839.4	   832.0	-10468.2	   606.2
-     85.9223	   774.5	   827.2	-10528.4	   606.2
-     85.9723	   796.7	   823.3	-10502.2	   606.3
-     86.0223	   757.3	   820.0	-10538.3	   606.4
-     86.0722	   740.9	   817.1	-10551.8	   606.4
-     86.1220	   798.9	   814.6	-10491.3	   606.5
-     86.1721	   781.4	   812.4	-10506.6	   606.6
-     86.2221	   790.4	   810.4	-10495.6	   606.6
-     86.2720	   699.2	   808.6	-10585.1	   606.7
-     86.3040	   752.0	   807.6	-10531.2	   606.7
-     86.3541	   750.9	   806.2	-10530.9	   606.8
-     86.4042	   714.1	   804.9	-10566.4	   606.9
-     86.4543	   776.1	   803.7	-10503.2	   606.9
-     86.5042	   738.1	   802.6	-10540.2	   607.0
-     86.5542	   750.3	   801.7	-10527.0	   607.1
-     86.6042	   747.9	   800.8	-10528.5	   607.2
-     86.6543	   788.6	   800.1	-10487.0	   607.2
-     86.7043	   772.4	   799.3	-10502.5	   607.3
-     86.7542	   707.3	   798.7	-10567.0	   607.4
-     86.8042	   769.7	   798.1	-10504.1	   607.4
-     86.8543	   791.6	   797.6	-10481.7	   607.5
-     86.9042	   800.5	   797.1	-10472.3	   607.6
-     86.9542	   697.2	   796.7	-10575.1	   607.6
-     87.0041	   779.7	   796.2	-10492.1	   607.7
-     87.0540	   737.9	   795.8	-10533.6	   607.8
-     87.1040	   819.8	   795.5	-10451.4	   607.9
-     87.1539	   762.2	   795.2	-10508.6	   607.9
-     87.2040	   762.6	   795.0	-10508.1	   608.0
-     87.2539	   772.9	   794.8	-10497.5	   608.1
-     87.3039	   752.5	   794.6	-10517.7	   608.2
-     87.3536	   786.2	   794.4	-10483.8	   608.2
-     87.4037	   776.4	   794.3	-10493.5	   608.3
-     87.4538	   765.3	   794.2	-10504.4	   608.4
-     87.5037	   839.2	   794.1	-10430.4	   608.5
-     87.5569	   746.0	   794.0	-10523.6	   608.5
-     87.6070	   759.7	   794.0	-10509.9	   608.6
-     87.6571	   819.8	   793.9	-10449.8	   608.7
-     87.7072	   805.2	   793.9	-10464.3	   608.8
-     87.7571	   752.4	   794.0	-10517.2	   608.8
-     87.8071	   729.0	   794.0	-10540.6	   608.9
-     87.8571	   772.0	   794.1	-10497.7	   609.0
-     87.9072	   765.8	   794.4	-10504.2	   609.1
-     87.9572	   804.5	   794.5	-10465.7	   609.1
-     88.0071	   757.8	   794.7	-10512.5	   609.2
-     88.0571	   729.3	   794.9	-10541.3	   609.3
-     88.1072	   824.0	   795.2	-10446.8	   609.4
-     88.1570	   779.0	   795.4	-10492.0	   609.5
-     88.2071	   776.2	   795.8	-10495.2	   609.5
-     88.2570	   783.0	   796.2	-10488.8	   609.6
-     88.3069	   777.9	   796.6	-10494.4	   609.7
-     88.3569	   752.9	   797.2	-10519.9	   609.8
-     88.4068	   806.4	   797.9	-10467.1	   609.8
-     88.4569	   811.9	   798.7	-10462.5	   609.9
-     88.5068	   805.4	   799.8	-10470.1	   610.0
-     88.5568	   778.5	   801.4	-10498.5	   610.1
-     88.6065	   814.0	   803.7	-10465.4	   610.2
-     88.6566	   800.2	   807.6	-10483.0	   610.3
-     88.7067	   846.2	   813.9	-10443.4	   610.3
-     88.7566	   842.2	   824.3	-10457.8	   610.4
-     88.8338	   829.1	   853.7	-10500.3	   610.5
-     88.8839	   892.1	   885.8	-10469.3	   610.6
-     88.9340	   920.6	   931.4	-10486.4	   610.7
-     88.9841	  1004.5	   992.6	-10463.6	   610.8
-     89.0340	  1050.2	  1069.1	-10494.5	   610.9
-     89.0840	  1221.8	  1158.3	-10412.2	   611.0
-     89.1341	  1365.3	  1254.2	-10364.6	   611.0
-     89.1841	  1335.1	  1347.2	-10487.7	   611.1
-     89.2342	  1457.2	  1425.1	-10443.6	   611.2
-     89.2840	  1527.6	  1475.5	-10423.5	   611.3
-     89.3340	  1428.8	  1489.1	-10536.0	   611.4
-     89.3841	  1395.1	  1462.8	-10543.4	   611.5
-     89.4340	  1375.3	  1402.4	-10502.7	   611.5
-     89.4840	  1247.5	  1318.3	-10546.4	   611.6
-     89.5340	  1132.7	  1223.4	-10566.3	   611.7
-     89.5839	  1077.7	  1129.0	-10527.0	   611.8
-     89.6338	   960.0	  1043.5	-10559.1	   611.9
-     89.6838	   899.3	   971.9	-10548.2	   612.0
-     89.7338	   962.6	   915.9	-10428.9	   612.1
-     89.7838	   834.7	   875.1	-10516.0	   612.1
-     89.8337	   846.4	   846.9	-10476.2	   612.2
-     89.8835	   810.2	   828.5	-10493.9	   612.3
-     89.9336	   777.2	   816.9	-10515.3	   612.4
-     89.9836	   833.4	   809.8	-10452.1	   612.5
-     90.0335	   741.4	   805.6	-10539.8	   612.6
-     90.0856	   789.8	   802.9	-10488.7	   612.7
-     90.1357	   775.5	   801.3	-10501.5	   612.8
-     90.1857	   725.9	   800.2	-10549.9	   612.9
-     90.2358	   752.3	   799.4	-10522.7	   612.9
-     90.2858	   723.2	   798.7	-10551.2	   613.0
-     90.3357	   799.1	   798.2	-10474.7	   613.1
-     90.3858	   731.4	   797.8	-10542.0	   613.2
-     90.4359	   768.0	   797.4	-10505.0	   613.3
-     90.4859	   772.9	   797.1	-10499.8	   613.4
-     90.5358	   736.6	   796.8	-10535.8	   613.5
-     90.5858	   691.8	   796.6	-10580.5	   613.6
-     90.6358	   723.6	   796.4	-10548.4	   613.7
-     90.6857	   802.1	   796.3	-10469.8	   613.8
-     90.7357	   783.5	   796.1	-10488.2	   613.8
-     90.7857	   766.2	   796.0	-10505.5	   613.9
-     90.8356	   789.2	   796.0	-10482.4	   614.0
-     90.8856	   705.3	   795.9	-10566.2	   614.1
-     90.9355	   747.7	   795.8	-10523.8	   614.2
-     90.9855	   823.4	   795.8	-10448.1	   614.3
-     91.0355	   771.0	   795.8	-10500.5	   614.4
-     91.0854	   749.9	   795.8	-10521.5	   614.5
-     91.1352	   759.8	   795.8	-10511.7	   614.6
-     91.1853	   785.5	   795.8	-10486.0	   614.7
-     91.2354	   759.7	   794.8	-10510.6	   614.8
-     91.2853	   764.0	   794.8	-10506.5	   614.9
-     91.3317	   791.4	   794.9	-10479.1	   615.0
-     91.3818	   800.2	   794.9	-10470.4	   615.1
-     91.4319	   751.1	   795.0	-10519.5	   615.2
-     91.4820	   779.2	   795.1	-10491.5	   615.2
-     91.5319	   789.5	   795.2	-10481.3	   615.3
-     91.5819	   717.8	   795.3	-10553.1	   615.4
-     91.6320	   732.6	   795.4	-10538.5	   615.5
-     91.6820	   848.5	   795.6	-10422.7	   615.6
-     91.7320	   751.7	   795.7	-10519.6	   615.7
-     91.7819	   781.8	   795.9	-10489.7	   615.8
-     91.8319	   798.0	   796.0	-10473.6	   615.9
-     91.8820	   738.1	   796.2	-10533.7	   616.0
-     91.9319	   802.1	   796.3	-10469.9	   616.1
-     91.9819	   776.7	   796.5	-10495.4	   616.2
-     92.0318	   759.8	   796.7	-10512.6	   616.3
-     92.0818	   771.5	   797.0	-10501.1	   616.4
-     92.1317	   731.9	   797.2	-10540.9	   616.5
-     92.1816	   785.0	   797.4	-10488.0	   616.6
-     92.2317	   773.2	   797.7	-10500.2	   616.7
-     92.2816	   832.7	   798.0	-10440.9	   616.8
-     92.3316	   817.1	   798.3	-10456.8	   616.9
-     92.3814	   852.2	   798.6	-10422.1	   617.0
-     92.4314	   769.1	   799.0	-10505.5	   617.1
-     92.4815	   803.6	   799.4	-10471.5	   617.2
-     92.5314	   798.5	   799.9	-10477.0	   617.3
-     92.5702	   839.2	   800.3	-10436.7	   617.4
-     92.6204	   784.5	   800.8	-10491.9	   617.5
-     92.6704	   817.7	   801.4	-10459.3	   617.6
-     92.7205	   774.6	   802.1	-10503.2	   617.7
-     92.7705	   824.1	   802.9	-10454.5	   617.8
-     92.8204	   809.2	   803.9	-10470.3	   617.9
-     92.8705	   804.3	   805.0	-10476.3	   618.0
-     92.9205	   863.2	   806.5	-10418.9	   618.1
-     92.9706	   772.2	   808.7	-10512.1	   618.2
-     93.0204	   785.9	   811.9	-10501.6	   618.3
-     93.0704	   819.7	   817.1	-10473.1	   618.4
-     93.1205	   840.5	   825.8	-10460.9	   618.5
-     93.1704	   851.9	   840.1	-10463.8	   618.6
-     93.2204	   873.6	   862.9	-10464.9	   618.7
-     93.2704	   890.1	   897.7	-10483.3	   618.8
-     93.3203	   928.9	   948.0	-10494.7	   618.9
-     93.3702	  1017.0	  1016.0	-10474.6	   619.0
-     93.4202	  1157.5	  1102.0	-10420.2	   619.1
-     93.4702	  1365.6	  1202.7	-10312.8	   619.2
-     93.5202	  1433.9	  1310.2	-10351.9	   619.4
-     93.5701	  1549.8	  1412.9	-10338.7	   619.5
-     93.6199	  1581.4	  1495.9	-10390.1	   619.6
-     93.6700	  1595.1	  1545.0	-10425.5	   619.7
-     93.7200	  1541.9	  1549.4	-10483.1	   619.8
-     93.7700	  1504.8	  1508.1	-10478.9	   619.9
-     93.8098	  1457.6	  1448.2	-10466.2	   620.0
-     93.8599	  1310.9	  1351.0	-10515.7	   620.1
-     93.9100	  1231.3	  1243.7	-10488.1	   620.2
-     93.9601	  1134.1	  1139.3	-10480.9	   620.3
-     94.0101	   983.8	  1047.4	-10539.3	   620.4
-     94.0600	  1009.7	   972.7	-10438.6	   620.5
-     94.1101	   961.7	   916.1	-10430.0	   620.6
-     94.1601	   843.7	   876.0	-10507.9	   620.7
-     94.2102	   864.4	   849.4	-10460.6	   620.8
-     94.2600	   829.2	   832.5	-10478.9	   620.9
-     94.3101	   856.6	   822.3	-10441.3	   621.1
-     94.3601	   837.0	   816.1	-10454.8	   621.2
-     94.4100	   765.7	   812.5	-10522.4	   621.3
-     94.4600	   733.0	   810.2	-10552.9	   621.4
-     94.5100	   802.4	   808.7	-10482.0	   621.5
-     94.5599	   786.5	   807.7	-10496.8	   621.6
-     94.6098	   755.4	   806.8	-10527.1	   621.7
-     94.6598	   718.6	   806.2	-10563.2	   621.8
-     94.7098	   803.6	   805.7	-10477.7	   621.9
-     94.7598	   766.3	   805.2	-10514.5	   622.0
-     94.8097	   841.3	   804.8	-10439.1	   622.2
-     94.8595	   814.8	   804.5	-10465.3	   622.3
-     94.9096	   787.1	   804.2	-10492.7	   622.4
-     94.9596	   766.1	   804.0	-10513.5	   622.5
-     95.0095	   805.0	   803.8	-10474.4	   622.6
-     95.0684	   782.7	   803.6	-10496.6	   622.7
-     95.1185	   822.2	   803.5	-10456.9	   622.9
-     95.1686	   842.7	   803.4	-10436.3	   623.0
-     95.2187	   799.3	   803.3	-10479.6	   623.1
-     95.2686	   832.3	   803.2	-10446.6	   623.2
-     95.3186	   851.8	   803.2	-10427.1	   623.3
-     95.3686	   846.9	   803.0	-10431.7	   623.4
-     95.4187	   833.0	   803.0	-10445.6	   623.5
-     95.4687	   804.9	   803.0	-10473.7	   623.6
-     95.5186	   866.0	   803.0	-10412.5	   623.8
-     95.5686	   892.0	   803.0	-10386.6	   623.9
-     95.6187	   840.5	   803.0	-10438.1	   624.0
-     95.6685	   839.1	   803.0	-10439.5	   624.1
-     95.7186	   870.1	   803.0	-10408.5	   624.2
-     95.7685	   817.1	   803.1	-10461.6	   624.3
-     95.8185	   882.8	   803.1	-10396.0	   624.5
-     95.8684	   821.3	   803.2	-10457.5	   624.6
-     95.9183	   898.8	   803.2	-10380.0	   624.7
-     95.9684	   880.8	   803.3	-10398.1	   624.8
-     96.0183	   838.2	   803.3	-10440.7	   624.9
-     96.0683	   842.3	   803.4	-10436.7	   625.0
-     96.1180	   845.5	   803.5	-10433.6	   625.2
-     96.1681	   869.8	   803.5	-10409.4	   625.3
-     96.2182	   796.2	   803.6	-10483.1	   625.4
-     96.2681	   774.3	   803.7	-10505.0	   625.5
-     96.3051	   818.6	   803.7	-10460.7	   625.6
-     96.3552	   757.6	   803.8	-10521.8	   625.7
-     96.4053	   802.2	   803.9	-10477.3	   625.8
-     96.4554	   856.7	   804.0	-10422.9	   625.9
-     96.5053	   778.5	   804.1	-10501.2	   626.1
-     96.5553	   869.6	   804.2	-10410.2	   626.2
-     96.6053	   863.0	   804.3	-10416.9	   626.3
-     96.6554	   864.3	   804.4	-10415.7	   626.4
-     96.7054	   834.0	   804.5	-10446.1	   626.5
-     96.7553	   856.7	   804.6	-10423.5	   626.7
-     96.8053	   807.0	   804.6	-10473.3	   626.8
-     96.8554	   784.6	   804.7	-10495.8	   626.9
-     96.9052	   827.6	   804.8	-10452.8	   627.0
-     96.9553	   836.6	   804.9	-10443.9	   627.1
-     97.0052	   807.7	   805.0	-10473.0	   627.3
-     97.0552	   787.0	   805.2	-10493.8	   627.4
-     97.1051	   802.5	   805.3	-10478.3	   627.5
-     97.1550	   781.4	   808.3	-10502.5	   627.6
-     97.2051	   753.3	   808.4	-10530.7	   627.8
-     97.2550	   747.9	   808.6	-10536.3	   627.9
-     97.3050	   797.7	   808.8	-10486.6	   628.0
-     97.3547	   743.9	   808.9	-10540.6	   628.1
-     97.4048	   796.2	   809.1	-10488.5	   628.2
-     97.4549	   788.7	   809.3	-10496.2	   628.4
-     97.5048	   794.7	   809.4	-10490.3	   628.5
-     97.5651	   762.0	   809.7	-10523.3	   628.6
-     97.6152	   776.6	   809.8	-10508.8	   628.8
-     97.6652	   809.8	   810.0	-10475.9	   628.9
-     97.7153	   755.0	   810.2	-10530.9	   629.0
-     97.7653	   793.5	   810.4	-10492.6	   629.1
-     97.8153	   771.5	   810.6	-10514.7	   629.3
-     97.8653	   793.2	   810.8	-10493.2	   629.4
-     97.9154	   700.8	   811.0	-10585.8	   629.5
-     97.9654	   744.7	   811.2	-10542.1	   629.6
-     98.0153	   829.6	   811.4	-10457.4	   629.8
-     98.0653	   760.0	   811.6	-10527.2	   629.9
-     98.1154	   804.5	   811.8	-10482.9	   630.0
-     98.1652	   775.0	   812.0	-10512.7	   630.1
-     98.2152	   796.9	   812.2	-10490.9	   630.3
-     98.2652	   804.5	   812.5	-10483.6	   630.4
-     98.3151	   797.9	   812.7	-10490.4	   630.5
-     98.3651	   784.3	   812.9	-10504.2	   630.6
-     98.4150	   876.4	   813.2	-10412.4	   630.8
-     98.4650	   782.6	   813.4	-10506.4	   630.9
-     98.5150	   783.0	   813.7	-10506.3	   631.0
-     98.5650	   797.1	   813.9	-10492.5	   631.1
-     98.6147	   822.7	   814.2	-10467.1	   631.3
-     98.6648	   824.1	   814.4	-10466.0	   631.4
-     98.7149	   785.1	   814.7	-10505.2	   631.5
-     98.7648	   797.9	   815.0	-10492.7	   631.7
-     98.8340	   794.1	   815.4	-10496.9	   631.8
-     98.8841	   744.2	   815.7	-10547.1	   632.0
-     98.9341	   805.8	   816.0	-10485.8	   632.1
-     98.9842	   834.0	   816.3	-10457.9	   632.2
-     99.0342	   859.3	   816.6	-10432.9	   632.3
-     99.0842	   861.1	   816.9	-10431.5	   632.5
-     99.1342	   821.7	   817.2	-10471.2	   632.6
-     99.1843	   780.5	   817.6	-10512.7	   632.7
-     99.2343	   790.3	   817.9	-10503.2	   632.9
-     99.2841	   772.8	   818.3	-10521.1	   633.0
-     99.3342	   833.2	   818.7	-10461.1	   633.1
-     99.3842	   792.0	   819.1	-10502.7	   633.3
-     99.4341	   800.0	   819.4	-10495.1	   633.4
-     99.4842	   836.6	   819.9	-10458.9	   633.5
-     99.5341	   802.7	   820.1	-10493.0	   633.6
-     99.5840	   848.1	   820.5	-10448.1	   633.8
-     99.6340	   781.6	   821.0	-10515.0	   633.9
-     99.6839	   764.0	   821.5	-10533.0	   634.0
-     99.7339	   810.2	   822.0	-10487.3	   634.2
-     99.7839	   828.8	   822.5	-10469.3	   634.3
-     99.8338	   833.7	   823.0	-10465.0	   634.4
-     99.8836	   777.4	   823.6	-10521.8	   634.6
-     99.9337	   807.5	   824.2	-10492.3	   634.7
-     99.9838	   770.0	   824.8	-10530.4	   634.8
-    100.0337	   860.3	   825.4	-10440.8	   635.0
-    100.0806	   798.0	   826.1	-10503.7	   635.1
-    100.1307	   770.8	   826.8	-10531.6	   635.2
-    100.1808	   802.2	   827.5	-10501.0	   635.4
-    100.2309	   812.2	   828.3	-10491.8	   635.5
-    100.2808	   834.9	   829.1	-10469.8	   635.6
-    100.3308	   755.1	   830.0	-10550.6	   635.8
-    100.3809	   810.1	   831.0	-10496.5	   635.9
-    100.4309	   808.2	   831.9	-10499.3	   636.0
-    100.4809	   807.9	   833.0	-10500.7	   636.2
-    100.5308	   767.2	   834.1	-10542.6	   636.3
-    100.5808	   829.0	   835.3	-10481.9	   636.4
-    100.6309	   788.4	   836.6	-10523.8	   636.6
-    100.6808	   802.1	   837.9	-10511.4	   636.7
-    100.7308	   765.1	   839.4	-10549.9	   636.8
-    100.7807	   814.0	   841.0	-10502.6	   637.0
-    100.8307	   798.7	   842.7	-10519.6	   637.1
-    100.8806	   823.0	   844.5	-10497.1	   637.2
-    100.9305	   812.5	   846.5	-10509.6	   637.4
-    100.9806	   811.0	   848.7	-10513.3	   637.5
-    101.0305	   814.1	   851.1	-10512.6	   637.6
-    101.0805	   835.1	   853.7	-10494.2	   637.8
-    101.1303	   858.7	   856.5	-10473.5	   637.9
-    101.1804	   802.3	   859.7	-10533.0	   638.0
-    101.2304	   800.9	   863.2	-10537.9	   638.2
-    101.2803	   810.9	   867.1	-10531.8	   638.3
-    101.3253	   864.6	   871.0	-10482.0	   638.4
-    101.3755	   849.4	   875.8	-10502.0	   638.6
-    101.4255	   927.2	   881.3	-10429.7	   638.7
-    101.4756	   863.4	   887.4	-10499.7	   638.9
-    101.5256	   889.1	   894.5	-10481.0	   639.0
-    101.5755	   902.6	   902.5	-10475.5	   639.1
-    101.6256	   877.9	   911.9	-10509.6	   639.3
-    101.6756	   887.4	   922.9	-10511.1	   639.4
-    101.7257	   955.7	   936.1	-10456.0	   639.5
-    101.7755	   915.2	   952.6	-10513.0	   639.7
-    101.8256	  1006.9	   974.8	-10443.5	   639.8
-    101.8756	   945.6	  1007.0	-10537.0	   640.0
-    101.9255	   949.2	  1061.1	-10587.5	   640.1
-    101.9755	   984.2	  1146.3	-10637.6	   640.2
-    102.0255	  1015.6	  1290.9	-10750.9	   640.4
-    102.0754	  1106.9	  1532.6	-10901.3	   640.5
-    102.1253	  1481.1	  1920.1	-10914.6	   640.7
-    102.1753	  2039.8	  2507.1	-10943.0	   640.8
-    102.2253	  3115.6	  3337.4	-10697.4	   640.9
-    102.2753	  4819.8	  4421.4	-10077.3	   641.1
-    102.3252	  6814.8	  5716.8	 -9377.7	   641.2
-    102.3750	  8308.9	  7112.2	 -9278.9	   641.3
-    102.4251	  9564.5	  8443.8	 -9354.9	   641.5
-    102.4752	  9824.5	  9474.4	-10125.5	   641.6
-    102.5250	  9957.5	  9976.1	-10494.2	   641.8
-    102.5705	  9452.6	  9862.1	-10885.1	   641.9
-    102.6207	  8475.2	  9137.9	-11138.4	   642.0
-    102.6707	  7204.1	  7965.8	-11237.3	   642.2
-    102.7208	  6119.6	  6582.3	-10938.3	   642.3
-    102.7708	  4776.2	  5205.2	-10904.6	   642.5
-    102.8207	  3862.4	  3981.0	-10594.3	   642.6
-    102.8708	  3107.8	  2992.0	-10359.8	   642.7
-    102.9208	  2539.4	  2258.4	-10194.7	   642.9
-    102.9709	  2119.1	  1753.9	-10110.4	   643.0
-    103.0207	  1655.9	  1429.8	-10249.5	   643.2
-    103.0707	  1467.2	  1230.9	-10239.3	   643.3
-    103.1208	  1223.4	  1113.3	-10365.5	   643.5
-    103.1707	  1080.9	  1044.5	-10439.2	   643.6
-    103.2207	  1063.3	  1002.6	-10415.0	   643.7
-    103.2707	   915.1	   975.5	-10536.0	   643.9
-    103.3206	   985.0	   956.4	-10447.0	   644.0
-    103.3705	   962.0	   941.8	-10455.4	   644.2
-    103.4205	   954.1	   930.0	-10451.5	   644.3
-    103.4705	   891.8	   920.1	-10504.0	   644.5
-    103.5205	   907.1	   911.8	-10480.3	   644.6
-    103.5704	   854.1	   904.6	-10526.1	   644.7
-    103.6202	   891.1	   898.5	-10483.0	   644.9
-    103.6703	   902.6	   893.1	-10466.1	   645.0
-    103.7204	   871.9	   888.4	-10492.1	   645.2
-    103.7702	   852.1	   884.3	-10507.8	   645.3
-    103.8171	   865.7	   880.9	-10490.8	   645.4
-    103.8672	   883.2	   877.7	-10470.1	   645.6
-    103.9173	   903.8	   874.9	-10446.7	   645.7
-    103.9674	   871.0	   872.4	-10477.0	   645.9
-    104.0173	   928.5	   870.3	-10417.4	   646.0
-    104.0673	   884.5	   868.3	-10459.5	   646.2
-    104.1173	   918.8	   866.7	-10423.5	   646.3
-    104.1674	   889.7	   865.2	-10451.1	   646.5
-    104.2174	   875.2	   863.9	-10464.3	   646.6
-    104.2673	   868.2	   862.8	-10470.2	   646.7
-    104.3173	   925.2	   861.8	-10412.2	   646.9
-    104.3674	   821.8	   861.0	-10514.8	   647.0
-    104.4173	   882.0	   860.3	-10453.9	   647.2
-    104.4673	   877.4	   859.8	-10458.0	   647.3
-    104.5172	   866.1	   859.3	-10468.8	   647.5
-    104.5672	   894.8	   859.0	-10439.8	   647.6
-    104.6171	   915.2	   858.7	-10419.2	   647.8
-    104.6670	   895.8	   858.6	-10438.4	   647.9
-    104.7171	   856.3	   858.6	-10477.9	   648.1
-    104.7670	   872.7	   858.6	-10461.6	   648.2
-    104.8170	   890.1	   858.8	-10444.3	   648.3
-    104.8668	   914.3	   859.1	-10420.4	   648.5
-    104.9168	   920.2	   859.4	-10414.9	   648.6
-    104.9669	   916.8	   859.9	-10418.7	   648.8
-    105.0168	   913.1	   860.4	-10423.0	   648.9
-    105.0558	   882.1	   860.9	-10454.5	   649.0
-    105.1059	   898.3	   861.7	-10439.0	   649.2
-    105.1560	   884.6	   862.5	-10453.6	   649.3
-    105.2061	   899.3	   863.5	-10439.8	   649.5
-    105.2560	   908.3	   864.6	-10431.9	   649.6
-    105.3060	   947.9	   865.9	-10393.6	   649.8
-    105.3560	   866.1	   867.3	-10476.8	   649.9
-    105.4061	   890.1	   868.9	-10454.4	   650.1
-    105.4561	   905.2	   870.6	-10441.0	   650.2
-    105.5060	   884.1	   872.6	-10464.1	   650.4
-    105.5560	   939.3	   874.8	-10411.1	   650.5
-    105.6061	   929.6	   877.2	-10423.2	   650.7
-    105.6560	   949.8	   879.9	-10405.7	   650.8
-    105.7060	   902.7	   883.0	-10455.9	   651.0
-    105.7559	   973.1	   886.4	-10388.9	   651.1
-    105.8058	   978.8	   890.3	-10387.1	   651.3
-    105.8558	   963.0	   894.6	-10407.2	   651.4
-    105.9057	   999.1	   899.5	-10376.1	   651.6
-    105.9558	   994.3	   905.1	-10386.4	   651.7
-    106.0057	  1026.3	   911.5	-10360.8	   651.9
-    106.0557	  1006.8	   918.8	-10387.7	   652.0
-    106.1054	  1023.6	   927.2	-10379.2	   652.2
-    106.1555	  1114.9	   937.0	-10297.7	   652.3
-    106.2056	  1038.9	   948.5	-10385.3	   652.5
-    106.2555	  1134.3	   962.3	-10303.6	   652.6
-    106.3147	  1173.1	   982.9	-10285.4	   652.8
-    106.3648	  1238.7	  1006.3	-10243.2	   652.9
-    106.4149	  1144.4	  1039.8	-10371.1	   653.1
-    106.4650	  1042.0	  1092.2	-10525.9	   653.2
-    106.5150	  1102.5	  1179.5	-10552.7	   653.4
-    106.5649	  1180.5	  1329.4	-10624.5	   653.5
-    106.6150	  1274.0	  1584.5	-10786.1	   653.7
-    106.6650	  1690.8	  1999.6	-10784.4	   653.8
-    106.7151	  2368.6	  2644.9	-10752.0	   654.0
-    106.7649	  3600.3	  3546.3	-10421.6	   654.1
-    106.8149	  5354.5	  4728.9	 -9850.0	   654.3
-    106.8650	  7645.1	  6135.9	 -8966.4	   654.4
-    106.9149	  9275.3	  7622.6	 -8822.9	   654.6
-    106.9649	 10622.8	  8982.2	 -8835.0	   654.7
-    107.0149	 10743.6	  9937.9	 -9669.9	   654.9
-    107.0648	 10356.4	 10245.8	-10365.0	   655.0
-    107.1147	  9398.4	  9815.4	-10892.6	   655.2
-    107.1647	  7960.5	  8771.9	-11287.0	   655.3
-    107.2147	  6723.9	  7371.5	-11123.2	   655.5
-    107.2647	  5444.8	  5883.7	-10914.5	   655.6
-    107.3146	  4349.7	  4512.3	-10638.3	   655.8
-    107.3644	  3521.3	  3381.1	-10335.4	   655.9
-    107.4145	  2980.2	  2523.2	-10018.6	   656.1
-    107.4645	  2424.6	  1928.5	 -9979.5	   656.2
-    107.5144	  2042.3	  1546.3	 -9979.6	   656.4
-    107.5715	  1599.4	  1289.1	-10165.3	   656.6
-    107.6216	  1416.6	  1162.3	-10221.4	   656.7
-    107.6716	  1234.7	  1088.5	-10329.4	   656.9
-    107.7217	  1150.5	  1043.8	-10368.9	   657.0
-    107.7717	  1090.5	  1014.6	-10399.7	   657.2
-    107.8217	  1045.0	   993.8	-10424.4	   657.3
-    107.8717	   999.7	   977.8	-10453.7	   657.5
-    107.9218	  1024.7	   964.8	-10415.7	   657.6
-    107.9718	   947.2	   951.1	-10479.5	   657.8
-    108.0217	   908.2	   942.1	-10509.6	   657.9
-    108.0717	   929.1	   934.4	-10480.9	   658.1
-    108.1218	   902.0	   927.8	-10501.4	   658.2
-    108.1716	   919.2	   922.2	-10478.6	   658.4
-    108.2216	   899.3	   917.3	-10493.6	   658.5
-    108.2716	   901.1	   913.1	-10487.6	   658.7
-    108.3215	   939.8	   909.4	-10445.3	   658.8
-    108.3715	   950.5	   906.3	-10431.5	   659.0
-    108.4214	   873.9	   903.6	-10505.3	   659.1
-    108.4715	   900.5	   901.3	-10476.3	   659.3
-    108.5214	   910.4	   899.3	-10464.5	   659.4
-    108.5714	   856.5	   897.6	-10516.7	   659.6
-    108.6211	   961.3	   896.2	-10410.6	   659.7
-    108.6712	   885.5	   895.0	-10485.1	   659.9
-    108.7213	   899.3	   894.1	-10470.4	   660.0
-    108.7712	   888.7	   893.4	-10480.3	   660.2
-    108.8085	   881.9	   892.9	-10486.7	   660.3
-    108.8586	   855.3	   892.5	-10512.8	   660.5
-    108.9086	   847.9	   892.3	-10520.0	   660.6
-    108.9587	   870.9	   892.2	-10497.0	   660.8
-    109.0087	   890.6	   892.3	-10477.4	   660.9
-    109.0586	   871.6	   892.5	-10496.6	   661.1
-    109.1087	   857.4	   892.9	-10511.2	   661.2
-    109.1588	   875.0	   893.5	-10494.1	   661.4
-    109.2088	   861.4	   894.1	-10508.4	   661.5
-    109.2587	   867.7	   895.0	-10502.9	   661.7
-    109.3087	   933.2	   895.9	-10438.4	   661.8
-    109.3587	   913.5	   897.1	-10459.2	   662.0
-    109.4086	   884.2	   898.4	-10489.8	   662.2
-    109.4586	   872.0	   899.8	-10503.5	   662.3
-    109.5086	   879.1	   901.4	-10497.9	   662.5
-    109.5585	   864.7	   903.2	-10514.2	   662.6
-    109.6085	   899.7	   905.2	-10481.2	   662.8
-    109.6584	   949.0	   907.4	-10434.1	   662.9
-    109.7084	   926.5	   909.8	-10458.9	   663.1
-    109.7584	   923.3	   912.5	-10464.8	   663.2
-    109.8083	   919.8	   915.4	-10471.3	   663.4
-    109.8581	   924.2	   918.6	-10470.0	   663.5
-    109.9082	   938.0	   922.1	-10459.7	   663.7
-    109.9583	   890.2	   926.0	-10511.4	   663.8
-    110.0082	   959.1	   930.2	-10446.7	   664.0
-    110.0547	   894.2	   934.5	-10515.9	   664.1
-    110.1049	   904.1	   939.6	-10511.1	   664.3
-    110.1549	   934.6	   945.2	-10486.2	   664.4
-    110.2050	   952.6	   951.4	-10474.4	   664.6
-    110.2550	   964.6	   958.3	-10469.3	   664.7
-    110.3049	  1039.3	   965.9	-10402.2	   664.9
-    110.3550	  1010.1	   974.4	-10439.9	   665.1
-    110.4051	  1013.2	   983.8	-10446.3	   665.2
-    110.4551	  1030.0	   994.5	-10440.1	   665.4
-    110.5049	  1039.0	  1006.4	-10443.0	   665.5
-    110.5550	  1075.8	  1019.9	-10419.7	   665.7
-    110.6050	  1030.7	  1035.3	-10480.2	   665.8
-    110.6549	  1155.8	  1052.7	-10372.5	   666.0
-    110.7049	  1138.4	  1072.8	-10410.0	   666.1
-    110.7549	  1171.6	  1096.0	-10400.0	   666.3
-    110.8048	  1239.1	  1122.9	-10359.5	   666.4
-    110.8548	  1276.8	  1154.5	-10353.4	   666.6
-    110.9047	  1277.6	  1192.2	-10390.2	   666.7
-    110.9547	  1310.1	  1238.5	-10404.0	   666.9
-    111.0047	  1271.5	  1297.6	-10501.7	   667.1
-    111.0546	  1267.6	  1378.9	-10586.9	   667.2
-    111.1044	  1264.0	  1500.8	-10712.4	   667.4
-    111.1545	  1343.6	  1701.5	-10833.6	   667.5
-    111.2046	  1457.0	  2046.3	-11065.0	   667.7
-    111.2545	  1838.1	  2638.9	-11276.4	   667.8
-    111.3202	  3048.5	  4048.6	-11475.7	   668.0
-    111.3703	  5180.6	  5819.3	-11114.3	   668.2
-    111.4204	  8604.4	  8334.6	-10205.8	   668.3
-    111.4705	 13607.6	 11597.4	 -8465.4	   668.5
-    111.5204	 18938.4	 15397.0	 -6934.2	   668.6
-    111.5704	 23543.6	 19296.7	 -6228.7	   668.8
-    111.6205	 25711.6	 22629.0	 -7393.0	   669.0
-    111.6705	 26093.3	 24592.5	 -8974.8	   669.1
-    111.7205	 23976.3	 24591.0	-11090.4	   669.3
-    111.7704	 20585.1	 22636.2	-12526.7	   669.4
-    111.8204	 16993.2	 19309.6	-12792.0	   669.6
-    111.8705	 13883.6	 15399.8	-11991.8	   669.7
-    111.9204	 11034.3	 11606.8	-11048.1	   669.9
-    111.9704	  8938.6	  8347.1	 -9884.1	   670.0
-    112.0203	  6869.8	  5834.3	 -9440.2	   670.2
-    112.0703	  5417.5	  4064.3	 -9122.5	   670.3
-    112.1202	  4288.8	  2911.8	 -9098.6	   670.5
-    112.1701	  3280.6	  2208.2	 -9403.2	   670.6
-    112.2202	  2713.2	  1796.2	 -9558.6	   670.8
-    112.2701	  2157.6	  1554.9	 -9872.9	   671.0
-    112.3201	  1793.2	  1412.6	-10095.0	   671.1
-    112.3699	  1524.6	  1321.1	-10272.2	   671.3
-    112.4199	  1329.0	  1256.2	-10402.8	   671.4
-    112.4700	  1235.2	  1206.6	-10446.9	   671.6
-    112.5199	  1058.2	  1166.7	-10584.1	   671.7
-    112.5928	  1071.9	  1119.9	-10523.6	   671.9
-    112.6429	  1043.2	  1093.6	-10526.1	   672.1
-    112.6930	  1036.2	  1071.0	-10510.5	   672.3
-    112.7431	  1036.3	  1051.5	-10490.8	   672.4
-    112.7930	   996.1	  1034.5	-10514.0	   672.6
-    112.8430	  1020.0	  1019.6	-10475.2	   672.7
-    112.8931	  1026.2	  1006.4	-10455.9	   672.9
-    112.9431	   981.3	   994.8	-10489.1	   673.0
-    112.9931	  1002.1	   984.5	-10458.0	   673.2
-    113.0430	   975.0	   975.3	-10476.0	   673.3
-    113.0930	  1008.8	   967.1	-10433.9	   673.5
-    113.1431	   981.9	   959.7	-10453.5	   673.6
-    113.1930	   964.3	   953.1	-10464.3	   673.8
-    113.2430	  1004.6	   947.0	-10418.0	   673.9
-    113.2929	   967.2	   941.6	-10450.0	   674.1
-    113.3429	   957.5	   936.6	-10454.8	   674.2
-    113.3928	   947.3	   932.1	-10460.4	   674.4
-    113.4427	   933.7	   928.0	-10470.0	   674.6
-    113.4928	   964.8	   924.3	-10435.1	   674.7
-    113.5427	   974.7	   920.8	-10421.8	   674.9
-    113.5927	   985.8	   917.7	-10407.5	   675.0
-    113.6424	   975.3	   914.8	-10415.1	   675.2
-    113.6925	   954.8	   912.2	-10433.0	   675.3
-    113.7426	   930.5	   909.7	-10454.9	   675.5
-    113.7925	   971.0	   907.5	-10412.1	   675.6
-    113.8260	   888.0	   906.1	-10493.7	   675.7
-    113.8761	   965.3	   904.1	-10414.4	   675.9
-    113.9262	  1004.0	   902.3	-10374.0	   676.0
-    113.9763	   991.5	   900.6	-10384.7	   676.2
-    114.0262	  1043.7	   899.1	-10331.0	   676.3
-    114.0762	   950.5	   897.7	-10422.8	   676.5
-    114.1262	   948.3	   896.4	-10423.7	   676.6
-    114.1763	  1010.8	   895.2	-10360.1	   676.8
-    114.2263	   920.6	   894.1	-10449.1	   676.9
-    114.2762	   974.1	   893.2	-10394.7	   677.1
-    114.3262	  1031.8	   892.3	-10336.1	   677.3
-    114.3763	   930.4	   891.5	-10436.7	   677.4
-    114.4261	   944.5	   890.7	-10421.8	   677.6
-    114.4762	   941.9	   890.1	-10423.8	   677.7
-    114.5261	   999.1	   889.5	-10366.1	   677.9
-    114.5760	   991.4	   889.0	-10373.2	   678.0
-    114.6260	  1025.5	   888.6	-10338.7	   678.2
-    114.6759	   946.0	   888.2	-10417.8	   678.3
-    114.7260	   969.8	   888.0	-10393.8	   678.5
-    114.7759	   950.2	   887.8	-10413.1	   678.6
-    114.8259	   945.6	   887.7	-10417.6	   678.8
-    114.8756	   963.4	   887.6	-10399.8	   678.9
-    114.9257	   898.5	   887.7	-10464.8	   679.1
-    114.9758	   981.9	   887.8	-10381.5	   679.2
-    115.0257	   935.4	   888.0	-10428.2	   679.4
-    115.0633	   924.8	   888.2	-10439.0	   679.5
-    115.1134	   911.9	   888.7	-10452.4	   679.6
-    115.1635	   931.4	   889.2	-10433.4	   679.8
-    115.2136	   960.8	   889.8	-10404.7	   679.9
-    115.2636	   870.5	   890.7	-10495.7	   680.1
-    115.3135	   891.3	   891.6	-10475.9	   680.3
-    115.3636	   917.9	   892.8	-10450.5	   680.4
-    115.4136	   896.9	   894.2	-10472.9	   680.6
-    115.4637	   971.0	   895.8	-10400.5	   680.7
-    115.5135	   994.4	   897.8	-10379.0	   680.9
-    115.5635	   934.8	   900.1	-10440.9	   681.0
-    115.6136	   974.4	   902.9	-10404.1	   681.2
-    115.6635	   967.3	   906.2	-10414.5	   681.3
-    115.7135	  1047.5	   910.2	-10338.3	   681.5
-    115.7635	  1008.0	   915.1	-10382.7	   681.6
-    115.8134	   990.1	   921.5	-10407.0	   681.8
-    115.8633	  1049.3	   930.3	-10356.6	   681.9
-    115.9133	  1019.7	   943.7	-10399.6	   682.1
-    115.9633	   967.1	   965.6	-10474.1	   682.2
-    116.0133	  1048.1	  1003.3	-10430.9	   682.4
-    116.0632	  1094.9	  1068.5	-10449.3	   682.5
-    116.1130	  1139.9	  1176.9	-10512.7	   682.7
-    116.1631	  1421.8	  1347.9	-10401.8	   682.8
-    116.2131	  1761.5	  1595.6	-10309.8	   683.0
-    116.2630	  2223.0	  1921.6	-10174.2	   683.1
-    116.3137	  2537.7	  2314.0	-10252.0	   683.3
-    116.3638	  3021.6	  2716.9	-10171.0	   683.4
-    116.4138	  3380.1	  3060.9	-10156.4	   683.6
-    116.4640	  3232.0	  3258.2	-10501.8	   683.7
-    116.5139	  3163.9	  3243.9	-10555.6	   683.9
-    116.5639	  2780.3	  3024.0	-10719.3	   684.0
-    116.6139	  2451.4	  2667.9	-10692.1	   684.2
-    116.6640	  2195.8	  2263.7	-10543.5	   684.3
-    116.7140	  1901.9	  1874.7	-10448.4	   684.4
-    116.7639	  1652.4	  1557.4	-10380.6	   684.6
-    116.8139	  1429.7	  1318.8	-10364.8	   684.7
-    116.8640	  1347.5	  1155.6	-10283.7	   684.9
-    116.9138	  1253.1	  1052.8	-10275.3	   685.0
-    116.9639	  1147.6	   991.4	-10319.5	   685.2
-    117.0138	  1118.0	   956.1	-10313.7	   685.3
-    117.0637	  1077.7	   935.5	-10333.5	   685.5
-    117.1137	  1004.2	   922.9	-10394.4	   685.6
-    117.1636	   984.3	   914.5	-10405.8	   685.8
-    117.2137	   993.6	   908.3	-10390.3	   685.9
-    117.2636	   945.4	   903.5	-10433.7	   686.1
-    117.3136	   916.7	   899.6	-10458.6	   686.2
-    117.3633	   940.2	   896.4	-10431.8	   686.4
-    117.4134	   911.3	   893.7	-10458.0	   686.5
-    117.4635	   950.4	   891.4	-10416.7	   686.7
-    117.5134	   868.6	   889.5	-10496.5	   686.8
-    117.5488	   907.8	   888.3	-10456.1	   686.9
-    117.5989	   931.6	   886.8	-10430.8	   687.1
-    117.6490	   851.6	   885.5	-10509.5	   687.2
-    117.6991	   895.9	   884.4	-10464.1	   687.4
-    117.7490	   847.5	   883.5	-10511.6	   687.5
-    117.7990	   871.0	   882.7	-10487.4	   687.6
-    117.8491	   833.4	   882.0	-10524.3	   687.8
-    117.8991	   887.4	   881.4	-10469.6	   687.9
-    117.9492	   930.3	   880.9	-10426.2	   688.1
-    117.9990	   849.2	   880.5	-10507.0	   688.2
-    118.0490	   873.0	   880.2	-10482.8	   688.4
-    118.0991	   837.8	   879.9	-10517.7	   688.5
-    118.1490	   887.2	   879.7	-10468.1	   688.7
-    118.1990	   892.6	   879.5	-10462.5	   688.8
-    118.2489	   893.7	   879.4	-10461.4	   689.0
-    118.2989	   861.1	   879.3	-10493.8	   689.1
-    118.3488	   867.4	   879.3	-10487.4	   689.2
-    118.3988	   863.0	   879.2	-10491.8	   689.4
-    118.4488	   839.5	   879.3	-10515.4	   689.5
-    118.4988	   823.8	   879.3	-10531.1	   689.7
-    118.5487	   927.8	   879.4	-10427.3	   689.8
-    118.5985	   874.5	   879.6	-10480.7	   690.0
-    118.6486	   871.5	   879.7	-10483.9	   690.1
-    118.6986	   869.0	   879.9	-10486.5	   690.3
-    118.7485	   901.2	   880.1	-10454.6	   690.4
-    118.7947	   814.3	   880.4	-10541.7	   690.5
-    118.8448	   876.3	   880.6	-10479.9	   690.7
-    118.8949	   920.8	   880.9	-10435.8	   690.8
-    118.9450	   832.8	   881.3	-10524.0	   691.0
-    118.9949	   878.5	   881.6	-10478.7	   691.1
-    119.0449	   870.6	   882.0	-10487.0	   691.2
-    119.0950	   846.2	   882.4	-10511.9	   691.4
-    119.1450	   869.8	   882.9	-10488.8	   691.5
-    119.1950	   881.9	   883.4	-10477.1	   691.7
-    119.2449	   798.2	   883.9	-10561.4	   691.8
-    119.2949	   832.4	   884.5	-10527.7	   692.0
-    119.3450	   866.6	   885.1	-10494.1	   692.1
-    119.3949	   928.1	   885.8	-10433.3	   692.2
-    119.4449	   858.6	   886.5	-10503.5	   692.4
-    119.4949	   931.6	   887.3	-10431.3	   692.5
-    119.5448	   866.4	   888.1	-10497.4	   692.7
-    119.5947	   857.2	   889.0	-10507.4	   692.8
-    119.6447	   959.2	   890.0	-10406.4	   692.9
-    119.6947	   924.5	   891.0	-10442.1	   693.1
-    119.7447	   905.0	   892.1	-10462.7	   693.2
-    119.7946	   914.8	   893.4	-10454.1	   693.4
-    119.8444	   914.3	   894.7	-10456.0	   693.5
-    119.8944	   871.1	   896.1	-10500.7	   693.6
-    119.9445	   891.4	   897.7	-10481.9	   693.8
-    119.9944	   912.5	   899.5	-10462.6	   693.9
-    120.0467	   893.9	   901.5	-10483.2	   694.1
-    120.0967	   930.9	   903.6	-10448.3	   694.2
-    120.1468	   875.4	   906.0	-10506.2	   694.3
-    120.1969	   954.5	   908.6	-10429.8	   694.5
-    120.2469	   930.9	   911.5	-10456.3	   694.6
-    120.2968	   964.0	   914.8	-10426.4	   694.8
-    120.3469	   902.6	   918.5	-10491.5	   694.9
-    120.3969	   932.2	   922.7	-10466.1	   695.0
-    120.4470	   926.1	   927.4	-10477.0	   695.2
-    120.4968	   930.0	   932.8	-10478.4	   695.3
-    120.5469	  1011.8	   939.1	-10402.8	   695.4
-    120.5969	   950.8	   946.3	-10471.2	   695.6
-    120.6468	   948.5	   954.8	-10482.0	   695.7
-    120.6968	   955.2	   964.9	-10485.3	   695.9
-    120.7468	   955.8	   977.0	-10496.9	   696.0
-    120.7967	   907.8	   992.1	-10559.9	   696.1
-    120.8466	   981.3	  1011.8	-10506.1	   696.3
-    120.8966	   980.8	  1039.9	-10534.8	   696.4
-    120.9466	   967.6	  1083.5	-10591.6	   696.5
-    120.9966	   975.2	  1156.2	-10656.7	   696.7
-    121.0465	  1088.1	  1281.1	-10668.6	   696.8
-    121.0963	  1242.1	  1491.0	-10724.6	   696.9
-    121.1464	  1604.6	  1830.9	-10702.0	   697.1
-    121.1965	  2139.2	  2340.2	-10676.7	   697.2
-    121.2464	  3100.9	  3037.5	-10412.2	   697.3
-    121.2985	  4296.0	  3944.8	-10124.4	   697.5
-    121.3486	  5522.1	  4901.1	 -9854.7	   697.6
-    121.3987	  6304.5	  5786.1	 -9957.3	   697.8
-    121.4488	  6355.9	  6392.4	-10512.2	   697.9
-    121.4987	  5992.3	  6526.1	-11009.4	   698.0
-    121.5487	  5277.5	  6140.1	-11338.3	   698.2
-    121.5987	  4691.1	  5368.0	-11152.6	   698.3
-    121.6488	  3836.0	  4424.9	-11064.5	   698.4
-    121.6988	  3282.0	  3494.8	-10688.5	   698.6
-    121.7487	  2772.1	  2700.2	-10403.7	   698.7
-    121.7987	  2337.8	  2087.6	-10225.5	   698.8
-    121.8488	  2033.3	  1668.5	-10110.8	   698.9
-    121.8987	  1736.6	  1393.7	-10132.7	   699.1
-    121.9487	  1539.5	  1227.0	-10163.1	   699.2
-    121.9986	  1433.9	  1129.8	-10171.5	   699.3
-    122.0486	  1283.2	  1073.0	-10265.5	   699.5
-    122.0985	  1115.4	  1038.2	-10398.4	   699.6
-    122.1484	  1084.5	  1014.9	-10406.0	   699.7
-    122.1985	   974.3	   998.0	-10499.4	   699.9
-    122.2484	   920.1	   984.9	-10540.4	   700.0
-    122.2984	   966.0	   974.3	-10484.0	   700.1
-    122.3482	   864.9	   965.5	-10576.3	   700.3
-    122.3982	   901.5	   958.1	-10532.3	   700.4
-    122.4483	   904.2	   951.8	-10523.2	   700.5
-    122.4982	   875.8	   946.5	-10546.3	   700.6
-    122.5538	   914.5	   941.4	-10502.6	   700.8
-    122.6039	   827.0	   937.6	-10586.1	   700.9
-    122.6540	   855.8	   934.2	-10554.0	   701.0
-    122.7041	   895.0	   931.3	-10511.9	   701.2
-    122.7541	   834.9	   928.8	-10569.5	   701.3
-    122.8040	   867.0	   926.6	-10535.2	   701.4
-    122.8541	   860.7	   924.8	-10539.7	   701.6
-    122.9041	   826.4	   923.1	-10572.3	   701.7
-    122.9542	   861.0	   921.7	-10536.4	   701.8
-    123.0040	   885.0	   920.5	-10511.2	   701.9
-    123.0540	   895.7	   921.6	-10501.6	   702.1
-    123.1041	   842.7	   920.8	-10553.7	   702.2
-    123.1540	   808.8	   920.1	-10586.8	   702.3
-    123.2040	   839.3	   919.5	-10555.8	   702.4
-    123.2540	   878.2	   919.0	-10516.4	   702.6
-    123.3039	   871.7	   918.6	-10522.6	   702.7
-    123.3538	   879.4	   918.4	-10514.6	   702.8
-    123.4038	   894.4	   918.2	-10499.5	   702.9
-    123.4538	   891.9	   918.1	-10501.9	   703.1
-    123.5038	   851.4	   918.2	-10542.4	   703.2
-    123.5537	   856.8	   918.2	-10537.1	   703.3
-    123.6035	   877.3	   918.4	-10516.7	   703.4
-    123.6536	   851.5	   918.7	-10542.8	   703.5
-    123.7036	   891.7	   919.0	-10502.9	   703.7
-    123.7535	   863.3	   919.4	-10531.7	   703.8
-    123.7997	   930.0	   919.8	-10465.4	   703.9
-    123.8498	   911.8	   920.3	-10484.2	   704.0
-    123.8999	   837.0	   921.0	-10559.5	   704.2
-    123.9500	   871.1	   921.6	-10526.2	   704.3
-    124.0000	   933.6	   922.4	-10464.4	   704.4
-    124.0499	   841.0	   923.2	-10557.8	   704.5
-    124.1000	   880.5	   924.2	-10519.3	   704.6
-    124.1500	   874.5	   925.2	-10526.3	   704.8
-    124.2001	   883.0	   926.3	-10518.9	   704.9
-    124.2499	   902.1	   927.4	-10500.9	   705.0
-    124.2999	   907.4	   928.7	-10496.9	   705.1
-    124.3500	   868.7	   930.1	-10537.0	   705.2
-    124.3999	   881.6	   931.6	-10525.6	   705.4
-    124.4499	   880.8	   933.2	-10528.0	   705.5
-    124.4999	   874.0	   934.9	-10536.5	   705.6
-    124.5498	   853.4	   936.8	-10559.0	   705.7
-    124.5997	   938.0	   938.8	-10476.4	   705.8
-    124.6497	   869.3	   940.9	-10547.3	   705.9
-    124.6997	   894.5	   943.3	-10524.4	   706.1
-    124.7497	   885.0	   945.8	-10536.5	   706.2
-    124.7996	   837.8	   948.5	-10586.3	   706.3
-    124.8494	   946.1	   951.5	-10481.0	   706.4
-    124.8995	   899.3	   954.6	-10530.9	   706.5
-    124.9495	   914.3	   958.1	-10519.4	   706.6
-    124.9994	   887.3	   961.9	-10550.2	   706.8
-    125.0366	   950.7	   964.9	-10489.8	   706.8
-    125.0867	   890.1	   969.2	-10554.8	   707.0
-    125.1368	   926.9	   974.0	-10522.7	   707.1
-    125.1869	   954.0	   979.3	-10500.9	   707.2
-    125.2368	   947.3	   985.0	-10513.3	   707.3
-    125.2868	  1019.5	   991.3	-10447.4	   707.4
-    125.3369	   970.6	   998.3	-10503.3	   707.5
-    125.3869	  1074.7	  1006.0	-10406.9	   707.6
-    125.4370	  1080.5	  1014.6	-10409.7	   707.7
-    125.4868	  1064.6	  1024.1	-10435.1	   707.9
-    125.5368	  1011.8	  1034.8	-10498.6	   708.0
-    125.5869	  1085.2	  1046.9	-10437.3	   708.1
-    125.6368	  1182.3	  1060.4	-10353.8	   708.2
-    125.6868	  1041.6	  1075.8	-10509.9	   708.3
-    125.7368	  1227.7	  1093.4	-10341.3	   708.4
-    125.7867	  1230.9	  1113.6	-10358.3	   708.5
-    125.8366	  1265.0	  1136.8	-10347.5	   708.6
-    125.8866	  1255.0	  1163.9	-10384.5	   708.7
-    125.9366	  1374.6	  1195.7	-10296.7	   708.9
-    125.9866	  1323.1	  1233.4	-10386.0	   709.0
-    126.0365	  1345.9	  1279.4	-10409.1	   709.1
-    126.0863	  1351.5	  1337.1	-10461.3	   709.2
-    126.1364	  1428.2	  1415.0	-10462.5	   709.3
-    126.1864	  1350.1	  1527.9	-10653.4	   709.4
-    126.2363	  1413.6	  1704.4	-10766.4	   709.5
-    126.2810	  1474.6	  1958.1	-10959.1	   709.6
-    126.3311	  1663.5	  2420.4	-11232.6	   709.7
-    126.3812	  2298.5	  3182.9	-11360.0	   709.8
-    126.4313	  3720.6	  4374.6	-11129.6	   709.9
-    126.4812	  6158.5	  6105.1	-10422.2	   710.0
-    126.5312	  9434.0	  8424.7	 -9466.4	   710.1
-    126.5813	 13022.8	 11256.7	 -8709.5	   710.2
-    126.6313	 16151.8	 14334.2	 -8658.1	   710.3
-    126.6814	 18042.5	 17191.1	 -9624.3	   710.4
-    126.7312	 18859.3	 19188.1	-10804.5	   710.5
-    126.7812	 18146.3	 19739.3	-12068.6	   710.6
-    126.8313	 16165.3	 18638.6	-12949.0	   710.7
-    126.8812	 13924.1	 16272.8	-12824.3	   710.9
-    126.9312	 11462.8	 13277.4	-12290.2	   711.0
-    126.9812	  9516.2	 10251.8	-11211.2	   711.1
-    127.0311	  7799.9	  7579.7	-10255.4	   711.2
-    127.0810	  6361.9	  5459.7	 -9573.4	   711.3
-    127.1310	  5300.0	  3923.2	 -9098.9	   711.4
-    127.1810	  4400.5	  2892.2	 -8967.4	   711.5
-    127.2310	  3540.5	  2244.8	 -9179.9	   711.6
-    127.2809	  2981.0	  1854.7	 -9349.4	   711.7
-    127.3307	  2502.4	  1622.1	 -9595.3	   711.8
-    127.3808	  2070.8	  1477.9	 -9882.8	   711.9
-    127.4308	  1760.1	  1383.2	-10098.8	   712.0
-    127.4807	  1433.3	  1315.8	-10358.1	   712.1
-    127.5462	  1280.4	  1250.1	-10445.3	   712.2
-    127.5963	  1163.2	  1210.7	-10523.1	   712.3
-    127.6463	  1115.8	  1177.8	-10537.6	   712.4
-    127.6964	  1048.7	  1149.8	-10576.7	   712.5
-    127.7464	  1026.8	  1126.0	-10574.8	   712.6
-    127.7964	   874.1	  1105.4	-10706.9	   712.7
-    127.8464	  1001.4	  1087.4	-10561.7	   712.8
-    127.8965	   895.1	  1071.8	-10652.4	   712.9
-    127.9465	   929.9	  1058.1	-10603.8	   713.0
-    127.9964	   906.3	  1046.0	-10615.3	   713.0
-    128.0464	   945.1	  1035.3	-10565.8	   713.1
-    128.0965	   911.3	  1025.7	-10590.0	   713.2
-    128.1463	   860.6	  1017.2	-10632.2	   713.3
-    128.1964	   900.3	  1009.6	-10584.9	   713.4
-    128.2463	   949.6	  1002.7	-10528.7	   713.5
-    128.2962	   866.7	   996.6	-10605.4	   713.6
-    128.3461	   874.7	   991.0	-10591.9	   713.7
-    128.3961	   928.1	   985.9	-10533.5	   713.8
-    128.4462	   893.3	   981.3	-10563.7	   713.9
-    128.4961	   906.2	   977.2	-10546.6	   714.0
-    128.5461	   935.4	   973.4	-10513.6	   714.1
-    128.5958	   861.0	   970.0	-10584.6	   714.1
-    128.6459	   888.1	   966.8	-10554.3	   714.2
-    128.6960	   913.3	   963.9	-10526.3	   714.3
-    128.7459	   912.0	   961.3	-10524.9	   714.4
-    128.8231	   931.6	   957.6	-10501.7	   714.5
-    128.8732	   913.7	   955.5	-10517.5	   714.6
-    128.9233	   817.4	   953.6	-10611.8	   714.7
-    128.9734	   971.7	   951.9	-10455.7	   714.8
-    129.0233	   939.5	   950.3	-10486.4	   714.9
-    129.0733	   886.4	   948.8	-10538.0	   715.0
-    129.1234	   897.3	   947.5	-10525.8	   715.1
-    129.1734	   895.3	   946.3	-10526.6	   715.2
-    129.2234	   928.1	   945.2	-10492.7	   715.2
-    129.2733	   873.7	   944.2	-10546.2	   715.3
-    129.3233	   880.1	   943.3	-10538.9	   715.4
-    129.3734	   948.3	   942.6	-10469.9	   715.5
-    129.4233	   912.4	   941.9	-10505.1	   715.6
-    129.4733	   837.0	   941.3	-10579.9	   715.7
-    129.5232	   868.9	   940.8	-10547.5	   715.7
-    129.5732	   932.5	   940.4	-10483.5	   715.8
-    129.6231	   983.7	   940.0	-10432.0	   715.9
-    129.6730	   914.5	   939.8	-10500.8	   716.0
-    129.7231	   931.3	   939.6	-10483.9	   716.1
-    129.7731	   937.8	   939.5	-10477.3	   716.1
-    129.8230	   887.2	   939.5	-10527.9	   716.2
-    129.8728	   992.2	   939.5	-10422.9	   716.3
-    129.9229	   885.8	   939.6	-10529.5	   716.4
-    129.9729	  1027.9	   939.9	-10387.6	   716.4
-    130.0228	   906.8	   940.2	-10508.9	   716.5
-    130.0728	   937.9	   940.5	-10478.3	   716.6
-    130.1230	   949.5	   941.0	-10467.1	   716.7
-    130.1730	  1005.9	   941.6	-10411.3	   716.8
-    130.2231	   928.8	   942.2	-10489.1	   716.8
-    130.2731	   936.7	   943.0	-10481.9	   716.9
-    130.3230	   948.3	   943.8	-10471.1	   717.0
-    130.3731	   991.0	   944.8	-10429.4	   717.1
-    130.4231	   896.4	   945.9	-10525.1	   717.1
-    130.4732	   952.0	   947.1	-10470.8	   717.2
-    130.5230	   913.0	   948.5	-10511.1	   717.3
-    130.5730	   933.2	   950.0	-10492.4	   717.3
-    130.6231	   924.3	   951.7	-10503.0	   717.4
-    130.6730	   921.3	   953.6	-10507.9	   717.5
-    130.7230	   917.8	   955.6	-10513.5	   717.6
-    130.7730	   947.5	   957.9	-10486.1	   717.6
-    130.8229	   890.4	   960.5	-10545.7	   717.7
-    130.8728	   887.3	   963.3	-10551.6	   717.8
-    130.9228	   904.8	   966.4	-10537.2	   717.8
-    130.9728	   927.7	   969.9	-10517.7	   717.9
-    131.0228	   919.6	   973.7	-10529.8	   718.0
-    131.0727	   891.3	   978.0	-10562.3	   718.0
-    131.1225	   983.0	   982.8	-10475.4	   718.1
-    131.1726	   945.8	   988.2	-10518.0	   718.2
-    131.2227	   902.7	   994.2	-10567.1	   718.2
-    131.2726	   989.3	  1001.0	-10487.3	   718.3
-    131.3048	   993.8	  1005.9	-10487.8	   718.4
-    131.3549	   976.3	  1014.3	-10513.7	   718.4
-    131.4050	   932.5	  1024.0	-10567.1	   718.5
-    131.4551	   977.5	  1035.0	-10533.1	   718.5
-    131.5051	  1050.8	  1047.7	-10472.5	   718.6
-    131.5550	   952.2	  1062.5	-10585.9	   718.7
-    131.6051	  1072.6	  1079.9	-10483.0	   718.7
-    131.6551	  1021.8	  1101.0	-10554.8	   718.8
-    131.7052	  1081.2	  1127.3	-10521.7	   718.9
-    131.7550	  1059.5	  1152.6	-10568.7	   718.9
-    131.8051	  1089.9	  1201.1	-10586.8	   719.0
-    131.8551	  1064.8	  1273.8	-10684.6	   719.0
-    131.9050	  1105.0	  1386.9	-10757.6	   719.1
-    131.9550	  1199.1	  1567.8	-10844.4	   719.2
-    132.0050	  1363.9	  1852.6	-10964.4	   719.2
-    132.0549	  1909.1	  2286.1	-10852.6	   719.3
-    132.1048	  2815.1	  2913.6	-10574.2	   719.3
-    132.1548	  4072.0	  3767.0	-10170.7	   719.4
-    132.2048	  5512.8	  4850.6	 -9813.4	   719.4
-    132.2548	  7280.4	  6113.6	 -9308.8	   719.5
-    132.3047	  8354.4	  7447.3	 -9568.5	   719.6
-    132.3545	  9298.7	  8676.8	 -9853.7	   719.6
-    132.4046	  9297.7	  9585.8	-10763.7	   719.7
-    132.4547	  9114.9	  9942.4	-11303.1	   719.7
-    132.5045	  8748.4	  9644.3	-11371.5	   719.8
-    132.5526	  8082.7	  8821.4	-11214.3	   719.8
-    132.6027	  6827.0	  7612.8	-11261.4	   719.9
-    132.6528	  5870.8	  6277.7	-10882.6	   719.9
-    132.7029	  4872.4	  4995.8	-10599.1	   720.0
-    132.7528	  4313.8	  3889.3	-10051.2	   720.0
-    132.8028	  3623.3	  3006.3	 -9858.6	   720.1
-    132.8528	  3109.8	  2351.3	 -9717.1	   720.1
-    132.9029	  2798.6	  1896.0	 -9573.1	   720.2
-    132.9529	  2312.3	  1595.8	 -9759.2	   720.2
-    133.0028	  2077.6	  1405.5	 -9803.6	   720.3
-    133.0528	  1859.2	  1285.9	 -9902.4	   720.3
-    133.1029	  1712.7	  1209.7	 -9972.6	   720.4
-    133.1528	  1532.1	  1159.3	-10102.8	   720.4
-    133.2028	  1271.2	  1123.4	-10327.9	   720.5
-    133.2527	  1203.4	  1096.4	-10368.6	   720.5
-    133.3027	  1156.1	  1074.8	-10394.2	   720.6
-    133.3526	  1127.2	  1056.9	-10405.3	   720.6
-    133.4025	   922.2	  1041.7	-10595.2	   720.6
-    133.4526	  1012.1	  1028.7	-10492.2	   720.7
-    133.5025	   980.2	  1017.4	-10512.8	   720.7
-    133.5525	   978.4	  1007.5	-10504.7	   720.8
-    133.6022	   949.3	   998.9	-10525.3	   720.8
-    133.6523	   905.9	   991.3	-10561.0	   720.9
-    133.7024	   986.5	   984.5	-10473.7	   720.9
-    133.7523	   962.0	   978.5	-10492.1	   720.9
-    133.8196	   921.1	   971.4	-10525.9	   721.0
-    133.8697	   970.7	   966.7	-10471.6	   721.0
-    133.9198	   926.0	   962.5	-10512.1	   721.1
-    133.9699	   911.1	   958.7	-10523.2	   721.1
-    134.0198	   983.4	   955.2	-10447.5	   721.1
-    134.0698	   915.5	   952.1	-10512.2	   721.2
-    134.1198	   988.3	   949.2	-10436.5	   721.2
-    134.1699	   949.6	   946.6	-10472.6	   721.2
-    134.2199	   964.8	   944.2	-10455.0	   721.3
-    134.2698	   959.5	   942.0	-10458.1	   721.3
-    134.3198	   910.5	   940.0	-10505.1	   721.3
-    134.3699	   913.4	   938.1	-10500.3	   721.4
-    134.4198	   929.6	   936.4	-10482.3	   721.4
-    134.4698	   978.0	   934.7	-10432.4	   721.4
-    134.5197	   879.3	   933.3	-10529.6	   721.5
-    134.5697	   909.9	   931.9	-10497.6	   721.5
-    134.6196	   958.0	   930.6	-10448.2	   721.5
-    134.6695	   999.9	   929.4	-10405.1	   721.6
-    134.7196	   916.3	   928.3	-10487.6	   721.6
-    134.7695	   978.4	   927.2	-10424.4	   721.6
-    134.8195	   969.8	   926.2	-10432.0	   721.6
-    134.8692	   931.0	   925.3	-10470.0	   721.7
-    134.9193	   892.3	   924.5	-10507.8	   721.7
-    134.9694	   878.0	   923.6	-10521.3	   721.7
-    135.0193	   894.3	   922.9	-10504.2	   721.7
-    135.0676	   937.1	   922.2	-10460.7	   721.8
-    135.1177	   896.7	   921.5	-10500.4	   721.8
-    135.1678	   970.0	   920.9	-10426.5	   721.8
-    135.2179	   931.2	   920.3	-10464.7	   721.8
-    135.2679	   916.6	   919.7	-10478.7	   721.9
-    135.3178	   888.9	   919.1	-10505.9	   721.9
-    135.3679	   965.5	   918.6	-10428.8	   721.9
-    135.4179	   905.2	   918.1	-10488.6	   721.9
-    135.4680	   919.0	   917.7	-10474.3	   721.9
-    135.5178	   939.7	   917.2	-10453.2	   722.0
-    135.5678	   866.2	   916.8	-10526.2	   722.0
-    135.6179	   898.1	   916.4	-10493.9	   722.0
-    135.6678	   947.7	   916.1	-10444.0	   722.0
-    135.7178	   939.1	   915.7	-10452.2	   722.0
-    135.7678	   924.9	   915.4	-10466.0	   722.0
-    135.8177	   967.2	   915.0	-10423.5	   722.1
-    135.8676	  1011.1	   914.7	-10379.3	   722.1
-    135.9176	   941.5	   914.4	-10448.6	   722.1
-    135.9676	   969.4	   914.1	-10420.3	   722.1
-    136.0176	   941.8	   913.9	-10447.7	   722.1
-    136.0675	   895.2	   913.6	-10494.0	   722.1
-    136.1173	   896.7	   913.3	-10492.3	   722.1
-    136.1674	   902.3	   913.1	-10486.4	   722.2
-    136.2174	   912.3	   912.9	-10476.2	   722.2
-    136.2673	   978.6	   912.7	-10409.6	   722.2
-    136.3030	   941.2	   912.5	-10447.0	   722.2
-    136.3531	   981.0	   912.3	-10406.9	   722.2
-    136.4032	   989.3	   912.1	-10398.4	   722.2
-    136.4533	   925.5	   911.9	-10462.0	   722.2
-    136.5032	   970.1	   911.7	-10417.3	   722.2
-    136.5532	   928.5	   911.5	-10458.6	   722.2
-    136.6033	   902.1	   911.4	-10484.9	   722.2
-    136.6533	   907.5	   911.2	-10479.3	   722.2
-    136.7034	   902.7	   911.0	-10484.0	   722.2
-    136.7532	   893.2	   910.9	-10493.3	   722.2
-    136.8032	   915.9	   910.7	-10470.5	   722.2
-    136.8533	   927.9	   911.4	-10459.0	   722.2
-    136.9032	   926.1	   911.2	-10460.7	   722.2
-    136.9532	   954.2	   911.1	-10432.5	   722.2
-    137.0031	   940.5	   911.0	-10446.1	   722.2
-    137.0531	   950.9	   910.9	-10435.6	   722.2
-    137.1030	   941.5	   910.7	-10444.9	   722.2
-    137.1530	   899.7	   910.6	-10486.6	   722.2
-    137.2030	   939.1	   910.5	-10447.1	   722.2
-    137.2530	   923.7	   910.4	-10462.4	   722.2
-    137.3029	   949.4	   910.3	-10436.6	   722.2
-    137.3527	   951.5	   910.2	-10434.4	   722.2
-    137.4028	   944.9	   910.1	-10440.9	   722.2
-    137.4528	   874.3	   910.1	-10511.4	   722.2
-    137.5027	   890.1	   910.0	-10495.5	   722.2
-    137.5408	   903.2	   909.9	-10482.3	   722.2
-    137.5909	   923.8	   909.8	-10461.7	   722.2
-    137.6410	   895.2	   909.7	-10490.2	   722.2
-    137.6911	   963.7	   909.7	-10421.6	   722.2
-    137.7410	   931.9	   909.6	-10453.3	   722.1
-    137.7910	   914.9	   909.5	-10470.3	   722.1
-    137.8411	   912.0	   909.4	-10473.1	   722.1
-    137.8911	   943.1	   909.4	-10441.9	   722.1
-    137.9411	   947.9	   909.3	-10437.0	   722.1
-    137.9910	   929.9	   904.9	-10450.6	   722.1
-    138.0410	   935.5	   904.9	-10445.0	   722.1
-    138.0911	   985.1	   904.9	-10395.5	   722.1
-    138.1410	   914.8	   904.9	-10465.8	   722.0
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-    138.2410	   898.7	   905.0	-10481.9	   722.0
-    138.2909	   909.5	   905.0	-10471.1	   722.0
-    138.3408	   995.6	   905.0	-10385.1	   722.0
-    138.3907	   906.9	   905.0	-10473.7	   721.9
-    138.4408	   925.8	   905.0	-10454.9	   721.9
-    138.4908	   961.6	   905.0	-10419.0	   721.9
-    138.5407	   979.3	   905.0	-10401.3	   721.9
-    138.5905	   930.7	   905.0	-10450.0	   721.9
-    138.6405	   974.4	   905.0	-10406.2	   721.8
-    138.6906	   950.1	   905.1	-10430.5	   721.8
-    138.7405	   937.0	   905.1	-10443.7	   721.8
-    138.7874	   952.7	   905.1	-10428.0	   721.8
-    138.8376	   905.7	   905.1	-10475.0	   721.7
-    138.8876	   926.1	   905.1	-10454.6	   721.7
-    138.9377	   886.2	   905.1	-10494.5	   721.7
-    138.9877	   906.8	   905.1	-10473.9	   721.7
-    139.0376	   888.4	   905.1	-10492.3	   721.6
-    139.0877	   965.5	   905.1	-10415.2	   721.6
-    139.1378	   914.4	   905.1	-10466.3	   721.6
-    139.1878	   934.4	   905.1	-10446.3	   721.5
-    139.2376	   896.5	   905.1	-10484.2	   721.5
-    139.2877	   950.1	   905.1	-10430.7	   721.5
-    139.3377	   975.4	   905.1	-10405.3	   721.4
-    139.3876	   932.7	   905.1	-10448.0	   721.4
-    139.4376	   953.6	   905.1	-10427.2	   721.4
-    139.4876	   944.3	   905.1	-10436.4	   721.3
-    139.5375	   944.7	   905.1	-10436.0	   721.3
-    139.5874	   926.7	   905.2	-10454.1	   721.3
-    139.6374	   970.5	   905.2	-10410.2	   721.2
-    139.6874	   929.6	   905.2	-10451.2	   721.2
-    139.7374	  1019.9	   905.2	-10360.9	   721.1
-    139.7873	   926.7	   905.2	-10454.1	   721.1
-    139.8371	   942.8	   905.2	-10438.0	   721.1
-    139.8872	   960.9	   905.2	-10419.9	   721.0
-    139.9373	   997.2	   905.2	-10383.6	   721.0
-    139.9872	   906.9	   905.2	-10473.9	   720.9
-    140.0594	   947.3	   905.2	-10433.5	   720.9
-    140.1095	   939.8	   905.2	-10441.1	   720.8
-    140.1596	   910.2	   907.5	-10472.9	   720.8
-    140.2097	   890.0	   907.5	-10493.1	   720.7
-    140.2596	  1017.7	   907.5	-10365.4	   720.7
-    140.3096	   967.7	   907.6	-10415.5	   720.6
-    140.3596	   924.7	   907.6	-10458.5	   720.6
-    140.4097	   934.4	   907.6	-10448.8	   720.5
-    140.4597	   923.5	   907.6	-10459.8	   720.5
-    140.5096	   981.6	   907.6	-10401.7	   720.4
-    140.5596	   901.9	   907.7	-10481.4	   720.4
-    140.6097	   974.8	   907.7	-10408.5	   720.3
-    140.6596	   954.7	   907.7	-10428.6	   720.3
-    140.7096	   934.6	   907.7	-10448.8	   720.2
-    140.7595	   906.0	   907.8	-10477.3	   720.2
-    140.8095	   905.5	   907.8	-10477.9	   720.1
-    140.8594	   888.3	   907.8	-10495.1	   720.0
-    140.9093	   898.7	   907.8	-10484.8	   720.0
-    140.9594	   948.9	   907.9	-10434.6	   719.9
-    141.0093	   952.1	   907.9	-10431.4	   719.9
-    141.0593	   899.6	   907.9	-10483.9	   719.8
-    141.1091	   915.6	   908.0	-10468.0	   719.8
-    141.1591	   967.0	   908.0	-10416.7	   719.7
-    141.2092	   900.6	   908.0	-10483.1	   719.6
-    141.2591	   861.7	   908.1	-10522.0	   719.6
-    141.3085	   896.1	   908.1	-10487.7	   719.5
-    141.3586	   937.9	   908.1	-10445.8	   719.4
-    141.4087	   903.0	   908.2	-10480.8	   719.4
-    141.4588	   901.3	   908.2	-10482.5	   719.3
-    141.5088	   924.1	   908.3	-10459.8	   719.2
-    141.5587	   918.3	   908.3	-10465.7	   719.2
-    141.6088	   934.8	   908.4	-10449.2	   719.1
-    141.6588	   913.7	   908.4	-10470.4	   719.0
-    141.7089	   945.7	   908.5	-10438.4	   719.0
-    141.7587	   883.4	   908.5	-10500.7	   718.9
-    141.8087	   923.6	   908.6	-10460.6	   718.8
-    141.8588	   955.2	   908.6	-10429.1	   718.7
-    141.9087	   878.3	   908.7	-10506.0	   718.7
-    141.9587	   871.0	   908.8	-10513.3	   718.6
-    142.0087	   914.7	   908.8	-10469.8	   718.5
-    142.0586	   952.5	   908.9	-10432.1	   718.4
-    142.1085	   880.3	   909.0	-10504.3	   718.4
-    142.1585	   976.1	   909.1	-10408.6	   718.3
-    142.2085	   961.0	   909.2	-10423.7	   718.2
-    142.2585	   973.4	   909.2	-10411.5	   718.1
-    142.3084	   918.7	   909.3	-10466.2	   718.0
-    142.3582	   975.5	   909.4	-10409.6	   718.0
-    142.4083	   920.5	   909.5	-10464.6	   717.9
-    142.4583	   969.9	   909.6	-10415.4	   717.8
-    142.5082	   986.8	   909.8	-10398.6	   717.7
-    142.5443	   908.1	   909.8	-10477.4	   717.6
-    142.5944	   969.6	   910.0	-10416.0	   717.5
-    142.6445	   955.5	   910.1	-10430.2	   717.5
-    142.6946	   953.1	   910.2	-10432.7	   717.4
-    142.7446	   976.5	   910.4	-10409.5	   717.3
-    142.7945	  1024.9	   910.6	-10361.3	   717.2
-    142.8446	   962.4	   910.7	-10424.0	   717.1
-    142.8946	   877.2	   910.9	-10509.3	   717.0
-    142.9447	   963.4	   911.1	-10423.3	   716.9
-    142.9945	   947.2	   911.3	-10439.7	   716.8
-    143.0445	   969.7	   911.5	-10417.4	   716.7
-    143.0946	   901.7	   911.7	-10485.7	   716.6
-    143.1445	   911.7	   911.9	-10475.8	   716.5
-    143.1945	   957.3	   912.2	-10430.6	   716.4
-    143.2445	   910.2	   912.4	-10477.9	   716.3
-    143.2944	   972.2	   912.7	-10416.2	   716.2
-    143.3443	   909.7	   913.0	-10479.0	   716.1
-    143.3943	   914.6	   913.3	-10474.4	   716.0
-    143.4443	   829.8	   913.7	-10559.5	   715.9
-    143.4943	   875.7	   914.1	-10514.0	   715.8
-    143.5442	   914.7	   914.4	-10475.3	   715.7
-    143.5940	   958.4	   914.9	-10432.1	   715.6
-    143.6441	   970.8	   915.3	-10420.2	   715.5
-    143.6941	   869.8	   915.8	-10521.6	   715.4
-    143.7440	   932.0	   916.3	-10459.9	   715.3
-    143.7924	   840.8	   916.8	-10551.6	   715.2
-    143.8425	   880.8	   917.4	-10512.3	   715.1
-    143.8925	   902.5	   918.0	-10491.2	   715.0
-    143.9427	   936.7	   918.7	-10457.6	   714.9
-    143.9926	   905.2	   919.5	-10489.9	   714.8
-    144.0426	   964.2	   920.3	-10431.7	   714.7
-    144.0926	   869.8	   921.1	-10527.0	   714.5
-    144.1427	   907.5	   922.1	-10490.2	   714.4
-    144.1927	   895.6	   923.1	-10503.1	   714.3
-    144.2426	   867.8	   924.2	-10532.1	   714.2
-    144.2926	   905.1	   925.4	-10496.0	   714.1
-    144.3427	   936.7	   926.8	-10465.7	   714.0
-    144.3925	   900.2	   928.3	-10503.6	   713.9
-    144.4426	   861.1	   929.9	-10544.4	   713.7
-    144.4925	   946.2	   931.7	-10461.2	   713.6
-    144.5424	   872.5	   933.7	-10536.8	   713.5
-    144.5924	   934.4	   936.0	-10477.3	   713.4
-    144.6423	   937.3	   938.7	-10477.0	   713.2
-    144.6924	   907.7	   941.9	-10509.8	   713.1
-    144.7423	   933.8	   945.8	-10487.7	   713.0
-    144.7923	   959.2	   950.6	-10467.0	   712.9
-    144.8420	  1018.0	   956.8	-10414.4	   712.7
-    144.8921	   913.5	   965.0	-10527.1	   712.6
-    144.9422	   952.8	   975.9	-10498.7	   712.5
-    144.9921	   941.5	   990.5	-10524.6	   712.4
-    145.0550	  1013.2	  1016.3	-10478.7	   712.2
-    145.1051	   920.9	  1044.9	-10599.6	   712.1
-    145.1551	  1047.9	  1082.8	-10510.5	   711.9
-    145.2052	  1051.4	  1132.0	-10556.2	   711.8
-    145.2552	  1100.7	  1194.8	-10569.7	   711.7
-    145.3052	  1197.8	  1273.1	-10550.9	   711.5
-    145.3552	  1429.0	  1368.7	-10415.3	   711.4
-    145.4053	  1547.8	  1482.1	-10409.9	   711.2
-    145.4553	  1699.7	  1612.9	-10388.8	   711.1
-    145.5052	  1898.0	  1758.8	-10336.4	   711.0
-    145.5552	  2124.8	  1917.3	-10268.1	   710.8
-    145.6053	  2189.8	  2082.7	-10368.5	   710.7
-    145.6551	  2310.7	  2247.4	-10412.4	   710.5
-    145.7052	  2478.2	  2403.7	-10401.1	   710.4
-    145.7551	  2515.6	  2540.9	-10500.9	   710.2
-    145.8050	  2732.3	  2648.7	-10392.0	   710.1
-    145.8550	  2677.4	  2717.3	-10515.5	   709.9
-    145.9049	  2798.4	  2739.7	-10417.0	   709.8
-    145.9550	  2812.6	  2713.4	-10376.4	   709.7
-    146.0049	  2501.9	  2641.3	-10615.0	   709.5
-    146.0549	  2342.2	  2530.7	-10664.1	   709.4
-    146.1046	  2358.1	  2392.0	-10509.6	   709.2
-    146.1547	  2123.7	  2234.5	-10586.4	   709.0
-    146.2048	  1970.2	  2068.8	-10574.2	   708.9
-    146.2547	  1818.2	  1904.2	-10561.7	   708.7
-    146.3043	  1641.4	  1747.5	-10581.8	   708.6
-    146.3544	  1577.8	  1601.8	-10499.7	   708.4
-    146.4045	  1515.6	  1472.1	-10432.1	   708.3
-    146.4546	  1360.2	  1359.8	-10475.2	   708.1
-    146.5045	  1369.0	  1265.7	-10372.3	   707.9
-    146.5545	  1285.4	  1188.5	-10378.7	   707.8
-    146.6046	  1200.3	  1126.6	-10401.9	   707.6
-    146.6546	  1148.9	  1078.3	-10405.0	   707.5
-    146.7047	  1215.7	  1041.1	-10301.0	   707.3
-    146.7545	  1140.0	  1013.2	-10348.8	   707.1
-    146.8045	  1032.8	   992.2	-10435.0	   707.0
-    146.8546	   985.5	   976.6	-10466.8	   706.8
-    146.9045	   997.2	   965.1	-10443.5	   706.6
-    146.9545	   970.1	   956.4	-10462.0	   706.5
-    147.0045	  1017.1	   949.8	-10408.4	   706.3
-    147.0544	   973.9	   944.7	-10446.4	   706.1
-    147.1043	  1018.1	   940.6	-10398.1	   705.9
-    147.1543	   975.0	   937.2	-10437.8	   705.8
-    147.2043	   941.1	   934.4	-10468.9	   705.6
-    147.2543	   995.3	   931.9	-10412.3	   705.4
-    147.3042	   972.1	   929.8	-10433.3	   705.2
-    147.3540	   926.9	   927.9	-10476.6	   705.1
-    147.4041	   942.4	   926.2	-10459.4	   704.9
-    147.4541	   932.5	   924.6	-10467.7	   704.7
-    147.5040	   884.8	   923.2	-10514.0	   704.5
-    147.5459	   997.2	   922.1	-10400.5	   704.4
-    147.5960	  1007.5	   920.9	-10389.0	   704.2
-    147.6461	   999.2	   919.8	-10396.2	   704.0
-    147.6962	   981.5	   918.7	-10412.9	   703.8
-    147.7461	   960.7	   917.8	-10432.7	   703.6
-    147.7961	   979.2	   916.9	-10413.3	   703.4
-    147.8462	   981.5	   916.1	-10410.3	   703.3
-    147.8962	   982.7	   915.4	-10408.3	   703.1
-    147.9462	   974.2	   914.7	-10416.1	   702.9
-    147.9961	   941.2	   914.0	-10448.5	   702.7
-    148.0461	   990.5	   913.4	-10398.5	   702.5
-    148.0962	   993.3	   912.9	-10395.2	   702.3
-    148.1461	   969.5	   912.4	-10418.5	   702.1
-    148.1961	   980.2	   911.9	-10407.4	   701.9
-    148.2460	   974.6	   911.4	-10412.5	   701.7
-    148.2960	   985.7	   911.0	-10401.0	   701.5
-    148.3459	  1020.1	   910.6	-10366.1	   701.3
-    148.3958	   954.7	   910.3	-10431.2	   701.1
-    148.4459	  1032.8	   910.0	-10352.7	   700.9
-    148.4958	   957.7	   909.6	-10427.5	   700.7
-    148.5458	  1007.6	   909.4	-10377.4	   700.5
-    148.5956	  1006.3	   909.1	-10378.4	   700.3
-    148.6456	   975.7	   908.8	-10408.8	   700.1
-    148.6957	  1039.4	   908.6	-10344.8	   699.9
-    148.7456	   953.8	   908.4	-10430.2	   699.7
-    148.7941	  1020.8	   908.2	-10363.1	   699.5
-    148.8443	   970.9	   908.1	-10412.8	   699.3
-    148.8943	  1013.6	   907.9	-10369.9	   699.1
-    148.9444	   951.1	   907.8	-10432.3	   698.8
-    148.9944	   989.5	   907.6	-10393.8	   698.6
-    149.0443	  1044.8	   907.5	-10338.4	   698.4
-    149.0944	  1011.9	   907.4	-10371.1	   698.2
-    149.1444	   995.1	   907.4	-10387.9	   698.0
-    149.1945	   938.3	   907.3	-10444.7	   697.8
-    149.2443	   936.5	   907.2	-10446.4	   697.5
-    149.2944	   970.4	   907.2	-10412.4	   697.3
-    149.3444	   965.6	   907.2	-10417.2	   697.1
-    149.3943	   955.4	   907.2	-10427.4	   696.9
-    149.4443	   913.5	   907.2	-10469.3	   696.7
-    149.4943	   872.3	   907.2	-10510.5	   696.4
-    149.5442	   933.1	   907.2	-10449.7	   696.2
-    149.5941	   884.6	   907.3	-10498.3	   696.0
-    149.6441	   945.0	   907.3	-10437.9	   695.8
-    149.6941	   910.7	   907.4	-10472.3	   695.5
-    149.7441	   948.5	   907.5	-10434.6	   695.3
-    149.7940	   937.3	   907.6	-10445.9	   695.1
-    149.8438	   927.5	   907.7	-10455.8	   694.8
-    149.8939	   923.5	   907.8	-10460.0	   694.6
-    149.9440	   924.2	   908.0	-10459.4	   694.4
-    149.9939	   935.0	   908.1	-10448.7	   694.1
-    150.0304	   866.6	   908.2	-10517.2	   693.9
-    150.0805	   889.9	   908.4	-10494.2	   693.7
-    150.1306	   877.9	   908.6	-10506.3	   693.5
-    150.1807	   917.9	   908.8	-10466.6	   693.2
-    150.2307	   910.7	   909.1	-10474.0	   693.0
-    150.2806	   879.5	   909.3	-10505.4	   692.7
-    150.3307	   824.4	   909.6	-10560.9	   692.5
-    150.3807	   826.0	   909.9	-10559.5	   692.3
-    150.4308	   932.0	   910.2	-10453.9	   692.0
-    150.4806	   875.2	   910.5	-10511.0	   691.8
-    150.5307	   890.0	   910.9	-10496.5	   691.5
-    150.5807	   872.3	   911.3	-10514.5	   691.3
-    150.6306	   868.3	   911.7	-10519.0	   691.0
-    150.6806	   885.7	   912.1	-10502.0	   690.8
-    150.7306	   902.5	   912.5	-10485.6	   690.5
-    150.7805	   902.1	   913.0	-10486.5	   690.2
-    150.8304	   894.7	   913.5	-10494.4	   690.0
-    150.8804	   823.4	   914.0	-10566.2	   689.7
-    150.9304	   866.3	   914.6	-10523.9	   689.5
-    150.9804	   837.5	   915.2	-10553.3	   689.2
-    151.0303	   879.5	   915.8	-10511.9	   689.0
-    151.0801	   868.4	   916.4	-10523.7	   688.7
-    151.1302	   845.3	   917.1	-10547.5	   688.4
-    151.1803	   877.0	   917.8	-10516.5	   688.2
-    151.2301	   849.1	   918.6	-10545.1	   687.9
-    151.2848	   875.0	   919.5	-10520.1	   687.6
-    151.3349	   887.5	   920.3	-10508.5	   687.3
-    151.3850	   882.9	   921.2	-10514.0	   687.1
-    151.4351	   846.1	   922.2	-10551.7	   686.8
-    151.4850	   874.0	   923.2	-10524.8	   686.5
-    151.5350	   875.8	   924.2	-10524.1	   686.2
-    151.5850	   906.8	   925.4	-10494.2	   686.0
-    151.6351	   842.9	   926.5	-10559.3	   685.7
-    151.6851	   844.0	   927.8	-10559.3	   685.4
-    151.7350	   874.3	   929.1	-10530.4	   685.1
-    151.7850	   883.9	   930.5	-10522.2	   684.9
-    151.8351	   899.1	   931.9	-10508.4	   684.6
-    151.8849	   859.0	   933.4	-10550.1	   684.3
-    151.9350	   884.1	   935.1	-10526.6	   684.0
-    151.9849	   879.1	   936.8	-10533.3	   683.7
-    152.0349	   848.8	   938.6	-10565.5	   683.4
-    152.0848	   883.3	   940.5	-10532.9	   683.2
-    152.1347	   876.8	   942.6	-10541.4	   682.9
-    152.1848	   909.8	   944.8	-10510.5	   682.6
-    152.2347	   868.2	   947.0	-10554.5	   682.3
-    152.2847	   895.9	   949.5	-10529.3	   682.0
-    152.3345	   874.4	   952.1	-10553.3	   681.7
-    152.3845	   891.2	   954.9	-10539.3	   681.4
-    152.4346	   859.5	   957.8	-10574.0	   681.1
-    152.4845	   882.6	   961.0	-10554.0	   680.8
-    152.5422	   929.6	   965.0	-10511.0	   680.5
-    152.5923	   867.4	   968.8	-10577.0	   680.2
-    152.6424	   927.1	   972.9	-10521.4	   679.9
-    152.6925	   930.5	   977.4	-10522.5	   679.6
-    152.7425	   941.0	   982.3	-10516.9	   679.3
-    152.7924	   969.1	   987.9	-10494.4	   679.0
-    152.8425	   906.3	   994.1	-10563.4	   678.7
-    152.8925	   897.3	  1001.2	-10579.6	   678.3
-    152.9426	   920.8	  1009.4	-10564.2	   678.0
-    152.9924	   918.6	  1018.9	-10575.9	   677.7
-    153.0424	   894.4	  1030.2	-10611.4	   677.4
-    153.0925	   878.5	  1043.6	-10640.8	   677.1
-    153.1424	   920.6	  1059.7	-10614.7	   676.8
-    153.1924	   903.9	  1079.1	-10650.8	   676.5
-    153.2424	   932.3	  1102.5	-10645.8	   676.2
-    153.2923	   909.3	  1131.0	-10697.3	   675.8
-    153.3422	   989.1	  1165.6	-10652.1	   675.5
-    153.3922	   929.2	  1207.6	-10754.0	   675.2
-    153.4422	   927.6	  1258.5	-10806.5	   674.9
-    153.4922	  1043.6	  1319.7	-10751.8	   674.6
-    153.5421	  1043.8	  1393.1	-10824.9	   674.2
-    153.5919	  1028.8	  1480.2	-10927.0	   673.9
-    153.6420	  1095.2	  1584.0	-10964.4	   673.6
-    153.6920	  1212.2	  1705.8	-10969.2	   673.3
-    153.7419	  1330.6	  1847.0	-10992.1	   672.9
-    153.7898	  1524.5	  2003.2	-10954.3	   672.6
-    153.8399	  1744.4	  2189.5	-10920.7	   672.3
-    153.8900	  1963.4	  2400.3	-10912.5	   671.9
-    153.9401	  2427.0	  2636.9	-10685.5	   671.6
-    153.9901	  2891.3	  2898.5	-10482.9	   671.3
-    154.0400	  3270.5	  3185.4	-10390.5	   670.9
-    154.0901	  3590.6	  3497.1	-10382.1	   670.6
-    154.1401	  4248.3	  3830.9	-10058.1	   670.3
-    154.1902	  4713.0	  4183.8	 -9946.4	   669.9
-    154.2400	  5098.4	  4550.6	 -9927.9	   669.6
-    154.2900	  5593.7	  4928.6	 -9810.5	   669.2
-    154.3401	  5817.8	  5312.0	 -9969.9	   668.9
-    154.3900	  6191.9	  5691.2	 -9974.9	   668.5
-    154.4400	  6599.0	  6061.7	 -9938.3	   668.2
-    154.4900	  6976.4	  6413.4	 -9912.7	   667.8
-    154.5399	  7353.5	  6738.0	 -9860.2	   667.5
-    154.5898	  7641.2	  7026.6	 -9861.1	   667.1
-    154.6398	  7776.5	  7270.5	 -9969.7	   666.8
-    154.6898	  7892.9	  7461.5	-10044.2	   666.4
-    154.7398	  7917.6	  7592.1	-10150.1	   666.1
-    154.7897	  7874.6	  7657.3	-10258.3	   665.7
-    154.8395	  7726.3	  7655.0	-10404.3	   665.3
-    154.8896	  7715.9	  7584.7	-10344.5	   665.0
-    154.9396	  7527.0	  7449.2	-10397.9	   664.6
-    154.9895	  7160.1	  7253.8	-10569.4	   664.3
-    155.0421	  6822.3	  6992.0	-10645.3	   663.9
-    155.0922	  6701.2	  6697.1	-10471.5	   663.5
-    155.1423	  6248.4	  6367.3	-10594.4	   663.1
-    155.1924	  5780.2	  6011.4	-10706.8	   662.8
-    155.2424	  5380.8	  5639.3	-10734.1	   662.4
-    155.2923	  4889.2	  5258.0	-10844.5	   662.0
-    155.3424	  4403.3	  4874.9	-10947.2	   661.7
-    155.3924	  4143.8	  4497.0	-10828.9	   661.3
-    155.4424	  3565.1	  4130.3	-11040.8	   660.9
-    155.4923	  3304.1	  3780.5	-10952.0	   660.5
-    155.5423	  3130.4	  3449.2	-10794.4	   660.2
-    155.5924	  2899.8	  3139.9	-10715.7	   659.8
-    155.6423	  2707.4	  2856.2	-10624.4	   659.4
-    155.6923	  2511.5	  2597.1	-10561.2	   659.0
-    155.7422	  2332.8	  2364.0	-10506.8	   658.6
-    155.7922	  2234.4	  2156.2	-10397.5	   658.2
-    155.8421	  2066.3	  1973.1	-10382.4	   657.8
-    155.8921	  1884.8	  1813.0	-10403.9	   657.5
-    155.9421	  1831.1	  1674.2	-10318.7	   657.1
-    155.9921	  1702.6	  1555.3	-10328.3	   656.7
-    156.0420	  1536.9	  1454.0	-10392.8	   656.3
-    156.0918	  1392.3	  1368.9	-10452.2	   655.9
-    156.1419	  1403.8	  1296.8	-10368.7	   655.5
-    156.1919	  1340.3	  1236.9	-10372.2	   655.1
-    156.2418	  1260.9	  1187.2	-10401.9	   654.7
-    156.2907	  1178.0	  1146.9	-10444.5	   654.3
-    156.3408	  1196.9	  1112.7	-10391.4	   653.9
-    156.3909	  1100.7	  1084.5	-10459.4	   653.5
-    156.4410	  1090.0	  1061.2	-10446.8	   653.1
-    156.4909	  1043.7	  1041.9	-10473.9	   652.7
-    156.5409	  1071.3	  1025.9	-10430.2	   652.3
-    156.5910	  1022.0	  1012.4	-10466.0	   651.9
-    156.6410	  1028.4	  1001.0	-10448.2	   651.5
-    156.6910	   978.7	   991.2	-10488.2	   651.1
-    156.7409	   975.5	   982.8	-10483.0	   650.6
-    156.7909	   938.2	   975.4	-10512.8	   650.2
-    156.8410	   909.1	   968.9	-10535.4	   649.8
-    156.8909	   902.0	   963.0	-10536.7	   649.4
-    156.9409	   918.4	   957.7	-10515.0	   649.0
-    156.9908	   923.5	   952.9	-10505.0	   648.6
-    157.0408	   980.4	   948.5	-10443.7	   648.1
-    157.0907	   929.9	   944.3	-10490.1	   647.7
-    157.1407	   909.5	   940.5	-10506.7	   647.3
-    157.1907	   897.3	   936.9	-10515.2	   646.9
-    157.2407	   913.5	   933.5	-10495.6	   646.4
-    157.2906	   927.2	   930.4	-10478.8	   646.0
-    157.3404	   914.9	   927.4	-10488.0	   645.6
-    157.3905	   875.7	   924.5	-10524.4	   645.1
-    157.4405	   871.6	   921.8	-10525.9	   644.7
-    157.4904	   868.8	   919.2	-10526.1	   644.3
-    157.5290	   880.8	   917.3	-10512.2	   643.9
-    157.5791	   870.5	   915.0	-10520.1	   643.5
-    157.6292	   842.8	   912.8	-10545.6	   643.1
-    157.6793	   894.1	   910.6	-10492.2	   642.6
-    157.7292	   906.3	   908.6	-10477.9	   642.2
-    157.7792	   892.2	   906.6	-10490.1	   641.7
-    157.8293	   918.7	   904.8	-10461.7	   641.3
-    157.8793	   867.2	   903.0	-10511.5	   640.8
-    157.9293	   910.1	   901.3	-10466.8	   640.4
-    157.9792	   833.0	   899.7	-10542.3	   639.9
-    158.0292	   872.6	   898.1	-10501.1	   639.5
-    158.0793	   881.0	   896.6	-10491.2	   639.0
-    158.1292	   910.2	   895.2	-10460.5	   638.6
-    158.1792	   834.5	   893.8	-10534.9	   638.1
-    158.2291	   887.8	   892.5	-10480.3	   637.7
-    158.2791	   869.3	   891.2	-10497.5	   637.2
-    158.3290	   852.4	   890.0	-10513.1	   636.7
-    158.3790	   897.2	   888.8	-10467.2	   636.3
-    158.4290	   904.4	   887.6	-10458.8	   635.8
-    158.4789	   899.4	   886.5	-10462.8	   635.3
-    158.5289	   974.9	   885.5	-10386.2	   634.9
-    158.5787	   886.5	   884.5	-10473.6	   634.4
-    158.6288	   888.3	   883.5	-10470.8	   633.9
-    158.6788	   894.6	   882.6	-10463.6	   633.5
-    158.7287	   887.6	   881.7	-10469.7	   633.0
-    158.7828	   933.2	   880.7	-10423.1	   632.5
-    158.8329	   920.7	   879.9	-10434.8	   632.0
-    158.8830	   858.6	   879.1	-10496.1	   631.5
-    158.9331	   873.9	   878.3	-10480.0	   631.0
-    158.9830	   898.2	   877.5	-10454.9	   630.6
-    159.0330	   865.1	   876.8	-10487.4	   630.1
-    159.0831	   905.0	   876.1	-10446.7	   629.6
-    159.1331	   924.5	   875.4	-10426.6	   629.1
-    159.1831	   881.3	   874.7	-10469.1	   628.6
-    159.2330	   858.9	   874.1	-10490.8	   628.1
-    159.2830	   933.1	   873.5	-10416.0	   627.6
-    159.3331	   979.0	   872.9	-10369.6	   627.2
-    159.3830	   936.9	   872.4	-10411.1	   626.7
-    159.4330	   882.3	   871.8	-10465.2	   626.2
-    159.4829	   924.4	   871.3	-10422.6	   625.7
-    159.5329	   935.6	   870.8	-10410.8	   625.2
-    159.5828	   930.2	   870.3	-10415.8	   624.7
-    159.6327	   902.0	   869.8	-10443.5	   624.2
-    159.6828	   941.6	   869.4	-10403.4	   623.7
-    159.7327	   963.4	   869.0	-10381.2	   623.2
-    159.7827	   864.8	   868.6	-10479.4	   622.7
-    159.8325	   941.3	   868.2	-10402.5	   622.2
-    159.8825	   912.9	   867.8	-10430.5	   621.6
-    159.9326	   964.0	   867.4	-10379.0	   621.1
-    159.9825	   944.9	   867.1	-10397.8	   620.6
-    160.0412	   963.1	   866.7	-10379.3	   620.0
-    160.0913	   913.9	   866.4	-10428.1	   619.5
-    160.1414	   960.6	   866.1	-10381.1	   619.0
-    160.1915	   973.1	   865.8	-10368.3	   618.5
-    160.2415	   943.3	   865.6	-10397.9	   617.9
-    160.2914	   880.6	   865.3	-10460.4	   617.4
-    160.3415	   928.2	   865.1	-10412.6	   616.9
-    160.3915	   907.8	   864.9	-10432.7	   616.4
-    160.4416	   901.1	   864.7	-10439.2	   615.8
-    160.4914	   919.4	   864.5	-10420.7	   615.3
-    160.5414	   937.5	   864.3	-10402.5	   614.8
-    160.5915	   946.6	   864.2	-10393.2	   614.2
-    160.6414	   960.0	   864.0	-10379.7	   613.7
-    160.6914	   902.5	   863.9	-10437.0	   613.2
-    160.7414	   895.9	   863.8	-10443.5	   612.6
-    160.7913	   999.2	   863.7	-10340.1	   612.1
-    160.8412	   911.0	   863.6	-10428.2	   611.6
-    160.8912	   961.5	   863.6	-10377.7	   611.0
-    160.9412	   936.5	   863.5	-10402.7	   610.5
-    160.9912	   945.3	   863.5	-10393.8	   609.9
-    161.0411	   933.9	   863.5	-10405.2	   609.4
-    161.0909	   939.2	   863.5	-10400.0	   608.8
-    161.1410	   983.5	   863.5	-10355.7	   608.3
-    161.1910	   902.9	   863.5	-10436.3	   607.7
-    161.2409	   945.8	   863.6	-10393.4	   607.2
-    161.2970	   924.1	   863.7	-10415.2	   606.5
-    161.3471	   960.8	   863.8	-10378.5	   606.0
-    161.3972	   908.7	   863.9	-10430.8	   605.4
-    161.4473	   938.1	   864.0	-10401.6	   604.9
-    161.4972	   886.2	   864.1	-10453.5	   604.3
-    161.5472	   934.1	   864.3	-10405.8	   603.7
-    161.5972	   923.1	   864.5	-10417.0	   603.2
-    161.6473	   947.9	   864.7	-10392.4	   602.6
-    161.6973	  1005.5	   864.9	-10335.1	   602.0
-    161.7472	   920.5	   865.1	-10420.2	   601.5
-    161.7972	   957.3	   865.4	-10383.7	   600.9
-    161.8473	  1002.4	   865.7	-10338.9	   600.3
-    161.8972	   937.3	   866.0	-10404.4	   599.7
-    161.9472	   924.2	   866.4	-10417.8	   599.2
-    161.9971	   925.5	   866.7	-10416.8	   598.6
-    162.0470	   953.8	   867.1	-10388.9	   598.0
-    162.0970	   878.3	   867.5	-10464.9	   597.4
-    162.1469	   905.2	   868.0	-10438.4	   596.8
-    162.1970	   925.7	   868.5	-10418.4	   596.2
-    162.2469	   878.3	   869.0	-10466.3	   595.7
-    162.2969	   858.4	   869.5	-10486.7	   595.1
-    162.3466	   913.1	   870.1	-10432.6	   594.5
-    162.3967	   889.8	   870.7	-10456.5	   593.9
-    162.4468	   926.5	   871.4	-10420.5	   593.3
-    162.4967	   902.4	   872.1	-10445.3	   592.7
-    162.5567	   966.2	   873.0	-10382.4	   592.0
-    162.6068	   905.1	   873.8	-10444.3	   591.4
-    162.6568	   944.7	   874.6	-10405.6	   590.8
-    162.7070	   935.8	   875.6	-10415.4	   590.2
-    162.7569	   957.4	   876.5	-10394.8	   589.6
-    162.8069	   909.2	   877.6	-10444.0	   589.0
-    162.8569	   988.5	   878.7	-10365.8	   588.3
-    162.9070	   923.1	   879.9	-10432.4	   587.7
-    162.9570	   907.3	   881.1	-10449.5	   587.1
-    163.0069	   893.1	   882.5	-10465.0	   586.5
-    163.0569	   911.5	   883.9	-10448.0	   585.9
-    163.1070	   983.7	   885.5	-10377.4	   585.3
-    163.1568	  1061.0	   887.1	-10301.8	   584.6
-    163.2069	   928.9	   888.9	-10435.6	   584.0
-    163.2568	   960.2	   890.8	-10406.2	   583.4
-    163.3067	   968.3	   892.8	-10400.0	   582.8
-    163.3567	   961.8	   894.9	-10408.8	   582.2
-    163.4066	   954.6	   897.2	-10418.2	   581.5
-    163.4567	   916.1	   899.7	-10459.3	   580.9
-    163.5066	   981.9	   902.4	-10396.1	   580.3
-    163.5566	   916.6	   905.3	-10464.2	   579.6
-    163.6063	   919.8	   908.3	-10464.1	   579.0
-    163.6564	   972.9	   911.6	-10414.3	   578.4
-    163.7065	  1058.1	   915.2	-10332.7	   577.7
-    163.7564	  1061.1	   754.2	-10168.8	   577.1
+IGOR
+WAVES     TwoTheta,       Iobs,   Icalc,  Diff
+BEGIN
+       4.164      249.28      709.64     -460.36
+       4.214      242.77      710.04     -467.27
+       4.264      261.99      710.43     -448.44
+       4.314      374.47      710.83     -336.36
+       4.364      435.31      711.22     -275.91
+       4.414      647.92      711.61      -63.69
+       4.464      806.68      712.00       94.68
+       4.514      868.33      712.39      155.94
+       4.564     1082.78      712.78      370.00
+       4.614     1245.94      713.17      532.77
+       4.664     1161.56      713.55      448.01
+       4.714     1270.88      713.94      556.94
+       4.764     1353.10      714.32      638.78
+       4.814     1394.96      714.70      680.26
+       4.864     1344.30      715.09      629.21
+       4.914     1395.56      715.46      680.10
+       4.964     1418.44      715.84      702.60
+       5.014     1512.19      716.22      795.97
+       5.064     1533.20      716.60      816.60
+       5.117     1511.09      717.00      794.09
+       5.167     1557.83      717.37      840.46
+       5.217     1570.98      717.75      853.23
+       5.267     1524.03      718.12      805.91
+       5.317     1557.07      718.49      838.58
+       5.367     1518.49      718.86      799.63
+       5.417     1492.80      719.23      773.57
+       5.467     1467.48      719.60      747.88
+       5.517     1642.49      719.97      922.52
+       5.567     1467.95      720.33      747.62
+       5.617     1480.74      720.70      760.04
+       5.667     1504.68      721.06      783.62
+       5.717     1493.81      721.43      772.38
+       5.767     1526.23      721.79      804.44
+       5.817     1448.03      722.15      725.88
+       5.867     1480.69      722.51      758.18
+       5.917     1399.52      722.87      676.65
+       5.966     1416.73      723.22      693.51
+       6.016     1395.40      723.58      671.82
+       6.066     1287.19      723.93      563.26
+       6.116     1413.82      724.29      689.53
+       6.166     1294.07      724.64      569.43
+       6.216     1329.71      724.99      604.72
+       6.266     1295.20      725.34      569.86
+       6.316     1221.64      725.69      495.95
+       6.362     1239.25      726.01      513.24
+       6.412     1234.43      726.36      508.07
+       6.462     1176.34      726.70      449.64
+       6.512     1230.70      727.05      503.65
+       6.562     1157.69      727.40      430.29
+       6.612     1123.19      727.74      395.45
+       6.662     1173.25      728.08      445.17
+       6.712     1163.54      728.42      435.12
+       6.762     1160.56      728.76      431.80
+       6.812     1090.30      729.10      361.20
+       6.862     1089.23      729.44      359.79
+       6.912     1115.90      729.78      386.12
+       6.962     1035.09      730.11      304.98
+       7.012     1073.90      730.45      343.45
+       7.062     1088.65      730.78      357.87
+       7.112     1060.65      731.11      329.54
+       7.162     1001.18      731.45      269.73
+       7.212     1051.08      731.78      319.30
+       7.262     1038.77      732.11      306.66
+       7.312      987.64      732.43      255.21
+       7.361     1032.94      732.76      300.18
+       7.411     1014.73      733.09      281.64
+       7.461      967.70      733.41      234.29
+       7.511     1053.04      733.74      319.30
+       7.561      987.22      734.06      253.16
+       7.618     1027.23      734.42      292.81
+       7.668      957.69      734.75      222.94
+       7.718      950.30      735.07      215.23
+       7.768      965.57      735.39      230.18
+       7.818      908.56      735.71      172.85
+       7.868      990.94      736.02      254.92
+       7.918      948.75      736.34      212.41
+       7.968     1014.25      736.66      277.59
+       8.018      909.56      736.97      172.59
+       8.068      963.50      737.28      226.22
+       8.118      956.97      737.59      219.38
+       8.168      941.60      737.91      203.69
+       8.218      944.65      738.22      206.43
+       8.268      958.38      738.52      219.86
+       8.318      915.62      738.83      176.79
+       8.368      926.86      739.14      187.72
+       8.418      898.35      739.45      158.90
+       8.468      883.90      739.75      144.15
+       8.518      907.95      740.05      167.90
+       8.568      840.81      740.36      100.45
+       8.618      854.40      740.66      113.74
+       8.667      909.80      740.96      168.84
+       8.717      933.86      741.26      192.60
+       8.767      883.97      741.56      142.41
+       8.817      872.52      741.86      130.66
+       8.870      889.41      742.17      147.24
+       8.920      872.92      742.47      130.45
+       8.970      910.67      742.76      167.91
+       9.020      869.99      743.06      126.93
+       9.070      859.96      743.35      116.61
+       9.120      858.03      743.64      114.39
+       9.170      834.26      743.94       90.32
+       9.220      856.79      744.23      112.56
+       9.271      837.15      744.52       92.63
+       9.320      822.58      744.80       77.78
+       9.370      863.24      745.09      118.15
+       9.420      827.61      745.38       82.23
+       9.470      826.65      745.66       80.99
+       9.520      842.37      745.95       96.42
+       9.570      902.88      746.23      156.65
+       9.620      827.23      746.51       80.72
+       9.670      846.33      746.79       99.54
+       9.720      825.69      747.07       78.62
+       9.770      765.93      747.35       18.58
+       9.820      845.02      747.63       97.39
+       9.870      850.36      747.91      102.45
+       9.920      841.36      748.18       93.17
+       9.970      832.23      748.46       83.77
+      10.020      780.68      748.74       31.94
+      10.070      839.40      749.01       90.39
+      10.125      805.00      749.31       55.69
+      10.175      736.57      749.58      -13.01
+      10.225      815.42      749.86       65.56
+      10.275      793.91      750.13       43.78
+      10.325      817.66      750.39       67.27
+      10.375      770.70      750.66       20.04
+      10.425      804.50      750.93       53.57
+      10.475      727.04      751.20      -24.16
+      10.525      751.78      751.46        0.32
+      10.575      764.02      751.73       12.29
+      10.625      802.46      751.99       50.47
+      10.675      752.71      752.25        0.46
+      10.725      793.85      752.51       41.34
+      10.775      776.92      752.78       24.14
+      10.825      791.07      753.03       38.04
+      10.875      788.79      753.29       35.50
+      10.925      784.57      753.55       31.02
+      10.975      775.27      753.81       21.46
+      11.025      754.16      754.06        0.10
+      11.075      787.35      754.32       33.03
+      11.125      813.34      754.57       58.77
+      11.175      713.61      754.83      -41.22
+      11.225      731.27      755.08      -23.81
+      11.275      726.09      755.33      -29.24
+      11.325      779.29      755.58       23.71
+      11.374      762.10      755.83        6.27
+      11.425      760.08      756.08        4.00
+      11.475      802.53      756.33       46.20
+      11.525      755.89      756.58       -0.69
+      11.575      768.50      756.82       11.68
+      11.625      790.01      757.07       32.94
+      11.675      734.06      757.31      -23.25
+      11.725      784.43      757.56       26.87
+      11.775      724.67      757.80      -33.13
+      11.825      779.11      758.04       21.07
+      11.875      752.73      758.28       -5.55
+      11.925      733.54      758.52      -24.98
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+     150.030      866.62      909.10      -42.48
+     150.081      889.86      909.30      -19.44
+     150.131      877.91      909.52      -31.61
+     150.181      917.89      909.75        8.14
+     150.231      910.71      910.00        0.71
+     150.281      879.55      910.27      -30.72
+     150.331      824.36      910.55      -86.19
+     150.381      826.00      910.86      -84.86
+     150.431      931.96      911.18       20.78
+     150.481      875.17      911.52      -36.35
+     150.531      890.03      911.89      -21.86
+     150.581      872.34      912.27      -39.93
+     150.631      868.33      912.68      -44.35
+     150.681      885.74      913.11      -27.37
+     150.731      902.51      913.56      -11.05
+     150.781      902.12      914.04      -11.92
+     150.830      894.70      914.55      -19.85
+     150.880      823.41      915.09      -91.68
+     150.930      866.33      915.65      -49.32
+     150.980      837.49      916.25      -78.76
+     151.030      879.53      916.87      -37.34
+     151.080      868.38      917.53      -49.15
+     151.130      845.28      918.23      -72.95
+     151.180      876.99      918.97      -41.98
+     151.230      849.14      919.74      -70.60
+     151.285      875.04      920.63      -45.59
+     151.335      887.48      921.50      -34.02
+     151.385      882.87      922.41      -39.54
+     151.435      846.07      923.38      -77.31
+     151.485      873.98      924.39      -50.41
+     151.535      875.79      925.46      -49.67
+     151.585      906.82      926.59      -19.77
+     151.635      842.86      927.78      -84.92
+     151.685      844.05      929.04      -84.99
+     151.735      874.29      930.37      -56.08
+     151.785      883.92      931.77      -47.85
+     151.835      899.11      933.26      -34.15
+     151.885      859.02      934.83      -75.81
+     151.935      884.14      936.50      -52.36
+     151.985      879.13      938.26      -59.13
+     152.035      848.79      940.13      -91.34
+     152.085      883.27      942.10      -58.83
+     152.135      876.83      944.21      -67.38
+     152.185      909.83      946.44      -36.61
+     152.235      868.19      948.82      -80.63
+     152.285      895.86      951.35      -55.49
+     152.334      874.38      954.03      -79.65
+     152.385      891.24      955.53      -64.29
+     152.435      859.45      958.62      -99.17
+     152.484      882.63      961.91      -79.28
+     152.542      929.62      965.99      -36.37
+     152.592      867.36      969.81     -102.45
+     152.642      927.09      973.90      -46.81
+     152.693      930.49      978.30      -47.81
+     152.742      941.01      983.02      -42.01
+     152.792      969.11      988.11      -19.00
+     152.842      906.28      993.63      -87.35
+     152.893      897.26      999.62     -102.36
+     152.943      920.82     1006.15      -85.33
+     152.992      918.64     1013.28      -94.64
+     153.042      894.43     1021.19     -126.76
+     153.093      878.50     1030.03     -151.53
+     153.142      920.57     1039.98     -119.41
+     153.192      903.93     1051.40     -147.47
+     153.242      932.33     1064.69     -132.36
+     153.292      909.28     1080.41     -171.13
+     153.342      989.14     1099.34     -110.20
+     153.392      929.18     1122.53     -193.35
+     153.442      927.63     1151.36     -223.73
+     153.492     1043.55     1187.45     -143.90
+     153.542     1043.77     1232.94     -189.17
+     153.592     1028.83     1290.25     -261.42
+     153.642     1095.20     1363.05     -267.85
+     153.692     1212.24     1454.59     -242.35
+     153.742     1330.57     1568.43     -237.86
+     153.790     1524.50     1702.88     -178.38
+     153.840     1744.39     1874.04     -129.65
+     153.890     1963.43     2080.52     -117.09
+     153.940     2426.97     2326.15      100.82
+     153.990     2891.28     2612.90      278.38
+     154.040     3270.53     2943.12      327.41
+     154.090     3590.64     3317.33      273.31
+     154.140     4248.34     3733.04      515.30
+     154.190     4713.04     4185.71      527.33
+     154.240     5098.39     4666.67      431.73
+     154.290     5593.74     5169.47      424.27
+     154.340     5817.80     5680.47      137.33
+     154.390     6191.93     6181.58       10.35
+     154.440     6598.96     6658.56      -59.60
+     154.490     6976.38     7090.79     -114.41
+     154.540     7353.49     7460.61     -107.12
+     154.590     7641.19     7752.98     -111.79
+     154.640     7776.45     7957.12     -180.67
+     154.690     7892.90     8067.36     -174.46
+     154.740     7917.59     8083.13     -165.54
+     154.790     7874.63     8009.30     -134.67
+     154.839     7726.31     7854.95     -128.64
+     154.890     7715.86     7629.63       86.23
+     154.940     7527.01     7347.41      179.60
+     154.990     7160.09     7022.68      137.41
+     155.042     6822.30     6647.14      175.16
+     155.092     6701.23     6269.01      432.22
+     155.142     6248.44     5881.41      367.03
+     155.192     5780.20     5492.49      287.71
+     155.242     5380.80     5111.10      269.70
+     155.292     4889.18     4742.88      146.30
+     155.342     4403.32     4391.84       11.48
+     155.392     4143.75     4062.08       81.67
+     155.442     3565.15     3754.81     -189.66
+     155.492     3304.11     3471.09     -166.98
+     155.542     3130.39     3208.62      -78.23
+     155.592     2899.81     2966.93      -67.12
+     155.642     2707.41     2746.56      -39.15
+     155.692     2511.48     2544.74      -33.26
+     155.742     2332.83     2361.50      -28.67
+     155.792     2234.37     2195.27       39.10
+     155.842     2066.28     2044.87       21.41
+     155.892     1884.79     1909.01      -24.22
+     155.942     1831.06     1786.45       44.61
+     155.992     1702.58     1676.65       25.93
+     156.042     1536.86     1578.63      -41.77
+     156.092     1392.33     1491.81      -99.48
+     156.142     1403.82     1414.63      -10.81
+     156.192     1340.29     1346.88       -6.59
+     156.242     1260.93     1287.91      -26.98
+     156.291     1177.96     1237.68      -59.72
+     156.341     1196.91     1193.18        3.73
+     156.391     1100.68     1154.97      -54.29
+     156.441     1090.03     1122.29      -32.26
+     156.491     1043.67     1094.54      -50.87
+     156.541     1071.26     1070.94        0.32
+     156.591     1022.03     1050.88      -28.85
+     156.641     1028.42     1033.86       -5.44
+     156.691      978.65     1019.40      -40.75
+     156.741      975.45     1007.10      -31.65
+     156.791      938.21      996.53      -58.32
+     156.841      909.07      987.39      -78.32
+     156.891      901.99      979.48      -77.49
+     156.941      918.38      972.51      -54.13
+     156.991      923.55      966.35      -42.80
+     157.041      980.39      960.83       19.56
+     157.091      929.91      955.86      -25.95
+     157.141      909.48      951.33      -41.85
+     157.191      897.31      947.17      -49.86
+     157.241      913.51      943.34      -29.83
+     157.291      927.18      939.78      -12.60
+     157.340      914.94      936.47      -21.53
+     157.390      875.70      933.36      -57.66
+     157.441      871.56      930.44      -58.88
+     157.490      868.81      927.69      -58.88
+     157.529      880.75      925.68      -44.93
+     157.579      870.53      923.19      -52.66
+     157.629      842.80      920.84      -78.04
+     157.679      894.07      918.61      -24.54
+     157.729      906.30      916.50      -10.20
+     157.779      892.17      914.49      -22.32
+     157.829      918.69      912.58        6.11
+     157.879      867.16      910.76      -43.60
+     157.929      910.07      909.03        1.04
+     157.979      832.95      907.39      -74.44
+     158.029      872.59      905.81      -33.22
+     158.079      881.02      904.30      -23.28
+     158.129      910.25      902.87        7.38
+     158.179      834.55      901.50      -66.95
+     158.229      887.76      900.18      -12.42
+     158.279      869.35      898.92      -29.57
+     158.329      852.43      897.72      -45.29
+     158.379      897.17      896.56        0.61
+     158.429      904.44      895.45        8.99
+     158.479      899.39      894.39        5.00
+     158.529      974.94      893.37       81.57
+     158.579      886.55      892.39       -5.84
+     158.629      888.35      891.44       -3.09
+     158.679      894.56      890.54        4.02
+     158.729      887.59      889.67       -2.08
+     158.783      933.20      888.76       44.44
+     158.833      920.73      887.96       32.77
+     158.883      858.56      887.18      -28.62
+     158.933      873.86      886.44      -12.58
+     158.983      898.25      885.73       12.52
+     159.033      865.06      885.04      -19.98
+     159.083      905.02      884.38       20.64
+     159.133      924.46      883.74       40.72
+     159.183      881.28      883.13       -1.85
+     159.233      858.94      882.54      -23.60
+     159.283      933.10      881.98       51.12
+     159.333      979.00      881.43       97.57
+     159.383      936.92      880.91       56.01
+     159.433      882.29      880.41        1.88
+     159.483      924.36      879.92       44.44
+     159.533      935.60      879.46       56.14
+     159.583      930.18      879.02       51.16
+     159.633      901.98      878.59       23.39
+     159.683      941.62      878.19       63.43
+     159.733      963.43      877.80       85.63
+     159.783      864.83      877.43      -12.60
+     159.832      941.26      877.07       64.19
+     159.883      912.89      876.73       36.16
+     159.933      964.01      876.41       87.60
+     159.982      944.89      876.10       68.79
+     160.041      963.06      875.76       87.30
+     160.091      913.88      875.49       38.39
+     160.141      960.61      875.23       85.38
+     160.192      973.14      874.99       98.15
+     160.241      943.27      874.76       68.51
+     160.291      880.56      874.55        6.01
+     160.341      928.16      874.35       53.81
+     160.392      907.78      874.17       33.61
+     160.442      901.10      874.00       27.10
+     160.491      919.39      873.85       45.54
+     160.541      937.45      873.71       63.74
+     160.592      946.58      873.58       73.00
+     160.641      959.96      873.47       86.49
+     160.691      902.51      873.38       29.13
+     160.741      895.89      873.30       22.59
+     160.791      999.19      873.23      125.96
+     160.841      911.04      873.18       37.86
+     160.891      961.51      873.14       88.37
+     160.941      936.45      873.12       63.33
+     160.991      945.28      873.11       72.17
+     161.041      933.90      873.12       60.78
+     161.091      939.15      873.14       66.01
+     161.141      983.45      873.17      110.28
+     161.191      902.91      873.23       29.68
+     161.241      945.82      873.29       72.53
+     161.297      924.10      873.39       50.71
+     161.347      960.85      873.49       87.36
+     161.397      908.65      873.61       35.04
+     161.447      938.06      873.74       64.32
+     161.497      886.22      873.89       12.33
+     161.547      934.11      874.06       60.05
+     161.597      923.08      874.24       48.84
+     161.647      947.87      874.45       73.42
+     161.697     1005.47      874.67      130.80
+     161.747      920.53      874.90       45.63
+     161.797      957.30      875.16       82.14
+     161.847     1002.40      875.43      126.97
+     161.897      937.29      875.73       61.56
+     161.947      924.22      876.04       48.18
+     161.997      925.53      876.37       49.16
+     162.047      953.83      876.73       77.10
+     162.097      878.26      877.10        1.16
+     162.147      905.23      877.50       27.73
+     162.197      925.70      877.91       47.79
+     162.247      878.28      878.35       -0.07
+     162.297      858.43      878.82      -20.39
+     162.347      913.07      879.30       33.77
+     162.397      889.83      879.81       10.02
+     162.447      926.53      880.35       46.18
+     162.497      902.39      880.91       21.48
+     162.557      966.16      881.61       84.55
+     162.607      905.06      882.23       22.83
+     162.657      944.70      882.88       61.82
+     162.707      935.82      883.56       52.26
+     162.757      957.39      884.26       73.13
+     162.807      909.22      885.00       24.22
+     162.857      988.54      885.76      102.78
+     162.907      923.08      886.56       36.52
+     162.957      907.31      887.39       19.92
+     163.007      893.08      888.26        4.82
+     163.057      911.54      889.16       22.38
+     163.107      983.70      890.10       93.60
+     163.157     1060.96      891.08      169.88
+     163.207      928.88      892.09       36.79
+     163.257      960.16      893.15       67.01
+     163.307      968.35      894.25       74.10
+     163.357      961.79      895.40       66.39
+     163.407      954.64      896.59       58.05
+     163.457      916.09      897.84       18.25
+     163.507      981.89      899.14       82.75
+     163.557      916.63      900.49       16.14
+     163.606      919.80      901.90       17.90
+     163.656      972.91      903.37       69.54
+     163.706     1058.06      904.91      153.15
+     163.756     1061.08      781.44      279.64
+END
+WAVES     Phase1, tik1
+BEGIN
+      22.297      -1396
+      31.832      -1396
+      39.303      -1396
+      45.738      -1396
+      51.537      -1396
+      56.905      -1396
+      66.798      -1396
+      71.463      -1396
+      71.463      -1396
+      76.006      -1396
+      80.462      -1396
+      84.862      -1396
+      89.232      -1396
+      93.600      -1396
+     102.428      -1396
+     106.946      -1396
+     106.946      -1396
+     111.576      -1396
+     111.576      -1396
+     116.362      -1396
+     121.357      -1396
+     126.637      -1396
+     132.311      -1396
+     145.705      -1396
+     154.531      -1396
+     154.531      -1396
+     168.477      -1396
+     168.477      -1396
+END
+WAVES Excrg1, excl1
+BEGIN
+        4.16      -1396
+       10.00      -1396
+END
+WAVES Excrg2, excl2
+BEGIN
+      164.00      -1396
+      163.76      -1396
+END
+X Silent 1
+X DefaultFont Times
+X Display Iobs, Icalc, Diff vs TwoTheta
+X Modify mode(Iobs)=2, rgb(Iobs)=(0,0,0), rgb(Diff)=(3800,44400,4000)
+X SetAxis bottom     4.16,   163.76
+X Modify lsize(Iobs)=2
+X Modify offset(Diff)={0,  -9327}
+X Modify wbRGB=(48483,64909,65535), gbRGB=(64612,65535,49415)
+X Modify mirror(left)=2, mirror(bottom)=2
+X Modify gfSize=12
+X Append excl1 vs Excrg1
+X Modify mode(excl1)=7, hbFill(excl1)=4
+X Modify rgb(excl1)=(6421,62320,64794)
+X Append excl2 vs Excrg2
+X Modify mode(excl2)=7, hbFill(excl2)=4
+X Modify rgb(excl2)=(6421,62320,64794)
+X Append tik1 vs Phase1
+X Modify mode(tik1)=1
+X TextBox /F=2/S=3/A=RT "Files: ECH0030684_LaB6_1p622A\rDate of fit: \Z09 09/06/2026/ 12:42:02.1\Z12\rnuclear\rChi2 =    8.84"
+X Label left "\Z14Intensity"
+X Label bottom "\Z142-Theta (in degrees)"
+X TileWindows/O=1/C
+X ShowInfo
+X | Title of data set:  LaB6 Ge(331)
+X | Date of run: 09/06/2026 / 12:42:02.1
+X Beep
+X Beep
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.sum b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.sum
index 59638a781..99c91a227 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.sum
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A.sum
@@ -1,14 +1,14 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 08/06/2026  Time: 14:22:23.253                              
+    Date: 09/06/2026  Time: 12:42:01.720                              
 
  => PCR file code: ECH0030684_LaB6_1p622A
  => DAT file code: ECH0030684_LaB6_1p62 -> Relative contribution: 1.0000                                                            
@@ -21,23 +21,22 @@
 
  => X-Y type of data: 2theta/TOF/E(Kev) Intens sigma for pattern:  1
  => Analysis of refinement at the end
- => Wavelengths:  1.62389 1.62389
+ => Wavelengths:  1.62253 1.62253
  => Cos(Monochromator angle)=   0.0000
  => Absorption correction (AC), muR-eff =   0.7000  0.0000
  => AC : Cylinder Debye-Scherrer (Hewat formula)
  => Base of peaks: 2.0*HW*   12.00
- => Wavelength is refined
  ==> Angular range, step and number of points:
      2Thmin:       4.164220  2Thmax:     163.756378  Step:       0.049998  No. of points:   3194
  =>-------> Pattern#  1
  => Crystal Structure Refinement for phase: 1
  => The density (volumic mass) of phase 1 is:    4.711 g/cm3
- => Scor: 3.3300
+ => Scor: 2.9554
 
  ==> RESULTS OF REFINEMENT:
 
 
- => No. of fitted parameters:   16
+ => No. of fitted parameters:    0
 
 
 ------------------------------------------------------------------------------
@@ -50,8 +49,8 @@
  ==> ATOM PARAMETERS:
 
   Name      x     sx       y     sy       z      sz      B   sB   occ. socc.  Mult
- La      0.00000(   0)  0.00000(   0)  0.00000(   0)  0.534( 20)  0.021(  0)    1
- B       0.19972(  16)  0.50000(   0)  0.50000(   0)  0.394(  0)  0.125(  0)    6
+ La      0.00000(   0)  0.00000(   0)  0.00000(   0)  0.600(  0)  0.021(  0)    1
+ B       0.19978(   0)  0.50000(   0)  0.50000(   0)  0.445(  0)  0.125(  0)    6
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
@@ -63,12 +62,12 @@
                              90.00000   0.00000
                              90.00000   0.00000
  
- => overall scale factor :    136.050689697     0.541358113
+ => overall scale factor :   141.1285      0.000000    
  => Eta(p-v) or m(p-vii) :    0.00000   0.00000
  => Overall tem. factor  :    0.00000   0.00000
- => Halfwidth parameters :    0.14336   0.00301
-                             -0.52217   0.00885
-                              0.59041   0.00702
+ => Halfwidth parameters :    0.08966   0.00000
+                             -0.37579   0.00000
+                              0.47652   0.00000
  => Preferred orientation:    0.00000   0.00000
                               0.00000   0.00000
  => Asymmetry parameters :    0.00000   0.00000
@@ -76,7 +75,7 @@
                               0.00000   0.00000
                               0.00000   0.00000
  => X and y parameters   :    0.00000   0.00000
-                              0.05428   0.00198
+                              0.05243   0.00000
  => Strain parameters    :    0.00000   0.00000
                               0.00000   0.00000
                               0.00000   0.00000
@@ -84,163 +83,61 @@
                               0.00000   0.00000
 
  => Add. shape parameters: 
-                              0.00000   0.00000
-                              0.00000   0.00000
+                             0.800000E-01   0.00000    
+                             0.800000E-01   0.00000    
 
 
 
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:    -0.4550    0.0107
- => Refined wavelength:   1.623891  0.000054
+ => Zero-point:    -0.2111    0.0000
  => Background Polynomial Parameters ==>
-                               777.52      4.4352    
-                               52.161      11.022    
-                               365.26      28.543    
-                               16.143      19.945    
-                              -413.53      36.034    
+                               782.02      0.0000    
+                               75.285      0.0000    
+                               291.74      0.0000    
+                              -3.1490      0.0000    
+                              -329.24      0.0000    
                                0.0000      0.0000    
  
- => Cos(2theta)-shift parameter :   0.0105  0.0057
- => Sin(2theta)-shift parameter :   0.2419  0.0082
+ => Cos(2theta)-shift parameter :   0.0528  0.0000
+ => Sin(2theta)-shift parameter :   0.0907  0.0000
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
-  => Cycle:  1 => MaxCycle:100
- => N-P+C:  3060
+  => Cycle:  1 => MaxCycle:200
+ => N-P+C:  3076
  =>  R-factors (not corrected for background) for Pattern:  1
- => Rp:  7.80     Rwp:  10.5     Rexp:    2.75 Chi2:  14.7      L.S. refinement
+ => Rp:  6.13     Rwp:  8.20     Rexp:    2.76 Chi2:  8.84      L.S. refinement
  => Conventional Rietveld R-factors for Pattern:  1
- => Rp:  15.5     Rwp:  17.9     Rexp:    4.68 Chi2:  14.7    
- => Deviance:  0.649E+05     Dev*  :   21.19    
- => DW-Stat.:    0.2431     DW-exp:     1.8984
- => N-sigma of the GoF:      535.391
+ => Rp:  12.2     Rwp:  13.9     Rexp:    4.69 Chi2:  8.84    
+ => Deviance:  0.356E+05     Dev*  :   11.58    
+ => DW-Stat.:    0.3573     DW-exp:     1.8880
+ => N-sigma of the GoF:      307.350
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => N-P+C:  2993
+ => N-P+C:  2989
  =>  R-factors (not corrected for background) for Pattern:  1
- => Rp:  7.85     Rwp:  10.6     Rexp:    2.74 Chi2:  15.0      L.S. refinement
+ => Rp:  6.17     Rwp:  8.24     Rexp:    2.74 Chi2:  9.06      L.S. refinement
  => Conventional Rietveld R-factors for Pattern:  1
- => Rp:  15.5     Rwp:  17.9     Rexp:    4.63 Chi2:  15.0    
- => Deviance:  0.648E+05     Dev*  :   21.64    
- => DW-Stat.:    0.2435     DW-exp:     1.8974
- => N-sigma of the GoF:      541.296
+ => Rp:  12.1     Rwp:  13.9     Rexp:    4.62 Chi2:  9.06    
+ => Deviance:  0.355E+05     Dev*  :   11.88    
+ => DW-Stat.:    0.3585     DW-exp:     1.8863
+ => N-sigma of the GoF:      311.690
 
- => Global user-weigthed Chi2 (Bragg contrib.):   15.0    
+ => Global user-weigthed Chi2 (Bragg contrib.):   9.09    
 
      -----------------------------------------------------
      BRAGG R-Factors and weight fractions for Pattern #  1
      -----------------------------------------------------
 
  => Phase:  1     nuclear
- => Bragg R-factor:   4.29       Vol:   71.830( 0.000)  Fract(%):  100.00( 0.56)
- => Rf-factor=  2.30             ATZ:         203.711   Brindley:  1.0000
-
-
-       ----------------------------------------------------
-       -    ANALYSIS OF THE REFINEMENT FOR PATTERN #  1   -
-       ----------------------------------------------------
-
-
- => GLOBAL INDICATORS:
-
-    The first and last reflections appears at:
-    2theta(degrees)/T.O.F(microsecs)/Energy(KeV) =>         22.527       155.176
-    s (angstroms-1) =>     0.2406    1.2028
-    D (angstroms  ) =>     4.1569    0.8314
-    sin(theta/lamb) =>     0.1203    0.6014
-    Q (angstroms-1) =>     3.0230   15.1151
-
-    The average FWHM is:   0.5922  Fwhm(av)/step =  11.8481
-
- => Sum(Yiobs-Yical):    15005.76   39803.15   17015.02    8062.39 <- Four regions
-            Total ->     79886.32
-
-  Expected Rp (background uncorrected):     1.87 Observed->     7.80
-  Expected cRp(background   corrected):     3.73 Observed->    15.54
-  -> Ratio Rp/Exp=cRp/cExp:     4.17
-  Weighted Average Bragg R-factor:     4.29
-  Weighted Average      RF-factor:     2.30
-  Reduced Chi-square :    14.99
-
- => Total number of "independent" reflections:     26
-    Effective number (account for resolution) of reflections: 
-                      at level p=1.00  :  22.0
-                      at level p=0.50  :  22.0
-                      at level p=0.25  :  22.0
-
-    A reflection contributes as x/(x+nearest), where "x"  
-    is the fraction of the total area of the current phase and 
-   "nearest" is the number of adjacent reflections verifying the formula:
-
-    Postn-p*FWHM <= Postn(adjacent) <= Postn+p*FWHM 
-
-   "nearest" is weighted by the corresponding "x(s)" 
-
- =>             Number of global  refined parameters:      9
-                Number of profile refined parameters:      5
-    Number of intensity-affecting refined parameters:      2
-      (Preferred orientation belongs to this class)   
-
- => (Effective Number of reflections)/(Number of intensity parameters)= refni
-      Ratio ( Optimistic view,p=0.25):   11.0
-      Ratio (Pessimistic view,p=1.00):   11.0
-      Ratio (   Eclectic view,p=0.50):   11.0
-
- => PHASE DEPENDENT INDICATORS:
-
- => Positions and FWHM of the sharpest reflection
-
-     Phase  2Theta/TOF  FWHM     Q       DQ      Delta   Dd/d(%)
-
-       1     121.74   0.4011   6.7597  0.01318  0.14434  0.195
-
-   Q ,DQ(FWHM in Q-space) and Delta are given in 1/angstroms
- Delta is the expected step between consecutive reflections at Q
-
- Phase    %Cont  Nintdp  Nprofp   Nref      Enref(Effective)
-                                         R:p=1  R:p=1/2  R:p=1/4
-     1  100.00       2       5      26   22.00   22.00   22.00
-                                         11.00   11.00   11.00
-  Where:
-  %Cont: percentage of the total integrated intensity (100x)
- Nintdp: Number of intensity-affecting refined parameters
- Nprofp: Number of profile refined parameters
-   Nref: Number "independent" contributing reflections
-  Enref: Effective Number of reflections for each p-value
-R:p=1/n: Ratio Enref(Effective)/Nintdp <- "Solvability Index" 
-
-
- => ANALYSIS OF STANDARD DEVIATIONS
-
-    Phase:  1 Degrees of freedom for p=1, 1/2, 1/4:            20.00           20.00           20.00
-              Chi2 based on integrated intensities:           192.52          192.52          192.52
-              Calculated with Scott'S FORMULA     :  2094.85 2094.85 2094.85
-
- => Standard deviations concern the PRECISION of parameters and
-    represent ACCURACY only if there is no systematic errors
-    A better estimate of the accuracy of structural parameters
-    is obtained multiplying sigmas by the parameter SCOR
- -> SCOR =   3.3300 { Berar'S FORMULA}
- -> SCOR =   3.4421 {Pawley'S FORMULA}
- -> Application of modified Scott'S FORMULA
-    SCOR(p=1,1/2,1/4) =             3.58            3.58            3.58
-    SCOR(expected Si) =      11.8206     11.8206     11.8206
-   Warning! Do not take into account Scott'S SCOR
-            These indicators are under test....
-
- => ANALYSIS OF CORRELATED PARAMETERS 
-
-  -> The number of correlated parameters is :   0
-
- => WARNING!:
-  Reduced Chi-square  TOO HIGH, the model is probably good but
-  the residuals are dominated by systematic errors in profile.
+ => Bragg R-factor:   3.51       Vol:   71.830( 0.000)  Fract(%):  100.00( 0.00)
+ => Rf-factor=  2.14             ATZ:         203.711   Brindley:  1.0000
 
  
-              CPU Time:     0.191 seconds
-                            0.003 minutes
+              CPU Time:     0.602 seconds
+                            0.010 minutes
 
- => Run finished at:     Date: 08/06/2026  Time: 14:22:23.441                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:02.322                              
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A1.fst b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A1.fst
index 42066cd1e..f9210456f 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A1.fst
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A1.fst
@@ -4,4 +4,4 @@ SPACEG P m -3 m
 CELL     4.156885    4.156885    4.156885  90.0000  90.0000  90.0000   DISPLAY MULTIPLE
 BOX   -0.15  1.15   -0.15  1.15    -0.15  1.15 
 ATOM La      La       0.00000   0.00000   0.00000  
-ATOM B       B        0.19972   0.50000   0.50000  
+ATOM B       B        0.19978   0.50000   0.50000  
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A1.sub b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A1.sub
index d2654e1f6..26a531252 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A1.sub
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A1.sub
@@ -1,3195 +1,3195 @@
 ! Phase No.:   1 nuclear                       
-      4.599954        0.0000
-      4.649889        0.0000
-      4.699824        0.0000
-      4.749580        0.0000
-      4.799485        0.0000
-      4.849460        0.0000
-      4.899236        0.0000
-      4.949151        0.0000
-      4.998996        0.0000
-      5.048831        0.0000
-      5.098647        0.0000
-      5.148492        0.0000
-      5.198428        0.0000
-      5.248283        0.0000
-      5.298129        0.0000
-      5.347794        0.0000
-      5.397769        0.0000
-      5.447725        0.0000
-      5.497520        0.0000
-      5.550250        0.0000
-      5.600245        0.0000
-      5.650210        0.0000
-      5.700215        0.0000
-      5.750061        0.0000
-      5.799916        0.0000
-      5.849872        0.0000
-      5.899807        0.0000
-      5.949742        0.0000
-      5.999498        0.0000
-      6.049414        0.0000
-      6.099389        0.0000
-      6.149164        0.0000
-      6.199069        0.0000
-      6.248925        0.0000
-      6.298751        0.0000
-      6.348567        0.0000
-      6.398413        0.0000
-      6.448348        0.0000
-      6.498214        0.0000
-      6.548049        0.0000
-      6.597715        0.0000
-      6.647691        0.0000
-      6.697646        0.0000
-      6.747442        0.0000
-      6.792737        0.0000
-      6.842732        0.0000
-      6.892708        0.0000
-      6.942703        0.0000
-      6.992549        0.0000
-      7.042415        0.0000
-      7.092371        0.0000
-      7.142306        0.0000
-      7.192242        0.0000
-      7.241988        0.0000
-      7.291903        0.0000
-      7.341879        0.0000
-      7.391655        0.0000
-      7.441571        0.0000
-      7.491416        0.0000
-      7.541243        0.0000
-      7.591059        0.0000
-      7.640914        0.0000
-      7.690850        0.0000
-      7.740706        0.0000
-      7.790542        0.0000
-      7.840209        0.0000
-      7.890194        0.0000
-      7.940150        0.0000
-      7.989945        0.0000
-      8.046159        0.0000
-      8.096164        0.0000
-      8.146130        0.0000
-      8.196126        0.0000
-      8.245982        0.0000
-      8.295837        0.0000
-      8.345794        0.0000
-      8.395729        0.0000
-      8.445664        0.0000
-      8.495421        0.0000
-      8.545328        0.0000
-      8.595303        0.0000
-      8.645080        0.0000
-      8.694996        0.0000
-      8.744842        0.0000
-      8.794678        0.0000
-      8.844494        0.0000
-      8.894341        0.0000
-      8.944276        0.0000
-      8.994132        0.0000
-      9.043979        0.0000
-      9.093645        0.0000
-      9.143621        0.0000
-      9.193578        0.0000
-      9.243374        0.0000
-      9.296103        0.0000
-      9.346100        0.0000
-      9.396066        0.0000
-      9.446072        0.0000
-      9.495918        0.0000
-      9.545774        0.0000
-      9.595731        0.0000
-      9.645667        0.0000
-      9.695603        0.0000
-      9.745359        0.0000
-      9.795277        0.0000
-      9.845252        0.0000
-      9.895028        0.0000
-      9.944934        0.0000
-      9.994791        0.0000
-     10.044618        0.0000
-     10.094435        0.0000
-     10.144280        0.0000
-     10.194217        0.0000
-     10.244083        0.0000
-     10.293920        0.0000
-     10.343587        0.0000
-     10.393562        0.0000
-     10.443520        0.0000
-     10.493316        0.0000
-     10.548292        0.0000
-     10.598289        0.0000
-     10.648264        0.0000
-     10.698261        0.0000
-     10.748107        0.0000
-     10.797975        0.0000
-     10.847930        0.0000
-     10.897867        0.0000
-     10.947803        0.0000
-     10.997550        0.0000
-     11.047466        0.0000
-     11.097444        0.0000
-     11.147221        0.0000
-     11.197137        0.0000
-     11.246984        0.0000
-     11.296810        0.0000
-     11.346626        0.0000
-     11.396483        0.0000
-     11.446421        0.0000
-     11.496277        0.0000
-     11.546114        0.0000
-     11.595781        0.0000
-     11.645767        0.0000
-     11.695724        0.0000
-     11.745522        0.0000
-     11.795149        0.0000
-     11.845155        0.0000
-     11.895122        0.0000
-     11.945119        0.0000
-     11.994976        0.0000
-     12.044832        0.0000
-     12.094789        0.0000
-     12.144726        0.0000
-     12.194663        0.0000
-     12.244420        0.0000
-     12.294327        0.0000
-     12.344303        0.0000
-     12.394081        0.0000
-     12.443996        0.0000
-     12.493844        0.0000
-     12.543682        0.0000
-     12.593499        0.0000
-     12.643346        0.0000
-     12.693283        0.0000
-     12.743140        0.0000
-     12.792987        0.0000
-     12.842654        0.0000
-     12.892631        0.0000
-     12.942588        0.0000
-     12.992385        0.0000
-     13.031645        0.0000
-     13.081641        0.0000
-     13.131608        0.0000
-     13.181615        0.0000
-     13.231462        0.0000
-     13.281320        0.0000
-     13.331277        0.0000
-     13.381214        0.0000
-     13.431150        0.0000
-     13.480907        0.0000
-     13.530826        0.0000
-     13.580803        0.0000
-     13.630580        0.0000
-     13.680487        0.0000
-     13.730345        0.0000
-     13.780171        0.0000
-     13.829989        1.0604
-     13.879837        1.0726
-     13.929773        1.0850
-     13.979642        1.0976
-     14.029479        1.1105
-     14.079146        1.1235
-     14.129124        1.1368
-     14.179082        1.1503
-     14.228879        1.1641
-     14.283506        1.1794
-     14.333504        1.1937
-     14.383481        1.2083
-     14.433478        1.2232
-     14.483326        1.2383
-     14.533193        1.2537
-     14.583151        1.2694
-     14.633088        1.2853
-     14.683026        1.3016
-     14.732773        1.3182
-     14.782691        1.3351
-     14.832667        1.3523
-     14.882445        1.3698
-     14.932364        1.3878
-     14.982212        1.4060
-     15.032039        1.4246
-     15.081857        1.4436
-     15.131715        1.4629
-     15.181652        1.4827
-     15.231509        1.5029
-     15.281347        1.5234
-     15.331016        1.5443
-     15.381003        1.5658
-     15.430961        1.5877
-     15.480759        1.6101
-     15.536974        1.6358
-     15.586981        1.6593
-     15.636949        1.6832
-     15.686947        1.7076
-     15.736804        1.7326
-     15.786662        1.7580
-     15.836619        1.7841
-     15.886558        1.8108
-     15.936496        1.8381
-     15.986254        1.8659
-     16.036161        1.8944
-     16.086149        1.9236
-     16.135918        1.9534
-     16.185835        1.9839
-     16.235683        2.0151
-     16.285521        2.0471
-     16.335340        2.0798
-     16.385187        2.1133
-     16.435125        2.1477
-     16.484983        2.1829
-     16.534832        2.2190
-     16.584501        2.2558
-     16.634478        2.2938
-     16.684437        2.3327
-     16.734234        2.3725
-     16.768553        2.4005
-     16.818552        2.4423
-     16.868519        2.4851
-     16.918528        2.5290
-     16.968378        2.5740
-     17.018234        2.6202
-     17.068193        2.6678
-     17.118130        2.7166
-     17.168070        2.7668
-     17.217829        2.8183
-     17.267744        2.8713
-     17.317724        2.9259
-     17.367502        2.9818
-     17.417410        3.0395
-     17.467268        3.0989
-     17.517097        3.1599
-     17.566916        3.2228
-     17.616764        3.2876
-     17.666702        3.3545
-     17.716572        3.4233
-     17.766411        3.4943
-     17.816078        3.5672
-     17.866056        3.6429
-     17.916016        3.7210
-     17.965815        3.8013
-     18.002928        3.8629
-     18.052927        3.9483
-     18.102903        4.0365
-     18.152903        4.1277
-     18.202751        4.2217
-     18.252621        4.3190
-     18.302580        4.4199
-     18.352516        4.5244
-     18.402454        4.6325
-     18.452204        4.7442
-     18.502123        4.8603
-     18.552101        4.9808
-     18.601881        5.1054
-     18.651798        5.2351
-     18.701647        5.3696
-     18.751476        5.5092
-     18.801294        5.6543
-     18.851152        5.8054
-     18.901093        5.9628
-     18.950951        6.1264
-     19.000790        6.2967
-     19.050459        6.4736
-     19.100449        6.6593
-     19.150406        6.8529
-     19.200205        7.0543
-     19.245245        7.2443
-     19.295254        7.4642
-     19.345222        7.6941
-     19.395222        7.9349
-     19.445080        8.1864
-     19.494938        8.4501
-     19.544897        8.7271
-     19.594837        9.0178
-     19.644775        9.3232
-     19.694534        9.6431
-     19.744444        9.9808
-     19.794432       10.3369
-     19.844202       10.7106
-     19.894119       11.1061
-     19.943979       11.5233
-     19.993809       11.9639
-     20.043627       12.4300
-     20.093477       12.9240
-     20.143417       13.4488
-     20.193275       14.0050
-     20.243124       14.5961
-     20.292793       15.2227
-     20.342772       15.8945
-     20.392731       16.6110
-     20.442532       17.3741
-     20.508589       18.4692
-     20.558588       19.3677
-     20.608557       20.3320
-     20.658566       21.3701
-     20.708414       22.4850
-     20.758272       23.6887
-     20.808233       24.9932
-     20.858173       26.4067
-     20.908112       27.9429
-     20.957870       29.6111
-     21.007792       31.4427
-     21.057770       33.4617
-     21.107550       35.6942
-     21.157457       38.2112
-     21.207319       41.0938
-     21.257147       44.4882
-     21.306967       48.6351
-     21.356817       53.9333
-     21.406755       61.0363
-     21.456625       70.9408
-     21.506466       85.2193
-     21.556135      106.1490
-     21.606115      137.3783
-     21.656075      183.5887
-     21.705873      251.0054
-     21.766342      373.5173
-     21.816343      520.7589
-     21.866322      722.3497
-     21.916321      991.3120
-     21.966171     1338.7687
-     22.016041     1775.8218
-     22.066000     2309.3667
-     22.115940     2938.3308
-     22.165878     3654.3838
-     22.215630     4436.2949
-     22.265549     5261.4756
-     22.315529     6090.7153
-     22.365309     6874.7222
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diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.bac b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.bac
new file mode 100644
index 000000000..e7e4c2fed
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.bac
@@ -0,0 +1,3195 @@
+!  Background of: ECH0030684_LaB6_1p622A_noAbs                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                    
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+      154.2015      857.8284
+      154.2515      857.5562
+      154.3016      857.2823
+      154.3516      857.0073
+      154.4016      856.7314
+      154.4515      856.4553
+      154.5015      856.1771
+      154.5516      855.8977
+      154.6015      855.6182
+      154.6515      855.3368
+      154.7014      855.0544
+      154.7514      854.7714
+      154.8013      854.4870
+      154.8513      854.2017
+      154.9013      853.9144
+      154.9513      853.6266
+      155.0012      853.3378
+      155.0510      853.0489
+      155.1011      852.7568
+      155.1511      852.4639
+      155.2010      852.1707
+      155.2536      851.8608
+      155.3037      851.5641
+      155.3538      851.2666
+      155.4039      850.9678
+      155.4538      850.6684
+      155.5038      850.3682
+      155.5539      850.0660
+      155.6039      849.7630
+      155.6539      849.4587
+      155.7038      849.1543
+      155.7538      848.8480
+      155.8039      848.5399
+      155.8538      848.2322
+      155.9038      847.9220
+      155.9537      847.6115
+      156.0037      847.2997
+      156.0536      846.9869
+      156.1035      846.6729
+      156.1536      846.3569
+      156.2036      846.0403
+      156.2535      845.7228
+      156.3033      845.4052
+      156.3533      845.0842
+      156.4034      844.7623
+      156.4533      844.4402
+      156.5022      844.1237
+      156.5523      843.7981
+      156.6024      843.4715
+      156.6525      843.1433
+      156.7024      842.8152
+      156.7524      842.4857
+      156.8024      842.1544
+      156.8525      841.8218
+      156.9025      841.4882
+      156.9524      841.1546
+      157.0024      840.8187
+      157.0525      840.4813
+      157.1024      840.1439
+      157.1524      839.8046
+      157.2023      839.4644
+      157.2523      839.1229
+      157.3022      838.7805
+      157.3521      838.4367
+      157.4022      838.0910
+      157.4521      837.7446
+      157.5021      837.3972
+      157.5518      837.0499
+      157.6019      836.6989
+      157.6520      836.3470
+      157.7019      835.9950
+      157.7405      835.7220
+      157.7906      835.3664
+      157.8407      835.0098
+      157.8908      834.6516
+      157.9407      834.2934
+      157.9907      833.9337
+      158.0407      833.5724
+      158.0908      833.2097
+      158.1408      832.8458
+      158.1907      832.4822
+      158.2407      832.1160
+      158.2908      831.7480
+      158.3407      831.3804
+      158.3907      831.0105
+      158.4406      830.6398
+      158.4906      830.2681
+      158.5405      829.8950
+      158.5904      829.5206
+      158.6405      829.1443
+      158.6904      828.7673
+      158.7404      828.3890
+      158.7901      828.0110
+      158.8402      827.6291
+      158.8903      827.2463
+      158.9402      826.8634
+      158.9943      826.4470
+      159.0444      826.0598
+      159.0945      825.6716
+      159.1446      825.2820
+      159.1945      824.8921
+      159.2445      824.5009
+      159.2945      824.1077
+      159.3446      823.7135
+      159.3946      823.3177
+      159.4445      822.9224
+      159.4945      822.5243
+      159.5446      822.1245
+      159.5945      821.7249
+      159.6445      821.3229
+      159.6944      820.9204
+      159.7444      820.5165
+      159.7943      820.1112
+      159.8442      819.7048
+      159.8943      819.2961
+      159.9442      818.8868
+      159.9942      818.4762
+      160.0439      818.0659
+      160.0940      817.6517
+      160.1441      817.2363
+      160.1940      816.8210
+      160.2527      816.3302
+      160.3028      815.9105
+      160.3529      815.4895
+      160.4030      815.0667
+      160.4530      814.6442
+      160.5029      814.2202
+      160.5530      813.7939
+      160.6030      813.3665
+      160.6531      812.9376
+      160.7029      812.5090
+      160.7529      812.0781
+      160.8030      811.6445
+      160.8529      811.2120
+      160.9029      810.7767
+      160.9529      810.3406
+      161.0028      809.9035
+      161.0527      809.4648
+      161.1027      809.0249
+      161.1527      808.5826
+      161.2027      808.1396
+      161.2526      807.6956
+      161.3024      807.2515
+      161.3525      806.8037
+      161.4025      806.3542
+      161.4524      805.9052
+      161.5085      805.3990
+      161.5586      804.9452
+      161.6086      804.4902
+      161.6588      804.0334
+      161.7087      803.5767
+      161.7587      803.1186
+      161.8087      802.6581
+      161.8588      802.1965
+      161.9088      801.7334
+      161.9587      801.2708
+      162.0087      800.8049
+      162.0588      800.3374
+      162.1086      799.8704
+      162.1587      799.4006
+      162.2086      798.9299
+      162.2585      798.4584
+      162.3085      797.9852
+      162.3584      797.5104
+      162.4085      797.0333
+      162.4584      796.5558
+      162.5084      796.0767
+      162.5581      795.5984
+      162.6082      795.1151
+      162.6583      794.6308
+      162.7082      794.1467
+      162.7682      793.5628
+      162.8183      793.0734
+      162.8683      792.5833
+      162.9184      792.0908
+      162.9684      791.5989
+      163.0184      791.1053
+      163.0684      790.6093
+      163.1185      790.1122
+      163.1685      789.6134
+      163.2184      789.1151
+      163.2684      788.6139
+      163.3185      788.1104
+      163.3683      787.6077
+      163.4184      787.1019
+      163.4683      786.5955
+      163.5182      786.0878
+      163.5682      785.5786
+      163.6181      785.0680
+      163.6682      784.5548
+      163.7181      784.0411
+      163.7681      783.5259
+      163.8178      783.0111
+      163.8679      782.4917
+      163.9180      781.9709
+      163.9679      781.4505
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.cif b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.cif
new file mode 100644
index 000000000..42cb3461a
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.cif
@@ -0,0 +1,508 @@
+##############################################################################
+###      FullProf-generated CIF output file  (version: May 2019)           ###
+###      Template of CIF submission form for structure report              ###
+##############################################################################
+ 
+# This file has been generated using FullProf.2k taking one example of 
+# structure report provided by Acta Cryst. It is given as a 'template' with 
+# filled structural items. Many other items are left unfilled and it is the  
+# responsibility of the user to properly fill or suppress them. In principle 
+# all question marks '?' should be replaced by the appropriate text or 
+# numerical value depending on the kind of CIF item. 
+# See the document: cif_core.dic (URL: http://www.iucr.org) for details. 
+ 
+# Please notify any error or suggestion to: 
+#           Juan Rodriguez-Carvajal (jrc@ill.eu)
+# Improvements will be progressively added as needed.
+#      Date: 09/06/2026  Time: 12:42:01.461
+ 
+ 
+#=============================================================================
+ data_global
+#=============================================================================
+ 
+_audit_creation_date  09/06/2026  
+_audit_creation_method  "FullProf Suite"
+# PROCESSING SUMMARY (IUCr Office Use Only)
+ 
+_journal_data_validation_number      ?
+ 
+_journal_date_recd_electronic        ?
+_journal_date_to_coeditor            ?
+_journal_date_from_coeditor          ?
+_journal_date_accepted               ?
+_journal_date_printers_first         ?
+_journal_date_printers_final         ?
+_journal_date_proofs_out             ?
+_journal_date_proofs_in              ?
+_journal_coeditor_name               ?
+_journal_coeditor_code               ?
+_journal_coeditor_notes
+; ?
+;
+_journal_techeditor_code             ?
+_journal_techeditor_notes
+; ?
+;
+_journal_coden_ASTM                  ?
+_journal_name_full                   ?
+_journal_year                        ?
+_journal_volume                      ?
+_journal_issue                       ?
+_journal_page_first                  ?
+_journal_page_last                   ?
+_journal_paper_category              ?
+_journal_suppl_publ_number           ?
+_journal_suppl_publ_pages            ?
+ 
+#=============================================================================
+ 
+# 1. SUBMISSION DETAILS
+ 
+_publ_contact_author_name            ?  # Name of author for correspondence
+_publ_contact_author_address            # Address of author for correspondence
+; ?
+;
+_publ_contact_author_email           ?
+_publ_contact_author_fax             ?
+_publ_contact_author_phone           ?
+ 
+_publ_contact_letter
+; ?
+;
+ 
+_publ_requested_journal              ?
+_publ_requested_coeditor_name        ?
+_publ_requested_category             ?   # Acta C: one of CI/CM/CO/FI/FM/FO
+ 
+ 
+# Definition of non standard CIF items (Reliability indices used in FULLPROF) 
+ 
+loop_ 
+_publ_manuscript_incl_extra_item
+_publ_manuscript_incl_extra_info
+_publ_manuscript_incl_extra_defn
+#      Name                               Explanation                 Standard?
+#     ------                              -----------                 ---------
+ '_pd_proc_ls_prof_cR_factor'    'Prof. R-factor CORRECTED for background'   no
+ '_pd_proc_ls_prof_cwR_factor'   'wProf.R-factor CORRECTED for background'   no
+ '_pd_proc_ls_prof_cwR_expected' 'wProf.Expected CORRECTED for background'   no
+ '_pd_proc_ls_prof_chi2'         'Chi-square for all considered points'      no
+ '_pd_proc_ls_prof_echi2'        'Chi-2 for points with Bragg contribution'  no
+#=============================================================================
+ 
+# 3. TITLE AND AUTHOR LIST
+ 
+_publ_section_title
+; ' LaB6 Ge(331)'
+;
+_publ_section_title_footnote
+;
+;
+ 
+# The loop structure below should contain the names and addresses of all 
+# authors, in the required order of publication. Repeat as necessary.
+ 
+loop_
+    _publ_author_name
+    _publ_author_footnote
+    _publ_author_address
+?                                   #<--'Last name, first name' 
+; ?
+;
+; ?
+;
+ 
+#=============================================================================
+ 
+# 4. TEXT
+ 
+_publ_section_synopsis
+;  ?
+;
+_publ_section_abstract
+; ?
+;          
+_publ_section_comment
+; ?
+;
+_publ_section_exptl_prep      # Details of the preparation of the sample(s)
+                              # should be given here. 
+; ?
+;
+_publ_section_exptl_refinement
+; ?
+;
+_publ_section_references
+; ?
+;
+_publ_section_figure_captions
+; ?
+;
+_publ_section_acknowledgements
+; ?
+;
+ 
+#=============================================================================
+ 
+#=============================================================================
+# If more than one structure is reported, the remaining sections should be 
+# completed per structure. For each data set, replace the '?' in the
+# data_? line below by a unique identifier.
+ 
+data_nuclear 
+ 
+#=============================================================================
+ 
+# 5. CHEMICAL DATA
+ 
+_chemical_name_systematic
+; ?
+;
+_chemical_name_common             ?
+_chemical_formula_moiety          ?
+_chemical_formula_structural      ?
+_chemical_formula_analytical      ?
+_chemical_formula_iupac           ?
+_chemical_formula_sum             ?
+_chemical_formula_weight          ?
+_chemical_melting_point           ?
+_chemical_compound_source         ?       # for minerals and 
+                                          # natural products
+ 
+loop_
+    _atom_type_symbol               
+    _atom_type_scat_length_neutron      
+    _atom_type_scat_source          
+La     0.82400 V.F._Sears_Neutron_News_3_26_(1992)
+B11    0.66500 V.F._Sears_Neutron_News_3_26_(1992)
+ 
+#=============================================================================
+ 
+# 6. POWDER SPECIMEN AND CRYSTAL DATA
+ 
+_symmetry_cell_setting                Cubic
+_symmetry_space_group_name_H-M       'P m -3 m'
+_symmetry_space_group_name_Hall      '-P 4 2 3'
+ 
+loop_
+    _symmetry_equiv_pos_as_xyz
+'x,y,z'
+'x,-y,-z'
+'-x,y,-z'
+'-x,-y,z'
+'y,z,x'
+'-y,-z,x'
+'y,-z,-x'
+'-y,z,-x'
+'z,x,y'
+'-z,x,-y'
+'-z,-x,y'
+'z,-x,-y'
+'y,x,z'
+'-y,x,-z'
+'y,-x,-z'
+'-y,-x,z'
+'z,y,x'
+'-z,-y,x'
+'-z,y,-x'
+'z,-y,-x'
+'x,z,y'
+'x,-z,-y'
+'-x,-z,y'
+'-x,z,-y'
+'-x,-y,-z'
+'-x,y,z'
+'x,-y,z'
+'x,y,-z'
+'-y,-z,-x'
+'y,z,-x'
+'-y,z,x'
+'y,-z,x'
+'-z,-x,-y'
+'z,-x,y'
+'z,x,-y'
+'-z,x,y'
+'-y,-x,-z'
+'y,-x,z'
+'-y,x,z'
+'y,x,-z'
+'-z,-y,-x'
+'z,y,-x'
+'z,-y,x'
+'-z,y,x'
+'-x,-z,-y'
+'-x,z,y'
+'x,z,-y'
+'x,-z,y'
+ 
+_cell_length_a                       4.15689
+_cell_length_b                       4.15689
+_cell_length_c                       4.15689
+_cell_angle_alpha                    90.0000
+_cell_angle_beta                     90.0000
+_cell_angle_gamma                    90.0000
+_cell_volume                         71.8297
+_cell_formula_units_Z                ?
+_cell_measurement_temperature        ?
+_cell_special_details
+; ?
+;
+# The next three fields give the specimen dimensions in mm.  The equatorial
+# plane contains the incident and diffracted beam.
+ 
+_pd_spec_size_axial               ?       # perpendicular to 
+                                          # equatorial plane
+_pd_spec_size_equat               ?       # parallel to 
+                                          # scattering vector
+                                          # in transmission
+_pd_spec_size_thick               ?       # parallel to 
+                                          # scattering vector
+                                          # in reflection
+ 
+# The next five fields are character fields that describe the specimen.
+ 
+_pd_spec_mounting                         # This field should be
+                                          # used to give details of the 
+                                          # container.
+; ?
+;
+_pd_spec_mount_mode               ?       # options are 'reflection'
+                                          # or 'transmission'
+_pd_spec_shape                    ?       # options are 'cylinder' 
+                                          # 'flat_sheet' or 'irregular'
+_pd_char_particle_morphology      ?
+_pd_char_colour                   ?       # use ICDD colour descriptions
+ 
+# The following three fields describe the preparation of the specimen.
+# The cooling rate is in K/min.  The pressure at which the sample was 
+# prepared is in kPa.  The temperature of preparation is in K.        
+ 
+_pd_prep_cool_rate                ?
+_pd_prep_pressure                 ?
+_pd_prep_temperature              ?
+ 
+# The next four fields are normally only needed for transmission experiments.
+ 
+_exptl_absorpt_coefficient_mu        ?
+_exptl_absorpt_correction_type       ?
+_exptl_absorpt_process_details       ?
+_exptl_absorpt_correction_T_min      ?
+_exptl_absorpt_correction_T_max      ?
+ 
+#=============================================================================
+ 
+# 7. EXPERIMENTAL DATA
+ 
+_exptl_special_details
+; ?
+;
+ 
+# The following item is used to identify the equipment used to record 
+# the powder pattern when the diffractogram was measured at a laboratory 
+# other than the authors' home institution, e.g. when neutron or synchrotron
+# radiation is used.
+ 
+_pd_instr_location
+; ?
+;
+_pd_calibration_special_details           # description of the method used
+                                          # to calibrate the instrument
+; ?
+;
+ 
+_diffrn_ambient_temperature          ?
+_diffrn_source           'nuclear reactor' 
+_diffrn_radiation_type   'Constant Wavelength Neutron Diffraction' 
+_diffrn_radiation_wavelength           1.62253
+_diffrn_source_type      ?  # Put here the diffractometer and site
+ 
+_diffrn_radiation_monochromator      ?
+_diffrn_measurement_device_type      ?
+_diffrn_measurement_method           ?
+_diffrn_detector_area_resol_mean     ? 
+_diffrn_detector                     ?
+_diffrn_detector_type                ? # make or model of detector
+_pd_meas_scan_method      ?   # options are 'step', 'cont',
+                              # 'tof', 'fixed' or
+                              # 'disp' (= dispersive)
+_pd_meas_special_details
+;  ?
+;
+ 
+#  The following four items give details of the measured (not processed)
+#  powder pattern.  Angles are in degrees.
+ 
+_pd_meas_number_of_points         3194
+_pd_meas_2theta_range_min         4.16422
+_pd_meas_2theta_range_max         163.75638
+_pd_meas_2theta_range_inc         0.049998
+ 
+#=============================================================================
+ 
+# 8. REFINEMENT DATA
+ 
+_refine_special_details
+; ?
+;
+ 
+# Use the next field to give any special details about the fitting of the
+# powder pattern.
+ 
+_pd_proc_ls_special_details
+; ?
+;
+ 
+# The next three items are given as text.
+ 
+_pd_proc_ls_profile_function      ?
+_pd_proc_ls_background_function   ?
+_pd_proc_ls_pref_orient_corr
+; ?
+;
+ 
+#  The following profile R-factors are NOT CORRECTED for background
+#  The sum is extended to all non-excluded points.
+#  These are the current CIF standard
+ 
+_pd_proc_ls_prof_R_factor                6.1208
+_pd_proc_ls_prof_wR_factor               8.1933
+_pd_proc_ls_prof_wR_expected             2.7567
+ 
+#  The following profile R-factors are CORRECTED for background
+#  The sum is extended to all non-excluded points.
+#  These items are not in the current CIF standard, but are defined above
+ 
+_pd_proc_ls_prof_cR_factor               12.1533
+_pd_proc_ls_prof_cwR_factor              13.9377
+_pd_proc_ls_prof_cwR_expected             4.6895
+ 
+#  The following items are not in the CIF standard, but are defined above
+ 
+_pd_proc_ls_prof_chi2                 8.8334
+_pd_proc_ls_prof_echi2                9.0588
+ 
+#  Items related to LS refinement
+ 
+_refine_ls_R_I_factor                 3.5031
+_refine_ls_number_reflns                    28
+_refine_ls_number_parameters                 0
+_refine_ls_number_restraints                 0
+ 
+# The following four items apply to angular dispersive measurements.
+# 2theta minimum, maximum and increment (in degrees) are for the 
+# intensities used in the refinement.
+ 
+_pd_proc_2theta_range_min                4.3757
+_pd_proc_2theta_range_max              163.9679
+_pd_proc_2theta_range_inc              0.049998
+_pd_proc_wavelength                    1.622528
+ 
+_pd_block_diffractogram_id        ?  # The id used for the block containing
+                                     # the powder pattern profile (section 11)
+ 
+# Give appropriate details in the next two text fields.
+ 
+_pd_proc_info_excluded_regions    ?
+_pd_proc_info_data_reduction      ?
+ 
+# The following items are used to identify the programs used.
+ 
+_computing_data_collection           ?
+_computing_structure_solution        ?
+_computing_structure_refinement      FULLPROF
+_computing_molecular_graphics        ?
+_computing_publication_material      ?
+ 
+#=============================================================================
+ 
+# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
+ 
+loop_
+    _atom_site_label
+    _atom_site_fract_x
+    _atom_site_fract_y
+    _atom_site_fract_z
+    _atom_site_U_iso_or_equiv
+    _atom_site_occupancy
+    _atom_site_adp_type
+    _atom_site_type_symbol
+ La  0.00000  0.00000  0.00000  0.00408  1.00000 Uiso La    
+ B  0.19978  0.50000  0.50000  0.00214  1.00016 Uiso B11   
+ 
+# Note: if the displacement parameters were refined anisotropically
+# the U matrices should be given as for single-crystal studies.
+ 
+#=============================================================================
+ 
+# 10. DISTANCES AND ANGLES / MOLECULAR GEOMETRY 
+ 
+_geom_special_details                ?
+ 
+loop_
+    _geom_bond_atom_site_label_1  
+    _geom_bond_atom_site_label_2  
+    _geom_bond_site_symmetry_1    
+    _geom_bond_site_symmetry_2    
+    _geom_bond_distance           
+    _geom_bond_publ_flag          
+    ?   ?   ?   ?   ?   ?
+ 
+loop_
+    _geom_contact_atom_site_label_1 
+    _geom_contact_atom_site_label_2 
+    _geom_contact_distance          
+    _geom_contact_site_symmetry_1   
+    _geom_contact_site_symmetry_2   
+    _geom_contact_publ_flag         
+    ?   ?   ?   ?   ?   ?
+ 
+loop_
+_geom_angle_atom_site_label_1 
+_geom_angle_atom_site_label_2 
+_geom_angle_atom_site_label_3 
+_geom_angle_site_symmetry_1   
+_geom_angle_site_symmetry_2   
+_geom_angle_site_symmetry_3   
+_geom_angle                   
+_geom_angle_publ_flag         
+?   ?   ?   ?   ?   ?   ?   ?
+ 
+loop_
+_geom_torsion_atom_site_label_1 
+_geom_torsion_atom_site_label_2 
+_geom_torsion_atom_site_label_3 
+_geom_torsion_atom_site_label_4 
+_geom_torsion_site_symmetry_1   
+_geom_torsion_site_symmetry_2   
+_geom_torsion_site_symmetry_3   
+_geom_torsion_site_symmetry_4   
+_geom_torsion                   
+_geom_torsion_publ_flag         
+?   ?   ?   ?   ?   ?   ?   ?   ?   ?
+ 
+loop_
+_geom_hbond_atom_site_label_D 
+_geom_hbond_atom_site_label_H 
+_geom_hbond_atom_site_label_A 
+_geom_hbond_site_symmetry_D   
+_geom_hbond_site_symmetry_H   
+_geom_hbond_site_symmetry_A   
+_geom_hbond_distance_DH       
+_geom_hbond_distance_HA       
+_geom_hbond_distance_DA       
+_geom_hbond_angle_DHA         
+_geom_hbond_publ_flag         
+?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?
+ 
+#=============================================================================
+ 
+#=============================================================================
+# Additional structures (last six sections and associated data_? identifiers) 
+# may be added at this point.                                                 
+#=============================================================================
+ 
+# The following lines are used to test the character set of files sent by     
+# network email or other means. They are not part of the CIF data set.        
+# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789              
+# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./ 
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.dat b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.dat
new file mode 100644
index 000000000..57eb0f9a4
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.dat
@@ -0,0 +1,3200 @@
+     3.86396     128.22   14.70975
+     3.91407     120.02   14.22598
+     3.96414     166.98   16.77884
+     4.01424     135.17   15.05058
+     4.06420     182.87   17.58951
+     4.11416     177.19   17.30471
+     4.16422     249.28   20.60029
+     4.21426     242.77   20.31934
+     4.26430     261.99   21.15273
+     4.31416     374.47   25.40466
+     4.36417     435.31   27.22361
+     4.41425     647.92   33.50702
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+     4.51415     868.33   38.90596
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+     4.61404    1245.94   47.21271
+     4.66396    1161.56   45.48021
+     4.71391    1270.88   47.62860
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+     4.86386    1344.30   49.09494
+     4.91363    1395.56   50.01088
+     4.96371    1418.44   50.58948
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+     5.06367    1533.20   52.68642
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+   163.30675     968.35   61.09286
+   163.35667     961.79   61.49296
+   163.40662     954.64   60.84633
+   163.45666     916.09   59.58318
+   163.50662     981.89   62.79669
+   163.55657     916.63   59.44997
+   163.60634     919.80   60.33181
+   163.65642     972.91   61.70115
+   163.70648    1058.06   64.34230
+   163.75638    1061.08   64.75653
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.out b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.out
new file mode 100644
index 000000000..91092b6e6
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.out
@@ -0,0 +1,692 @@
+
+
+        **********************************************************
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
+        **********************************************************
+                       M U L T I -- P A T T E R N                 
+            Rietveld, Profile Matching & Integrated Intensity     
+                 Refinement of X-ray and/or Neutron Data
+
+
+    Date: 09/06/2026  Time: 12:42:01.107                              
+
+ => PCR file code: ECH0030684_LaB6_1p622A_noAbs
+ => DAT file code: ECH0030684_LaB6_1p62 -> Relative contribution: 1.0000                                                            
+
+ ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
+
+ => Global Refinement of neutron powder data                                                                                        
+ => Title: LaB6 Ge(331)
+
+ => Number of phases:    1
+ => Number of excluded regions:    2
+ => Number of scattering factors supplied:    1
+ => Conventional weights: w=1.0/Variance(yobs)
+ => Asymmetry correction as in J.Appl.Cryst. 26,128(1993)
+ => Background refined by polynomial function
+ => The    7th default profile function was selected
+ => T-C-H Pseudo-Voigt function 
+    This function is convoluted with asymmetry due to axial 
+    divergence as formulated by: 
+    van Laar and Yelon, J. Appl. Cryst. 17, 47(1984).
+    and using the method of:
+    Finger, Cox and Jephcoat, J. Appl. Cryst. 27, 892 (1994).
+    Fortran 90 module adapted from function PROFVAL (in F77) : 
+    L.W. Finger, J. Appl. Cryst. 31, 111 (1998).
+
+
+ ==> INPUT/OUTPUT OPTIONS:
+
+ => Output Obs and Calc intensities on last cycle
+ => Generate bacground file *.bac
+ => Generate file *.PRF for plot
+ => Output Integrated Intensities
+ => Generate new input file *.PCR
+
+ => X-Y type of data: 2theta/TOF/E(Kev) Intens sigma for pattern:  1
+ => Plot pattern at each cycle
+ => Wavelengths:  1.62253 1.62253
+ => Alpha2/Alpha1 ratio:   0.0000
+ => Cos(Monochromator angle)=   0.0000
+ => Asymmetry correction for angles lower than  180.000 degrees
+ => Absorption correction (AC), muR-eff =   0.0000  0.0000
+ => Base of peaks: 2.0*HW*   12.00
+
+ => Number of cycles:  200
+ => Relaxation factors ==>    for coordinates:  0.04
+ => for anisotropic temperature factors:  0.04
+ => for halfwidth/strain/size/further parameters:  0.04
+ => for lattice constants and propagation vectors:  0.04
+ => EPS-value for convergence:    0.1
+
+ => Excluded regions for Pattern#  1
+    From     to
+      0.0000     10.0000
+    164.0000    180.0000
+
+ => Scattering lengths (real & imaginary parts) ==>
+    For B11    0.665000  0.000000
+ => Number of Least-Squares parameters varied:     0
+
+ =>--------------------------->
+ =>------->  PATTERN number:  1
+ =>--------------------------->
+ => Global parameters and codes ==>
+ => Zero-point:    -0.2115    0.0000
+ => Background parameters and codes ==>
+ => Origin of polynomial at 2theta/TOF/E(KeV):   80.000  
+  781.98      75.307      291.88     -3.1860     -329.30      0.0000    
+        0.00        0.00        0.00        0.00        0.00        0.00
+ => Perpendicular Displacement parameter and code:     0.05    0.00
+ => Parallel      Displacement parameter and code:     0.09    0.00
+
+ => Reading Intensity data  =>>
+
+ -> No recognizable heading in input data file X,Y,sigma
+    First 6 lines are considered as COMMENTS (except for TSAMP keyword)
+ -> COMMENT:      3.86396     128.22   14.70975                                                                                                  
+ -> COMMENT:      3.91407     120.02   14.22598                                                                                                  
+ -> COMMENT:      3.96414     166.98   16.77884                                                                                                  
+ -> COMMENT:      4.01424     135.17   15.05058                                                                                                  
+ -> COMMENT:      4.06420     182.87   17.58951                                                                                                  
+ -> COMMENT:      4.11416     177.19   17.30471                                                                                                  
+ ==> Angular range, step and number of points:
+     2Thmin:       4.164220  2Thmax:     163.756378  Step:       0.049998  No. of points:   3194
+ --------------------------------------------------------------------------------
+ => Phase  No. 1
+      nuclear                                                               
+ --------------------------------------------------------------------------------
+ =>-------> Pattern#  1
+ => Crystal Structure Refinement
+ => Preferred orientation vector:   0.0000  0.0000  1.0000
+
+ =>-------> Data for PHASE: 1
+ => Number of atoms:    2
+ => Number of distance  constraints:    0
+ => Number of angle     constraints:    0
+
+ => Symmetry information on space group: P m -3 m            
+ -> The multiplicity of the general position is:  48
+ -> The space group is Centric (-1 at origin)   
+ -> Lattice type  P: { 000 }                                       
+ -> Reduced set of symmetry operators:
+
+  No.  IT   Symmetry symbol    Rotation part     Associated Translation
+   1: ( 1)   1            -->     ( x, y, z) + {  0.0000  0.0000  0.0000}
+   2: ( 4)   2 ( x, 0, 0) -->     ( x,-y,-z) + {  0.0000  0.0000  0.0000}
+   3: ( 3)   2 ( 0, y, 0) -->     (-x, y,-z) + {  0.0000  0.0000  0.0000}
+   4: ( 2)   2 ( 0, 0, z) -->     (-x,-y, z) + {  0.0000  0.0000  0.0000}
+   5: ( 9)  3- ( x, x, x) -->     ( y, z, x) + {  0.0000  0.0000  0.0000}
+   6: (12)  3- (-x, x,-x) -->     (-y,-z, x) + {  0.0000  0.0000  0.0000}
+   7: (11)  3- (-x,-x, x) -->     ( y,-z,-x) + {  0.0000  0.0000  0.0000}
+   8: (10)  3- ( x,-x,-x) -->     (-y, z,-x) + {  0.0000  0.0000  0.0000}
+   9: ( 5)  3+ ( x, x, x) -->     ( z, x, y) + {  0.0000  0.0000  0.0000}
+  10: ( 8)  3+ (-x,-x, x) -->     (-z, x,-y) + {  0.0000  0.0000  0.0000}
+  11: ( 7)  3+ ( x,-x,-x) -->     (-z,-x, y) + {  0.0000  0.0000  0.0000}
+  12: ( 6)  3+ (-x, x,-x) -->     ( z,-x,-y) + {  0.0000  0.0000  0.0000}
+  13: (14)   2 ( x,-x, 0) -->     (-y,-x,-z) + {  0.0000  0.0000  0.0000}
+  14: (15)  4- ( 0, 0, z) -->     ( y,-x, z) + {  0.0000  0.0000  0.0000}
+  15: (16)  4+ ( 0, 0, z) -->     (-y, x, z) + {  0.0000  0.0000  0.0000}
+  16: (13)   2 ( x, x, 0) -->     ( y, x,-z) + {  0.0000  0.0000  0.0000}
+  17: (24)   2 (-x, 0, x) -->     (-z,-y,-x) + {  0.0000  0.0000  0.0000}
+  18: (21)  4+ ( 0, y, 0) -->     ( z, y,-x) + {  0.0000  0.0000  0.0000}
+  19: (22)   2 ( x, 0, x) -->     ( z,-y, x) + {  0.0000  0.0000  0.0000}
+  20: (23)  4- ( 0, y, 0) -->     (-z, y, x) + {  0.0000  0.0000  0.0000}
+  21: (19)   2 ( 0, y,-y) -->     (-x,-z,-y) + {  0.0000  0.0000  0.0000}
+  22: (18)   2 ( 0, y, y) -->     (-x, z, y) + {  0.0000  0.0000  0.0000}
+  23: (17)  4- ( x, 0, 0) -->     ( x, z,-y) + {  0.0000  0.0000  0.0000}
+  24: (20)  4+ ( x, 0, 0) -->     ( x,-z, y) + {  0.0000  0.0000  0.0000}
+
+
+        Information on Space Group: 
+        --------------------------- 
+
+ =>   Number of Space group: 221
+ =>  Hermann-Mauguin Symbol: P m -3 m
+ =>             Hall Symbol: -P 4 2 3
+ =>            Setting Type: IT (Generated from Hermann-Mauguin symbol)
+ =>          Crystal System: Cubic
+ =>              Laue Class: m-3m
+ =>             Point Group: m-3m
+ =>         Bravais Lattice: P
+ =>          Lattice Symbol: cP
+ =>  Reduced Number of S.O.:  24
+ =>    General multiplicity:  48
+ =>          Centrosymmetry: Centric (-1 at origin)
+ =>  Generators (exc. -1&L):   3
+ =>         Asymmetric unit:  0.000 <= x <=  0.500
+                              0.000 <= y <=  0.500
+                              0.000 <= z <=  0.500
+ => Centring vectors:  0
+                                                                                                    
+
+ => List of all Symmetry Operators and Symmetry Symbols
+
+ => SYMM(  1): x,y,z                             Symbol: 1
+ => SYMM(  2): x,-y,-z                           Symbol: 2 x,0,0
+ => SYMM(  3): -x,y,-z                           Symbol: 2 0,y,0
+ => SYMM(  4): -x,-y,z                           Symbol: 2 0,0,z
+ => SYMM(  5): y,z,x                             Symbol: 3- x,x,x
+ => SYMM(  6): -y,-z,x                           Symbol: 3+ x,-x,x
+ => SYMM(  7): y,-z,-x                           Symbol: 3+ x,x,-x
+ => SYMM(  8): -y,z,-x                           Symbol: 3- x,-x,-x
+ => SYMM(  9): z,x,y                             Symbol: 3+ x,x,x
+ => SYMM( 10): -z,x,-y                           Symbol: 3- x,x,-x
+ => SYMM( 11): -z,-x,y                           Symbol: 3+ x,-x,-x
+ => SYMM( 12): z,-x,-y                           Symbol: 3- x,-x,x
+ => SYMM( 13): y,x,z                             Symbol: m x,x,z
+ => SYMM( 14): -y,x,-z                           Symbol: -4- 0,0,z; 0,0,0
+ => SYMM( 15): y,-x,-z                           Symbol: -4+ 0,0,z; 0,0,0
+ => SYMM( 16): -y,-x,z                           Symbol: m x,-x,z
+ => SYMM( 17): z,y,x                             Symbol: m x,y,x
+ => SYMM( 18): -z,-y,x                           Symbol: -4+ 0,y,0; 0,0,0
+ => SYMM( 19): -z,y,-x                           Symbol: m x,y,-x
+ => SYMM( 20): z,-y,-x                           Symbol: -4- 0,y,0; 0,0,0
+ => SYMM( 21): x,z,y                             Symbol: m x,y,y
+ => SYMM( 22): x,-z,-y                           Symbol: m x,y,-y
+ => SYMM( 23): -x,-z,y                           Symbol: -4- x,0,0; 0,0,0
+ => SYMM( 24): -x,z,-y                           Symbol: -4+ x,0,0; 0,0,0
+ => SYMM( 25): -x,-y,-z                          Symbol: -1 0,0,0
+ => SYMM( 26): -x,y,z                            Symbol: m 0,y,z
+ => SYMM( 27): x,-y,z                            Symbol: m x,0,z
+ => SYMM( 28): x,y,-z                            Symbol: m x,y,0
+ => SYMM( 29): -y,-z,-x                          Symbol: -3- x,x,x; 0,0,0
+ => SYMM( 30): y,z,-x                            Symbol: -3+ x,-x,x; 0,0,0
+ => SYMM( 31): -y,z,x                            Symbol: -3+ x,x,-x; 0,0,0
+ => SYMM( 32): y,-z,x                            Symbol: -3- x,-x,-x; 0,0,0
+ => SYMM( 33): -z,-x,-y                          Symbol: -3+ x,x,x; 0,0,0
+ => SYMM( 34): z,-x,y                            Symbol: -3- x,x,-x; 0,0,0
+ => SYMM( 35): z,x,-y                            Symbol: -3+ x,-x,-x; 0,0,0
+ => SYMM( 36): -z,x,y                            Symbol: -3- x,-x,x; 0,0,0
+ => SYMM( 37): -y,-x,-z                          Symbol: 2 x,-x,0
+ => SYMM( 38): y,-x,z                            Symbol: 4- 0,0,z
+ => SYMM( 39): -y,x,z                            Symbol: 4+ 0,0,z
+ => SYMM( 40): y,x,-z                            Symbol: 2 x,x,0
+ => SYMM( 41): -z,-y,-x                          Symbol: 2 x,0,-x
+ => SYMM( 42): z,y,-x                            Symbol: 4+ 0,y,0
+ => SYMM( 43): z,-y,x                            Symbol: 2 x,0,x
+ => SYMM( 44): -z,y,x                            Symbol: 4- 0,y,0
+ => SYMM( 45): -x,-z,-y                          Symbol: 2 0,y,-y
+ => SYMM( 46): -x,z,y                            Symbol: 2 0,y,y
+ => SYMM( 47): x,z,-y                            Symbol: 4- x,0,0
+ => SYMM( 48): x,-z,y                            Symbol: 4+ x,0,0
+
+ => Special Wyckoff Positions for P m -3 m
+ 
+    Multp     Site        Representative Coordinates (centring translations excluded)
+     24       m              x,x,z               x,-x,-z             -x,x,-z                                 
+                             -x,-x,z             x,z,x               -x,-z,x                                 
+                             x,-z,-x             -x,z,-x             z,x,x                                   
+                             -z,x,-x             -z,-x,x             z,-x,-x                                 
+                             -x,-x,-z            -x,x,z              x,-x,z                                  
+                             x,x,-z              -x,-z,-x            x,z,-x                                  
+                             -x,z,x              x,-z,x              -z,-x,-x                                
+                             z,-x,x              z,x,-x              -z,x,x                                  
+ 
+     24       l              1/2,y,z             1/2,-y,-z           1/2,y,-z                                
+                             1/2,-y,z            y,z,1/2             -y,-z,1/2                               
+                             y,-z,1/2            -y,z,1/2            z,1/2,y                                 
+                             -z,1/2,-y           -z,1/2,y            z,1/2,-y                                
+                             y,1/2,z             -y,1/2,-z           y,1/2,-z                                
+                             -y,1/2,z            z,y,1/2             -z,-y,1/2                               
+                             -z,y,1/2            z,-y,1/2            1/2,z,y                                 
+                             1/2,-z,-y           1/2,-z,y            1/2,z,-y                                
+ 
+     24       k              0,y,z               0,-y,-z             0,y,-z                                  
+                             0,-y,z              y,z,0               -y,-z,0                                 
+                             y,-z,0              -y,z,0              z,0,y                                   
+                             -z,0,-y             -z,0,y              z,0,-y                                  
+                             y,0,z               -y,0,-z             y,0,-z                                  
+                             -y,0,z              z,y,0               -z,-y,0                                 
+                             -z,y,0              z,-y,0              0,z,y                                   
+                             0,-z,-y             0,-z,y              0,z,-y                                  
+ 
+     12       j              1/2,y,y             1/2,-y,-y           1/2,y,-y                                
+                             1/2,-y,y            y,y,1/2             -y,-y,1/2                               
+                             y,-y,1/2            -y,y,1/2            y,1/2,y                                 
+                             -y,1/2,-y           -y,1/2,y            y,1/2,-y                                
+ 
+     12       i              0,y,y               0,-y,-y             0,y,-y                                  
+                             0,-y,y              y,y,0               -y,-y,0                                 
+                             y,-y,0              -y,y,0              y,0,y                                   
+                             -y,0,-y             -y,0,y              y,0,-y                                  
+ 
+     12       h              x,1/2,0             -x,1/2,0            1/2,0,x                                 
+                             1/2,0,-x            0,x,1/2             0,-x,1/2                                
+                             1/2,x,0             1/2,-x,0            0,1/2,x                                 
+                             0,1/2,-x            x,0,1/2             -x,0,1/2                                
+ 
+      8       g              x,x,x               x,-x,-x             -x,x,-x                                 
+                             -x,-x,x             -x,-x,-x            -x,x,x                                  
+                             x,-x,x              x,x,-x                                                      
+ 
+      6       f              x,1/2,1/2           -x,1/2,1/2          1/2,1/2,x                               
+                             1/2,1/2,-x          1/2,x,1/2           1/2,-x,1/2                              
+ 
+      6       e              x,0,0               -x,0,0              0,0,x                                   
+                             0,0,-x              0,x,0               0,-x,0                                  
+ 
+      3       d              1/2,0,0             0,0,1/2             0,1/2,0                                 
+ 
+      3       c              0,1/2,1/2           1/2,1/2,0           1/2,0,1/2                               
+ 
+      1       b              1/2,1/2,1/2                                                                     
+ 
+      1       a              0,0,0                                                                           
+ 
+
+ => Initial parameters ==>
+ Atom    Ntyp                  X         Y         Z         B         occ.         in  fin  Spc  Mult
+                             B11       B22       B33       B12       B13       B23
+ La     La                 0.00000   0.00000   0.00000   0.32249   0.02083           0    0    0    1
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ B      B11                0.19978   0.50000   0.50000   0.16910   0.12500           0    0    0    6
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+
+ => It is assumed that THE FIRST GIVEN SITE plus all the other atoms 
+    occupying THE SAME POSITION have a total full occupation (no vacancies!)
+  (if this is not the case, change the order of atoms to obtain correct values for the content of the unit cell)
+    The given occupation factors have been obtained mutiplying m/M by   0.0208
+      -> Atom: La  ,  Chemical element: LA  Atomic Mass:   138.9055
+      -> Atom: B11 ,  Chemical element: B   Atomic Mass:    10.8100
+ => The given value of ATZ is        203.71 the program has calculated:         203.71
+    The value of ATZ given in the input PCR file will be used for quantitative analysis
+ => The chemical content of the unit cell is: 
+       1.0000 La   +   6.0010 B11    
+ => The normalized site occupation numbers in % are: 
+     100.0000 La     :      100.0160 B        
+ => The density (volumic mass) of the compound is:    4.711 g/cm3
+
+ =>-------> PROFILE PARAMETERS FOR PATTERN:  1
+
+ => Overall scale factor:    44.5178    
+ => ETA (p-Voigt) OR M (Pearson VII):   0.0000
+ => Overall temperature factor:      0.00000
+ => Halfwidth U,V,W:      0.08967    -0.37586     0.47631
+ => X and Y parameters:       0.0000      0.0525
+ => Direct cell parameters:    4.1569   4.1569   4.1569  90.0000  90.0000  90.0000
+ => Preferred orientation parameters:   0.0000  0.0000
+ => Asymmetry parameters     :      0.00000     0.00000     0.00000     0.00000
+ => Strain parameters        :      0.00000     0.00000     0.00000
+ => Size   parameters        :      0.00000     0.00000
+ => Further shape parameters (S_L and D_L):   0.08000   0.08000
+    S_L is source width/detector distance
+    D_L is detector width/detector distance
+
+ ==> CODEWORDS FOR PROFILE PARAMETERS of PATTERN#  1
+
+ => Overall scale factor:    0.000
+ => ETA (p-Voigt) OR M (Pearson VII):    0.000
+ => Overall temperature factor:    0.000
+ => Halfwidth U,V,W:    0.000   0.000   0.000
+ => X and Y parameters:    0.000   0.000
+ => Direct cell parameters:    0.000   0.000   0.000   0.000   0.000   0.000
+ => Preferred orientation parameters:    0.000   0.000
+ => Asymmetry parameters     :    0.000   0.000   0.000   0.000
+ => Strain parameters        :    0.000   0.000   0.000
+ => Size   parameters        :    0.000   0.000
+
+ => Cell constraints according to Laue symmetry: m-3m 
+
+        Metric information:
+        -------------------
+
+ => Direct cell parameters:
+
+         a =       4.1569      b =       4.1569      c =       4.1569
+     alpha =       90.000   beta =       90.000  gamma =       90.000
+                        Direct Cell Volume =      71.8297
+
+ => Reciprocal cell parameters:
+
+         a*=     0.240565      b*=     0.240565      c*=     0.240565
+     alpha*=       90.000   beta*=       90.000  gamma*=       90.000
+                    Reciprocal Cell Volume =   0.01392182
+
+ => Direct and Reciprocal Metric Tensors:
+
+                   GD                                       GR
+     17.2797      0.0000      0.0000          0.057871    0.000000    0.000000
+      0.0000     17.2797      0.0000          0.000000    0.057871    0.000000
+      0.0000      0.0000     17.2797          0.000000    0.000000    0.057871
+
+ =>  Cartesian frame: x // a; z is along c*; y is within the ab-plane   
+
+     Crystal_to_Orthonormal_Matrix              Orthonormal_to_Crystal Matrix
+              Cr_Orth_cel                               Orth_Cr_cel  
+      4.1569      0.0000      0.0000          0.240565   -0.000000   -0.000000
+      0.0000      4.1569      0.0000          0.000000    0.240565   -0.000000
+      0.0000      0.0000      4.1569          0.000000    0.000000    0.240565
+
+     Busing-Levy B-matrix: Hc=B.H            Inverse of the Busing-Levy B-matrix
+                BL_M                                      BL_Minv  
+    0.240565    0.000000    0.000000            4.1569     -0.0000     -0.0000
+    0.000000    0.240565   -0.000000            0.0000      4.1569      0.0000
+    0.000000    0.000000    0.240565            0.0000      0.0000      4.1569
+
+ => Laue symmetry m-3m  will be used to generate HKL for pattern#   1
+ => Reflections generated between S(1/d)min:  0.0448 A-1 and S(1/d)max:  1.2326 A-1
+ =>                                    dmax: 22.3294 A   and      dmin:  0.8113 A
+ => The number of reflections generated is:     28
+ => The max. scatt. variable (gen.ref.) is:       179.0000
+ => Scattering coefficients from internal table
+
+ => Scattering lengths:
+
+ La     0.8240
+  
+ 
+ => No optimization for routine tasks
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+
+ => CYCLE No.:    1
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: nuclear
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => New parameters, shifts, and standard deviations
+
+ Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
+
+ La       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.32249 0.00000 0.00000  0.02083 0.00000 0.00000
+ B        0.19978 0.00000 0.00000  0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.16910 0.00000 0.00000  0.12500 0.00000 0.00000
+
+ ==> PROFILE PARAMETERS FOR PATTERN#  1
+
+ => Overall scale factor:     44.517848969     0.000000000     0.000000000
+ => Eta(p-Voigt) or m(Pearson VII):   0.000000  0.000000  0.000000
+ => Overall tem. factor:     0.000000    0.000000    0.000000
+ => Halfwidth parameters: 
+         0.089670    0.000000    0.000000
+        -0.375862    0.000000    0.000000
+         0.476309    0.000000    0.000000
+ => Cell parameters: 
+        4.156885    0.000000    0.000000
+        4.156885    0.000000    0.000000
+        4.156885    0.000000    0.000000
+       90.000000    0.000000    0.000000
+       90.000000    0.000000    0.000000
+       90.000000    0.000000    0.000000
+ => Preferred orientation: 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => Asymmetry parameters: 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => X and Y parameters: 
+         0.000000    0.000000    0.000000
+         0.052528    0.000000    0.000000
+ => Strain parameters: 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => Size   parameters (G,L): 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => Further shape parameters (S_L and D_L): 
+       0.080000  0.000000  0.000000
+       0.080000  0.000000  0.000000
+
+ ==> GLOBAL PARAMETERS FOR PATTERN#  1
+
+
+ => Zero-point:    -0.2115    0.0000    0.0000
+ => Background Polynomial Parameters ==>
+       781.98      0.0000      0.0000    
+       75.307      0.0000      0.0000    
+       291.88      0.0000      0.0000    
+      -3.1860      0.0000      0.0000    
+      -329.30      0.0000      0.0000    
+       0.0000      0.0000      0.0000    
+
+ => Cos(2theta)-shift parameter :   0.0529  0.0000  0.0000
+ => Sin(2theta)-shift parameter :   0.0907  0.0000  0.0000
+
+ ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
+
+ => R-Factors:   6.12      8.19     Chi2:  8.83     DW-Stat.:  0.3571   Patt#:  1
+ => Expected :            2.76                                1.8880
+ => Deviance : 0.356E+05     Dev*:   11.56    
+ => GoF-index:  3.0         Sqrt(Residual/N)
+ => N-P+C:  3076
+
+ =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
+     0.3109E+06    0.5079E+07    0.5029E+07    0.4048E+07    0.2717E+05     0.000    
+
+
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   12.2      13.9      4.69      8.833    
+ => (Values obtained using Ynet, but true sigma(y))
+ =>  SumYnet, Sum(w Ynet**2):     0.2558E+07    0.1399E+07
+
+
+ ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
+
+ => R-Factors:   6.16      8.24     Chi2:  9.06     DW-Stat.:  0.3584   Patt#:
+ => Expected :            2.74                                1.8863
+ => Deviance : 0.354E+05     Dev*:   11.86    
+ => GoF-index:  3.0         Sqrt(Residual/N)
+ => N-P+C:  2989
+
+ =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
+     0.3087E+06    0.5012E+07    0.4963E+07    0.3986E+07    0.2708E+05     0.000    
+
+
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   12.1      13.9      4.62      9.059    
+ => (Values obtained using Ynet, but true sigma(y))
+ =>  SumYnet, Sum(w Ynet**2):     0.2557E+07    0.1399E+07
+
+
+ => Global user-weigthed Chi2 (Bragg contrib.):   9.06    
+
+ => ---------> Pattern#  1
+ => Phase:  1
+ =>    Bragg R-factor:  3.50    
+ =>    RF-factor     :  2.13    
+
+
+   Standard deviations have to be multiplied by: 2.9579
+   (correlated residuals) See references:
+  -J.F.Berar & P.Lelann, J. Appl. Cryst. 24, 1-5 (1991) 
+  -J.F.Berar, Acc. in Pow. Diff. II,NIST Sp.Pub. 846, 63(1992) 
+
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+
+ => CYCLE No.:    1
+ =>  Convergence reached at this CYCLE !!!!
+ =>  Parameter shifts set to zero
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: nuclear
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => New parameters, shifts, and standard deviations
+
+ Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
+
+ La       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.32249 0.00000 0.00000  0.02083 0.00000 0.00000
+ B        0.19978 0.00000 0.00000  0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.16910 0.00000 0.00000  0.12500 0.00000 0.00000
+
+ ==> PROFILE PARAMETERS FOR PATTERN#  1
+
+ => Overall scale factor:     44.517848969     0.000000000     0.000000000
+ => Eta(p-Voigt) or m(Pearson VII):   0.000000  0.000000  0.000000
+ => Overall tem. factor:     0.000000    0.000000    0.000000
+ => Halfwidth parameters: 
+         0.089670    0.000000    0.000000
+        -0.375862    0.000000    0.000000
+         0.476309    0.000000    0.000000
+ => Cell parameters: 
+        4.156885    0.000000    0.000000
+        4.156885    0.000000    0.000000
+        4.156885    0.000000    0.000000
+       90.000000    0.000000    0.000000
+       90.000000    0.000000    0.000000
+       90.000000    0.000000    0.000000
+ => Preferred orientation: 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => Asymmetry parameters: 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => X and Y parameters: 
+         0.000000    0.000000    0.000000
+         0.052528    0.000000    0.000000
+ => Strain parameters: 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => Size   parameters (G,L): 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => Further shape parameters (S_L and D_L): 
+       0.080000  0.000000  0.000000
+       0.080000  0.000000  0.000000
+
+ ==> GLOBAL PARAMETERS FOR PATTERN#  1
+
+
+ => Zero-point:    -0.2115    0.0000    0.0000
+ => Background Polynomial Parameters ==>
+       781.98      0.0000      0.0000    
+       75.307      0.0000      0.0000    
+       291.88      0.0000      0.0000    
+      -3.1860      0.0000      0.0000    
+      -329.30      0.0000      0.0000    
+       0.0000      0.0000      0.0000    
+
+ => Cos(2theta)-shift parameter :   0.0529  0.0000  0.0000
+ => Sin(2theta)-shift parameter :   0.0907  0.0000  0.0000
+
+ ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
+
+ => R-Factors:   6.12      8.19     Chi2:  8.83     DW-Stat.:  0.3571   Patt#:  1
+ => Expected :            2.76                                1.8880
+ => Deviance : 0.356E+05     Dev*:   11.56    
+ => GoF-index:  3.0         Sqrt(Residual/N)
+ => N-P+C:  3076
+
+ =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
+     0.3109E+06    0.5079E+07    0.5029E+07    0.4048E+07    0.2717E+05     0.000    
+
+
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   12.2      13.9      4.69      8.833    
+ => (Values obtained using Ynet, but true sigma(y))
+ =>  SumYnet, Sum(w Ynet**2):     0.2558E+07    0.1399E+07
+
+ => N-sigma of the GoF:      307.205
+
+ ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
+
+ => R-Factors:   6.16      8.24     Chi2:  9.06     DW-Stat.:  0.3584   Patt#:
+ => Expected :            2.74                                1.8863
+ => Deviance : 0.354E+05     Dev*:   11.86    
+ => GoF-index:  3.0         Sqrt(Residual/N)
+ => N-P+C:  2989
+
+ =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
+     0.3087E+06    0.5012E+07    0.4963E+07    0.3986E+07    0.2708E+05     0.000    
+
+
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   12.1      13.9      4.62      9.059    
+ => (Values obtained using Ynet, but true sigma(y))
+ =>  SumYnet, Sum(w Ynet**2):     0.2557E+07    0.1399E+07
+
+ => N-sigma of the GoF:      311.542
+
+ => Global user-weigthed Chi2 (Bragg contrib.):   9.09    
+
+ => ---------> Pattern#  1
+ => Phase:  1
+ =>    Bragg R-factor:  3.50    
+ =>    RF-factor     :  2.13    
+
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
+ Pattern#  1 Phase No.:   1 Phase name: nuclear
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
+
+   No.  Code     H   K   L  Mult     Hw         2theta      Icalc       Iobs      Sigma      HwG     HwL       ETA       d-hkl        CORR
+
+      1   1      1   0   0     6  0.665119      22.508     7204.0     7324.2     32.423  0.636449  0.053558  0.106962  4.156885     80.309196
+      2   1      1   1   0    12  0.642261      32.043     6319.8     6755.8     30.035  0.613003  0.054651  0.112850  2.939362     81.947983
+      3   1      1   1   1     8  0.623920      39.514     6879.7     6996.2     26.093  0.594035  0.055813  0.118461  2.399979     37.196171
+      4   1      2   0   0     6  0.607684      45.949     5373.2     4941.9     23.282  0.577130  0.057054  0.124138  2.078443     21.387754
+      5   1      2   1   0    24  0.592614      51.748     2856.2     2771.9     17.926  0.561342  0.058380  0.130047  1.859016     70.032303
+      6   1      2   1   1    24  0.578215      57.116     3039.1     3227.8     24.084  0.546171  0.059804  0.136305  1.697041     59.783535
+      7   1      2   2   0    12  0.550296      67.009        0.1        0.0      0.030  0.516514  0.062995  0.150289  1.469681     23.615005
+      8   1      2   2   1    24  0.536393      71.674    20803.9    21410.6     45.083  0.501626  0.064795  0.158245  1.385628     43.181633
+      9   1      3   0   0     6  0.536393      71.674     3940.7     4055.6      8.540  0.501626  0.064795  0.158245  1.385628     10.795408
+     10   1      3   1   0    24  0.522332      76.217    13271.0    13622.9     34.977  0.486486  0.066758  0.167026  1.314523     40.041061
+     11   1      3   1   1    24  0.507993      80.673      477.8      469.4      8.197  0.470957  0.068911  0.176804  1.253348     37.575111
+     12   1      2   2   2     8  0.493264      85.073     2902.1     2730.7     18.475  0.454906  0.071288  0.187790  1.199989     11.877170
+     13   1      3   2   0    24  0.478044      89.444      405.3      309.1     10.529  0.438206  0.073928  0.200250  1.152913     34.108757
+     14   1      3   2   1    48  0.462242      93.811      416.7      423.3     15.332  0.420732  0.076885  0.214521  1.110974     65.878616
+     15   1      4   0   0     6  0.428694     102.640     4797.4     4657.8     24.022  0.383053  0.084048  0.250315  1.039221      7.876829
+     16   1      3   2   2    24  0.411037     107.157     4401.0     4679.5     20.225  0.362784  0.088473  0.273028  1.008193     31.214911
+     17   1      4   1   0    24  0.411037     107.157      353.8      376.2      1.626  0.362784  0.088473  0.273028  1.008193     31.214911
+     18   1      4   1   1    24  0.393176     111.788      172.8      181.5      0.553  0.341785  0.093678  0.299885  0.979787     31.215351
+     19   1      3   3   0    12  0.393176     111.788    11553.3    12132.9     36.970  0.341785  0.093678  0.299885  0.979787     15.607678
+     20   1      3   3   1    24  0.376005     116.573     1158.7     1300.7     13.436  0.320762  0.099926  0.331416  0.953655     31.544746
+     21   1      4   2   0    24  0.361631     121.569     2705.0     2597.5     17.556  0.301546  0.107618  0.367187  0.929508     32.274227
+     22   1      4   2   1    48  0.354875     126.848     9310.9     9242.7     31.726  0.288585  0.117412  0.403747  0.907107     67.069313
+     23   1      3   3   2    24  0.366372     132.522     4911.4     5087.7     27.605  0.292035  0.130481  0.430999  0.886251     35.573574
+     24   1      4   2   2    24  0.553144     145.917     1625.4     1740.8     17.075  0.452187  0.179236  0.396316  0.848521     44.793644
+     25   1      4   3   0    24  0.897768     154.743     9302.1     9244.7     29.090  0.764869  0.240258  0.333528  0.831377     57.642166
+     26   1      5   0   0     6  0.897768     154.743      170.5      169.4      0.533  0.764869  0.240258  0.333528  0.831377     14.410542
+
+     -----------------------------------------------------
+     BRAGG R-Factors and weight fractions for Pattern #  1
+     -----------------------------------------------------
+
+ => Phase:  1     nuclear
+ => Bragg R-factor:   3.50       Vol:   71.830( 0.000)  Fract(%):  100.00( 0.00)
+ => Rf-factor=  2.14             ATZ:         203.711   Brindley:  1.0000
+
+     -----------------------------------------------------------------
+      SYMBOLIC NAMES AND FINAL VALUES AND SIGMA OF REFINED PARAMETERS:
+     -----------------------------------------------------------------
+
+
+ ------------------------------------------------------------------
+ => Number of bytes for floating point variables: 4
+ => Dimensions of dynamic allocated arrays in this run of FullProf:
+ ------------------------------------------------------------------
+
+ => Total approximate array memory (dynamic + static): 132451053 bytes
+
+    MaxPOINT=    80000 Max.num. of points(+int. Inten.)/diffraction pattern       
+    MaxREFLT=    25000 Max.num. of reflections/diffraction pattern               
+    MaxPARAM=      500 Max.num. of refinable parameters                          
+    MaxOVERL=     9000 Max.num. of overlapping reflections                       
+
+ ----------------------------------------------------------
+ => Number of bytes for floating point arrays: 4
+ => Dimensions of fixed arrays in this release of FullProf:
+ ----------------------------------------------------------
+
+    NPATT   =       80 Max.num. of powder diffraction patterns                    
+    NATS    =      830 Max.num. of atoms (all kind) in asymmetric unit            
+    MPAR    =     1800 Max.num. of non atomic parameters/phase                    
+    IEXCL   =       30 Max.num. of excluded regions                               
+    IBACP   =      377 Max.num. of background points for interpolation            
+    NPHT    =       16 Max.num. of phases                                         
+    NMAGM   =        8 Max.num. of rotation-matrices sets for magnetic structure  
+    NBASIS  =       12 Max.num. of basis functions associated to a single atom    
+    NIREPS  =        9 Max.num. of irreducible representations to be combined     
+    N_EQ    =      384 Max.num. of user-supplied symmetry operators/propagation vectors
+    NGL     =      400 Max.num. of global parameters/diffraction pattern          
+    N_LINC  =       50 Max.num. of global linear restraints                        
+    NAT_P   =       80 Max.num. of atomic parameters per atom                     
+    NCONST  =     3500 Max.num. of slack constraints per phase                    
+    N_SPE   =       30 Max.num. of different chemical species                     
+    N_FORM  =       60 Max.num. of scattering factor values in a table            
+    NPR     =      150 Max.num. of points defining a numerical profile            
+    INPR    =       25 Max.num. of different numerical peak shapes                
+    NPRC    =      150 Max.num. of terms in the table for correcting intensities  
+    NSOL    =       10 Max.num. of solutions to be stored in Montecarlo searchs   
+
+ 
+              CPU Time:     0.539 seconds
+                            0.009 minutes
+
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:01.651                              
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.pcr b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.pcr
new file mode 100644
index 000000000..82d5ea8c4
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.pcr
@@ -0,0 +1,59 @@
+COMM LaB6 Ge(331)
+! Current global Chi2 (Bragg contrib.) =      9.090    
+! Files => DAT-file: ECH0030684_LaB6_1p622A_noAbs.dat,  PCR-file: ECH0030684_LaB6_1p622A_noAbs
+!Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut
+   1   7   1   0   2   1   0   1   0   0   1   0   0   0   0   0   0   0   1
+!
+!Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana
+   2   2   1   0   1   0   4   0   0   2  10  -1   0   0   0   0   1
+!
+! Lambda1  Lambda2    Ratio    Bkpos    Wdt    Cthm     muR   AsyLim   Rpolarz  2nd-muR -> Patt# 1
+ 1.622528 1.622528  0.00000   80.000  12.000  0.0000  0.0000  180.00    0.0000  0.0000
+!
+!NCY  Eps  R_at  R_an  R_pr  R_gl     Thmin       Step       Thmax    PSD    Sent0
+200  0.10  0.04  0.04  0.04  0.04      4.1642   0.049998   163.7564   0.000   0.000
+!
+! Excluded regions (LowT  HighT) for Pattern#  1
+        0.00       10.00
+      164.00      180.00
+! 
+! Additional scattering factors for Pattern#  1
+B11     0.66500    0.00000   0
+!
+       0    !Number of refined parameters
+!
+!  Zero    Code    SyCos    Code   SySin    Code  Lambda     Code MORE ->Patt# 1
+ -0.21148    0.0  0.05290    0.0  0.09073    0.0 1.622528    0.00   0
+!   Background coefficients/codes  for Pattern#  1  (Polynomial of 6th degree)
+     781.982      75.307     291.876      -3.186    -329.304       0.000
+        0.00        0.00        0.00        0.00        0.00        0.00
+!-------------------------------------------------------------------------------
+!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   3.5031
+!-------------------------------------------------------------------------------
+nuclear
+!
+!Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth       ATZ    Nvk Npr More
+   2   0   0 0.0 0.0 1.0   0   0   0   0   0        203.711   0   7   0
+!
+!
+P m -3 m                 <--Space group symbol
+!Atom   Typ       X        Y        Z     Biso       Occ     In Fin N_t Spc /Codes
+La     La      0.00000  0.00000  0.00000  0.32249   0.02083   0   0   0    0  
+                  0.00     0.00     0.00     0.00      0.00
+B      B11     0.19978  0.50000  0.50000  0.16910   0.12500   0   0   0    0  
+                  0.00     0.00     0.00     0.00      0.00
+!-------> Profile Parameters for Pattern #   1  ----> Phase #   1
+!  Scale          Shape1      Bov      Str1      Str2      Str3   Strain-Model
+  44.51785       0.00000   0.00000   0.00000   0.00000   0.00000       0
+       0.00000     0.000     0.000     0.000     0.000     0.000
+!       U            V            W             X            Y         GauSiz      LorSiz    Size-Model
+     0.089670    -0.375862     0.476309     0.000000     0.052528     0.000000     0.000000       0
+         0.00         0.00         0.00         0.00         0.00         0.00         0.00
+!     a          b         c        alpha      beta       gamma      # Cell Info
+   4.156885   4.156885   4.156885  90.000000  90.000000  90.000000   
+    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
+!  Pref1    Pref2      Asy1     Asy2     Asy3     Asy4      S_L      D_L
+  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.08000  0.08000
+     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
+!  2Th1/TOF1    2Th2/TOF2  Pattern to plot
+      10.000     163.756       1
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.prf b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.prf
new file mode 100644
index 000000000..0185826d0
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.prf
@@ -0,0 +1,3266 @@
+IGOR
+WAVES     TwoTheta,       Iobs,   Icalc,  Diff
+BEGIN
+       4.164      249.28      709.68     -460.40
+       4.214      242.77      710.08     -467.31
+       4.264      261.99      710.47     -448.48
+       4.314      374.47      710.87     -336.40
+       4.364      435.31      711.26     -275.95
+       4.414      647.92      711.65      -63.73
+       4.464      806.68      712.04       94.64
+       4.514      868.33      712.43      155.90
+       4.564     1082.78      712.82      369.96
+       4.614     1245.94      713.21      532.73
+       4.664     1161.56      713.59      447.97
+       4.714     1270.88      713.98      556.90
+       4.764     1353.10      714.36      638.74
+       4.814     1394.96      714.74      680.22
+       4.864     1344.30      715.13      629.17
+       4.914     1395.56      715.50      680.06
+       4.964     1418.44      715.88      702.56
+       5.014     1512.19      716.26      795.93
+       5.064     1533.20      716.64      816.56
+       5.117     1511.09      717.04      794.05
+       5.167     1557.83      717.41      840.42
+       5.217     1570.98      717.79      853.19
+       5.267     1524.03      718.16      805.87
+       5.317     1557.07      718.53      838.54
+       5.367     1518.49      718.90      799.59
+       5.417     1492.80      719.27      773.53
+       5.467     1467.48      719.64      747.84
+       5.517     1642.49      720.01      922.48
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+     163.706     1058.06      905.22      152.84
+     163.756     1061.08      781.45      279.63
+END
+WAVES     Phase1, tik1
+BEGIN
+      22.297      -1396
+      31.832      -1396
+      39.302      -1396
+      45.738      -1396
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+     154.531      -1396
+     154.531      -1396
+     168.477      -1396
+     168.477      -1396
+END
+WAVES Excrg1, excl1
+BEGIN
+        4.16      -1396
+       10.00      -1396
+END
+WAVES Excrg2, excl2
+BEGIN
+      164.00      -1396
+      163.76      -1396
+END
+X Silent 1
+X DefaultFont Times
+X Display Iobs, Icalc, Diff vs TwoTheta
+X Modify mode(Iobs)=2, rgb(Iobs)=(0,0,0), rgb(Diff)=(3800,44400,4000)
+X SetAxis bottom     4.16,   163.76
+X Modify lsize(Iobs)=2
+X Modify offset(Diff)={0,  -9296}
+X Modify wbRGB=(48483,64909,65535), gbRGB=(64612,65535,49415)
+X Modify mirror(left)=2, mirror(bottom)=2
+X Modify gfSize=12
+X Append excl1 vs Excrg1
+X Modify mode(excl1)=7, hbFill(excl1)=4
+X Modify rgb(excl1)=(6421,62320,64794)
+X Append excl2 vs Excrg2
+X Modify mode(excl2)=7, hbFill(excl2)=4
+X Modify rgb(excl2)=(6421,62320,64794)
+X Append tik1 vs Phase1
+X Modify mode(tik1)=1
+X TextBox /F=2/S=3/A=RT "Files: ECH0030684_LaB6_1p622A_noAbs\rDate of fit: \Z09 09/06/2026/ 12:42:01.4\Z12\rnuclear\rChi2 =    8.83"
+X Label left "\Z14Intensity"
+X Label bottom "\Z142-Theta (in degrees)"
+X TileWindows/O=1/C
+X ShowInfo
+X | Title of data set:  LaB6 Ge(331)
+X | Date of run: 09/06/2026 / 12:42:01.4
+X Beep
+X Beep
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.sum b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.sum
new file mode 100644
index 000000000..eb1f47317
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.sum
@@ -0,0 +1,142 @@
+
+
+        **********************************************************
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
+        **********************************************************
+                       M U L T I -- P A T T E R N                 
+            Rietveld, Profile Matching & Integrated Intensity     
+                 Refinement of X-ray and/or Neutron Data
+
+
+    Date: 09/06/2026  Time: 12:42:01.107                              
+
+ => PCR file code: ECH0030684_LaB6_1p622A_noAbs
+ => DAT file code: ECH0030684_LaB6_1p62 -> Relative contribution: 1.0000                                                            
+ => Title: LaB6 Ge(331)
+
+ ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
+
+ => Global Refinement of neutron powder data                                                                                        
+ => The    7th default profile function was selected
+
+ => X-Y type of data: 2theta/TOF/E(Kev) Intens sigma for pattern:  1
+ => Analysis of refinement at the end
+ => Wavelengths:  1.62253 1.62253
+ => Cos(Monochromator angle)=   0.0000
+ => Absorption correction (AC), muR-eff =   0.0000  0.0000
+ => Base of peaks: 2.0*HW*   12.00
+ ==> Angular range, step and number of points:
+     2Thmin:       4.164220  2Thmax:     163.756378  Step:       0.049998  No. of points:   3194
+ =>-------> Pattern#  1
+ => Crystal Structure Refinement for phase: 1
+ => The density (volumic mass) of phase 1 is:    4.711 g/cm3
+ => Scor: 2.9579
+
+ ==> RESULTS OF REFINEMENT:
+
+
+ => No. of fitted parameters:    0
+
+
+------------------------------------------------------------------------------
+ => Phase No.  1 nuclear                                 P m -3 m            
+------------------------------------------------------------------------------
+
+ =>  No. of reflections for pattern#:   1:    28  
+
+
+ ==> ATOM PARAMETERS:
+
+  Name      x     sx       y     sy       z      sz      B   sB   occ. socc.  Mult
+ La      0.00000(   0)  0.00000(   0)  0.00000(   0)  0.322(  0)  0.021(  0)    1
+ B       0.19978(   0)  0.50000(   0)  0.50000(   0)  0.169(  0)  0.125(  0)    6
+
+ ==> PROFILE PARAMETERS FOR PATTERN#  1
+
+ => Cell parameters      :
+                              4.15689   0.00000
+                              4.15689   0.00000
+                              4.15689   0.00000
+                             90.00000   0.00000
+                             90.00000   0.00000
+                             90.00000   0.00000
+ 
+ => overall scale factor :   44.51785      0.000000    
+ => Eta(p-v) or m(p-vii) :    0.00000   0.00000
+ => Overall tem. factor  :    0.00000   0.00000
+ => Halfwidth parameters :    0.08967   0.00000
+                             -0.37586   0.00000
+                              0.47631   0.00000
+ => Preferred orientation:    0.00000   0.00000
+                              0.00000   0.00000
+ => Asymmetry parameters :    0.00000   0.00000
+                              0.00000   0.00000
+                              0.00000   0.00000
+                              0.00000   0.00000
+ => X and y parameters   :    0.00000   0.00000
+                              0.05253   0.00000
+ => Strain parameters    :    0.00000   0.00000
+                              0.00000   0.00000
+                              0.00000   0.00000
+ => Size parameters (G,L):    0.00000   0.00000
+                              0.00000   0.00000
+
+ => Add. shape parameters: 
+                             0.800000E-01   0.00000    
+                             0.800000E-01   0.00000    
+
+
+
+ ==> GLOBAL PARAMETERS FOR PATTERN#  1
+
+
+ => Zero-point:    -0.2115    0.0000
+ => Background Polynomial Parameters ==>
+                               781.98      0.0000    
+                               75.307      0.0000    
+                               291.88      0.0000    
+                              -3.1860      0.0000    
+                              -329.30      0.0000    
+                               0.0000      0.0000    
+ 
+ => Cos(2theta)-shift parameter :   0.0529  0.0000
+ => Sin(2theta)-shift parameter :   0.0907  0.0000
+
+ ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
+
+  => Cycle:  1 => MaxCycle:200
+ => N-P+C:  3076
+ =>  R-factors (not corrected for background) for Pattern:  1
+ => Rp:  6.12     Rwp:  8.19     Rexp:    2.76 Chi2:  8.83      L.S. refinement
+ => Conventional Rietveld R-factors for Pattern:  1
+ => Rp:  12.2     Rwp:  13.9     Rexp:    4.69 Chi2:  8.83    
+ => Deviance:  0.356E+05     Dev*  :   11.56    
+ => DW-Stat.:    0.3571     DW-exp:     1.8880
+ => N-sigma of the GoF:      307.205
+
+ ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
+
+ => N-P+C:  2989
+ =>  R-factors (not corrected for background) for Pattern:  1
+ => Rp:  6.16     Rwp:  8.24     Rexp:    2.74 Chi2:  9.06      L.S. refinement
+ => Conventional Rietveld R-factors for Pattern:  1
+ => Rp:  12.1     Rwp:  13.9     Rexp:    4.62 Chi2:  9.06    
+ => Deviance:  0.354E+05     Dev*  :   11.86    
+ => DW-Stat.:    0.3584     DW-exp:     1.8863
+ => N-sigma of the GoF:      311.542
+
+ => Global user-weigthed Chi2 (Bragg contrib.):   9.09    
+
+     -----------------------------------------------------
+     BRAGG R-Factors and weight fractions for Pattern #  1
+     -----------------------------------------------------
+
+ => Phase:  1     nuclear
+ => Bragg R-factor:   3.50       Vol:   71.830( 0.000)  Fract(%):  100.00( 0.00)
+ => Rf-factor=  2.14             ATZ:         203.711   Brindley:  1.0000
+
+ 
+              CPU Time:     0.539 seconds
+                            0.009 minutes
+
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:01.651                              
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.vesta b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.vesta
new file mode 100644
index 000000000..f31b57eea
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs.vesta
@@ -0,0 +1,24 @@
+#VESTA_FORMAT_VERSION 3.1.9
+ 
+ 
+CRYSTAL
+TITLE
+   LaB6 Ge(331)
+ 
+IMPORT_STRUCTURE
+ECH0030684_LaB6_1p622A_noAbs.cif
+ 
+IMPORT_DENSITY 1
++1.000000E+000 ECH0030684_LaB6_1p622A_noAbs.pgrid
+ 
+BOUND
+    -0.1      1.1      -0.1      1.1      -0.1     1.1 
+  0   0   0   0  0
+SBOND
+  0 0 0 0
+ 
+STYLE
+MODEL   2  1  0
+SURFS   0  1  1
+SECTS  96  0
+POLYS  0
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs1.fst b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs1.fst
new file mode 100644
index 000000000..f9210456f
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs1.fst
@@ -0,0 +1,7 @@
+!   FILE for FullProf Studio: generated automatically by FullProf 
+!Title: nuclear                                                                                                                                                             
+SPACEG P m -3 m            
+CELL     4.156885    4.156885    4.156885  90.0000  90.0000  90.0000   DISPLAY MULTIPLE
+BOX   -0.15  1.15   -0.15  1.15    -0.15  1.15 
+ATOM La      La       0.00000   0.00000   0.00000  
+ATOM B       B        0.19978   0.50000   0.50000  
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs1.sub b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs1.sub
new file mode 100644
index 000000000..715963b59
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs1.sub
@@ -0,0 +1,3195 @@
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diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.bac b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.bac
new file mode 100644
index 000000000..e89c1dd43
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.bac
@@ -0,0 +1,3195 @@
+!  Background of: ECH0030684_LaB6_1p622A_noAbs_noSLDL                                                                                                                                                                                                                                                                                                                                                                                                                                                                                             
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+      163.0646      765.0413
+      163.1146      764.4300
+      163.1647      763.8158
+      163.2147      763.2020
+      163.2646      762.5864
+      163.3147      761.9678
+      163.3647      761.3477
+      163.4148      760.7257
+      163.4646      760.1042
+      163.5147      759.4791
+      163.5647      758.8511
+      163.6146      758.2242
+      163.6646      757.5936
+      163.7146      756.9622
+      163.7645      756.3292
+      163.8145      755.6943
+      163.8644      755.0576
+      163.9144      754.4178
+      163.9644      753.7772
+      164.0143      753.1349
+      164.0641      752.4933
+      164.1142      751.8456
+      164.1643      751.1965
+      164.2142      750.5477
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.cif b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.cif
new file mode 100644
index 000000000..1eb834bc5
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.cif
@@ -0,0 +1,508 @@
+##############################################################################
+###      FullProf-generated CIF output file  (version: May 2019)           ###
+###      Template of CIF submission form for structure report              ###
+##############################################################################
+ 
+# This file has been generated using FullProf.2k taking one example of 
+# structure report provided by Acta Cryst. It is given as a 'template' with 
+# filled structural items. Many other items are left unfilled and it is the  
+# responsibility of the user to properly fill or suppress them. In principle 
+# all question marks '?' should be replaced by the appropriate text or 
+# numerical value depending on the kind of CIF item. 
+# See the document: cif_core.dic (URL: http://www.iucr.org) for details. 
+ 
+# Please notify any error or suggestion to: 
+#           Juan Rodriguez-Carvajal (jrc@ill.eu)
+# Improvements will be progressively added as needed.
+#      Date: 09/06/2026  Time: 12:42:01.011
+ 
+ 
+#=============================================================================
+ data_global
+#=============================================================================
+ 
+_audit_creation_date  09/06/2026  
+_audit_creation_method  "FullProf Suite"
+# PROCESSING SUMMARY (IUCr Office Use Only)
+ 
+_journal_data_validation_number      ?
+ 
+_journal_date_recd_electronic        ?
+_journal_date_to_coeditor            ?
+_journal_date_from_coeditor          ?
+_journal_date_accepted               ?
+_journal_date_printers_first         ?
+_journal_date_printers_final         ?
+_journal_date_proofs_out             ?
+_journal_date_proofs_in              ?
+_journal_coeditor_name               ?
+_journal_coeditor_code               ?
+_journal_coeditor_notes
+; ?
+;
+_journal_techeditor_code             ?
+_journal_techeditor_notes
+; ?
+;
+_journal_coden_ASTM                  ?
+_journal_name_full                   ?
+_journal_year                        ?
+_journal_volume                      ?
+_journal_issue                       ?
+_journal_page_first                  ?
+_journal_page_last                   ?
+_journal_paper_category              ?
+_journal_suppl_publ_number           ?
+_journal_suppl_publ_pages            ?
+ 
+#=============================================================================
+ 
+# 1. SUBMISSION DETAILS
+ 
+_publ_contact_author_name            ?  # Name of author for correspondence
+_publ_contact_author_address            # Address of author for correspondence
+; ?
+;
+_publ_contact_author_email           ?
+_publ_contact_author_fax             ?
+_publ_contact_author_phone           ?
+ 
+_publ_contact_letter
+; ?
+;
+ 
+_publ_requested_journal              ?
+_publ_requested_coeditor_name        ?
+_publ_requested_category             ?   # Acta C: one of CI/CM/CO/FI/FM/FO
+ 
+ 
+# Definition of non standard CIF items (Reliability indices used in FULLPROF) 
+ 
+loop_ 
+_publ_manuscript_incl_extra_item
+_publ_manuscript_incl_extra_info
+_publ_manuscript_incl_extra_defn
+#      Name                               Explanation                 Standard?
+#     ------                              -----------                 ---------
+ '_pd_proc_ls_prof_cR_factor'    'Prof. R-factor CORRECTED for background'   no
+ '_pd_proc_ls_prof_cwR_factor'   'wProf.R-factor CORRECTED for background'   no
+ '_pd_proc_ls_prof_cwR_expected' 'wProf.Expected CORRECTED for background'   no
+ '_pd_proc_ls_prof_chi2'         'Chi-square for all considered points'      no
+ '_pd_proc_ls_prof_echi2'        'Chi-2 for points with Bragg contribution'  no
+#=============================================================================
+ 
+# 3. TITLE AND AUTHOR LIST
+ 
+_publ_section_title
+; ' LaB6 Ge(331)'
+;
+_publ_section_title_footnote
+;
+;
+ 
+# The loop structure below should contain the names and addresses of all 
+# authors, in the required order of publication. Repeat as necessary.
+ 
+loop_
+    _publ_author_name
+    _publ_author_footnote
+    _publ_author_address
+?                                   #<--'Last name, first name' 
+; ?
+;
+; ?
+;
+ 
+#=============================================================================
+ 
+# 4. TEXT
+ 
+_publ_section_synopsis
+;  ?
+;
+_publ_section_abstract
+; ?
+;          
+_publ_section_comment
+; ?
+;
+_publ_section_exptl_prep      # Details of the preparation of the sample(s)
+                              # should be given here. 
+; ?
+;
+_publ_section_exptl_refinement
+; ?
+;
+_publ_section_references
+; ?
+;
+_publ_section_figure_captions
+; ?
+;
+_publ_section_acknowledgements
+; ?
+;
+ 
+#=============================================================================
+ 
+#=============================================================================
+# If more than one structure is reported, the remaining sections should be 
+# completed per structure. For each data set, replace the '?' in the
+# data_? line below by a unique identifier.
+ 
+data_nuclear 
+ 
+#=============================================================================
+ 
+# 5. CHEMICAL DATA
+ 
+_chemical_name_systematic
+; ?
+;
+_chemical_name_common             ?
+_chemical_formula_moiety          ?
+_chemical_formula_structural      ?
+_chemical_formula_analytical      ?
+_chemical_formula_iupac           ?
+_chemical_formula_sum             ?
+_chemical_formula_weight          ?
+_chemical_melting_point           ?
+_chemical_compound_source         ?       # for minerals and 
+                                          # natural products
+ 
+loop_
+    _atom_type_symbol               
+    _atom_type_scat_length_neutron      
+    _atom_type_scat_source          
+La     0.82400 V.F._Sears_Neutron_News_3_26_(1992)
+B11    0.66500 V.F._Sears_Neutron_News_3_26_(1992)
+ 
+#=============================================================================
+ 
+# 6. POWDER SPECIMEN AND CRYSTAL DATA
+ 
+_symmetry_cell_setting                Cubic
+_symmetry_space_group_name_H-M       'P m -3 m'
+_symmetry_space_group_name_Hall      '-P 4 2 3'
+ 
+loop_
+    _symmetry_equiv_pos_as_xyz
+'x,y,z'
+'x,-y,-z'
+'-x,y,-z'
+'-x,-y,z'
+'y,z,x'
+'-y,-z,x'
+'y,-z,-x'
+'-y,z,-x'
+'z,x,y'
+'-z,x,-y'
+'-z,-x,y'
+'z,-x,-y'
+'y,x,z'
+'-y,x,-z'
+'y,-x,-z'
+'-y,-x,z'
+'z,y,x'
+'-z,-y,x'
+'-z,y,-x'
+'z,-y,-x'
+'x,z,y'
+'x,-z,-y'
+'-x,-z,y'
+'-x,z,-y'
+'-x,-y,-z'
+'-x,y,z'
+'x,-y,z'
+'x,y,-z'
+'-y,-z,-x'
+'y,z,-x'
+'-y,z,x'
+'y,-z,x'
+'-z,-x,-y'
+'z,-x,y'
+'z,x,-y'
+'-z,x,y'
+'-y,-x,-z'
+'y,-x,z'
+'-y,x,z'
+'y,x,-z'
+'-z,-y,-x'
+'z,y,-x'
+'z,-y,x'
+'-z,y,x'
+'-x,-z,-y'
+'-x,z,y'
+'x,z,-y'
+'x,-z,y'
+ 
+_cell_length_a                       4.15689
+_cell_length_b                       4.15689
+_cell_length_c                       4.15689
+_cell_angle_alpha                    90.0000
+_cell_angle_beta                     90.0000
+_cell_angle_gamma                    90.0000
+_cell_volume                         71.8297
+_cell_formula_units_Z                ?
+_cell_measurement_temperature        ?
+_cell_special_details
+; ?
+;
+# The next three fields give the specimen dimensions in mm.  The equatorial
+# plane contains the incident and diffracted beam.
+ 
+_pd_spec_size_axial               ?       # perpendicular to 
+                                          # equatorial plane
+_pd_spec_size_equat               ?       # parallel to 
+                                          # scattering vector
+                                          # in transmission
+_pd_spec_size_thick               ?       # parallel to 
+                                          # scattering vector
+                                          # in reflection
+ 
+# The next five fields are character fields that describe the specimen.
+ 
+_pd_spec_mounting                         # This field should be
+                                          # used to give details of the 
+                                          # container.
+; ?
+;
+_pd_spec_mount_mode               ?       # options are 'reflection'
+                                          # or 'transmission'
+_pd_spec_shape                    ?       # options are 'cylinder' 
+                                          # 'flat_sheet' or 'irregular'
+_pd_char_particle_morphology      ?
+_pd_char_colour                   ?       # use ICDD colour descriptions
+ 
+# The following three fields describe the preparation of the specimen.
+# The cooling rate is in K/min.  The pressure at which the sample was 
+# prepared is in kPa.  The temperature of preparation is in K.        
+ 
+_pd_prep_cool_rate                ?
+_pd_prep_pressure                 ?
+_pd_prep_temperature              ?
+ 
+# The next four fields are normally only needed for transmission experiments.
+ 
+_exptl_absorpt_coefficient_mu        ?
+_exptl_absorpt_correction_type       ?
+_exptl_absorpt_process_details       ?
+_exptl_absorpt_correction_T_min      ?
+_exptl_absorpt_correction_T_max      ?
+ 
+#=============================================================================
+ 
+# 7. EXPERIMENTAL DATA
+ 
+_exptl_special_details
+; ?
+;
+ 
+# The following item is used to identify the equipment used to record 
+# the powder pattern when the diffractogram was measured at a laboratory 
+# other than the authors' home institution, e.g. when neutron or synchrotron
+# radiation is used.
+ 
+_pd_instr_location
+; ?
+;
+_pd_calibration_special_details           # description of the method used
+                                          # to calibrate the instrument
+; ?
+;
+ 
+_diffrn_ambient_temperature          ?
+_diffrn_source           'nuclear reactor' 
+_diffrn_radiation_type   'Constant Wavelength Neutron Diffraction' 
+_diffrn_radiation_wavelength           1.62390
+_diffrn_source_type      ?  # Put here the diffractometer and site
+ 
+_diffrn_radiation_monochromator      ?
+_diffrn_measurement_device_type      ?
+_diffrn_measurement_method           ?
+_diffrn_detector_area_resol_mean     ? 
+_diffrn_detector                     ?
+_diffrn_detector_type                ? # make or model of detector
+_pd_meas_scan_method      ?   # options are 'step', 'cont',
+                              # 'tof', 'fixed' or
+                              # 'disp' (= dispersive)
+_pd_meas_special_details
+;  ?
+;
+ 
+#  The following four items give details of the measured (not processed)
+#  powder pattern.  Angles are in degrees.
+ 
+_pd_meas_number_of_points         3194
+_pd_meas_2theta_range_min         4.16422
+_pd_meas_2theta_range_max         163.75638
+_pd_meas_2theta_range_inc         0.049998
+ 
+#=============================================================================
+ 
+# 8. REFINEMENT DATA
+ 
+_refine_special_details
+; ?
+;
+ 
+# Use the next field to give any special details about the fitting of the
+# powder pattern.
+ 
+_pd_proc_ls_special_details
+; ?
+;
+ 
+# The next three items are given as text.
+ 
+_pd_proc_ls_profile_function      ?
+_pd_proc_ls_background_function   ?
+_pd_proc_ls_pref_orient_corr
+; ?
+;
+ 
+#  The following profile R-factors are NOT CORRECTED for background
+#  The sum is extended to all non-excluded points.
+#  These are the current CIF standard
+ 
+_pd_proc_ls_prof_R_factor                7.7826
+_pd_proc_ls_prof_wR_factor              10.5352
+_pd_proc_ls_prof_wR_expected             2.7567
+ 
+#  The following profile R-factors are CORRECTED for background
+#  The sum is extended to all non-excluded points.
+#  These items are not in the current CIF standard, but are defined above
+ 
+_pd_proc_ls_prof_cR_factor               15.4940
+_pd_proc_ls_prof_cwR_factor              17.9284
+_pd_proc_ls_prof_cwR_expected             4.6913
+ 
+#  The following items are not in the CIF standard, but are defined above
+ 
+_pd_proc_ls_prof_chi2                14.6047
+_pd_proc_ls_prof_echi2               14.9062
+ 
+#  Items related to LS refinement
+ 
+_refine_ls_R_I_factor                 4.2230
+_refine_ls_number_reflns                    28
+_refine_ls_number_parameters                 0
+_refine_ls_number_restraints                 0
+ 
+# The following four items apply to angular dispersive measurements.
+# 2theta minimum, maximum and increment (in degrees) are for the 
+# intensities used in the refinement.
+ 
+_pd_proc_2theta_range_min                4.6220
+_pd_proc_2theta_range_max              164.2142
+_pd_proc_2theta_range_inc              0.049998
+_pd_proc_wavelength                    1.623899
+ 
+_pd_block_diffractogram_id        ?  # The id used for the block containing
+                                     # the powder pattern profile (section 11)
+ 
+# Give appropriate details in the next two text fields.
+ 
+_pd_proc_info_excluded_regions    ?
+_pd_proc_info_data_reduction      ?
+ 
+# The following items are used to identify the programs used.
+ 
+_computing_data_collection           ?
+_computing_structure_solution        ?
+_computing_structure_refinement      FULLPROF
+_computing_molecular_graphics        ?
+_computing_publication_material      ?
+ 
+#=============================================================================
+ 
+# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS
+ 
+loop_
+    _atom_site_label
+    _atom_site_fract_x
+    _atom_site_fract_y
+    _atom_site_fract_z
+    _atom_site_U_iso_or_equiv
+    _atom_site_occupancy
+    _atom_site_adp_type
+    _atom_site_type_symbol
+ La  0.00000  0.00000  0.00000  0.00327  1.00000 Uiso La    
+ B  0.19972  0.50000  0.50000  0.00151  1.00016 Uiso B11   
+ 
+# Note: if the displacement parameters were refined anisotropically
+# the U matrices should be given as for single-crystal studies.
+ 
+#=============================================================================
+ 
+# 10. DISTANCES AND ANGLES / MOLECULAR GEOMETRY 
+ 
+_geom_special_details                ?
+ 
+loop_
+    _geom_bond_atom_site_label_1  
+    _geom_bond_atom_site_label_2  
+    _geom_bond_site_symmetry_1    
+    _geom_bond_site_symmetry_2    
+    _geom_bond_distance           
+    _geom_bond_publ_flag          
+    ?   ?   ?   ?   ?   ?
+ 
+loop_
+    _geom_contact_atom_site_label_1 
+    _geom_contact_atom_site_label_2 
+    _geom_contact_distance          
+    _geom_contact_site_symmetry_1   
+    _geom_contact_site_symmetry_2   
+    _geom_contact_publ_flag         
+    ?   ?   ?   ?   ?   ?
+ 
+loop_
+_geom_angle_atom_site_label_1 
+_geom_angle_atom_site_label_2 
+_geom_angle_atom_site_label_3 
+_geom_angle_site_symmetry_1   
+_geom_angle_site_symmetry_2   
+_geom_angle_site_symmetry_3   
+_geom_angle                   
+_geom_angle_publ_flag         
+?   ?   ?   ?   ?   ?   ?   ?
+ 
+loop_
+_geom_torsion_atom_site_label_1 
+_geom_torsion_atom_site_label_2 
+_geom_torsion_atom_site_label_3 
+_geom_torsion_atom_site_label_4 
+_geom_torsion_site_symmetry_1   
+_geom_torsion_site_symmetry_2   
+_geom_torsion_site_symmetry_3   
+_geom_torsion_site_symmetry_4   
+_geom_torsion                   
+_geom_torsion_publ_flag         
+?   ?   ?   ?   ?   ?   ?   ?   ?   ?
+ 
+loop_
+_geom_hbond_atom_site_label_D 
+_geom_hbond_atom_site_label_H 
+_geom_hbond_atom_site_label_A 
+_geom_hbond_site_symmetry_D   
+_geom_hbond_site_symmetry_H   
+_geom_hbond_site_symmetry_A   
+_geom_hbond_distance_DH       
+_geom_hbond_distance_HA       
+_geom_hbond_distance_DA       
+_geom_hbond_angle_DHA         
+_geom_hbond_publ_flag         
+?   ?   ?   ?   ?   ?   ?   ?   ?   ?   ?
+ 
+#=============================================================================
+ 
+#=============================================================================
+# Additional structures (last six sections and associated data_? identifiers) 
+# may be added at this point.                                                 
+#=============================================================================
+ 
+# The following lines are used to test the character set of files sent by     
+# network email or other means. They are not part of the CIF data set.        
+# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789              
+# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./ 
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.dat b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.dat
new file mode 100644
index 000000000..57eb0f9a4
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.dat
@@ -0,0 +1,3200 @@
+     3.86396     128.22   14.70975
+     3.91407     120.02   14.22598
+     3.96414     166.98   16.77884
+     4.01424     135.17   15.05058
+     4.06420     182.87   17.58951
+     4.11416     177.19   17.30471
+     4.16422     249.28   20.60029
+     4.21426     242.77   20.31934
+     4.26430     261.99   21.15273
+     4.31416     374.47   25.40466
+     4.36417     435.31   27.22361
+     4.41425     647.92   33.50702
+     4.46413     806.68   37.39521
+     4.51415     868.33   38.90596
+     4.56410    1082.78   43.80960
+     4.61404    1245.94   47.21271
+     4.66396    1161.56   45.48021
+     4.71391    1270.88   47.62860
+     4.76395    1353.10   49.39456
+     4.81391    1394.96   50.01572
+     4.86386    1344.30   49.09494
+     4.91363    1395.56   50.01088
+     4.96371    1418.44   50.58948
+     5.01377    1512.19   52.30489
+     5.06367    1533.20   52.68642
+     5.11651    1511.09   44.28691
+     5.16661    1557.83   45.91942
+     5.21668    1570.98   46.20371
+     5.26679    1524.03   45.02544
+     5.31674    1557.07   45.25249
+     5.36670    1518.49   44.31210
+     5.41676    1492.80   44.16746
+     5.46680    1467.48   43.86771
+     5.51684    1642.49   46.71440
+     5.56670    1467.95   44.03296
+     5.61672    1480.74   43.62110
+     5.66680    1504.68   44.46082
+     5.71668    1493.81   44.27740
+     5.76669    1526.23   44.96581
+     5.81665    1448.03   43.71241
+     5.86658    1480.69   44.77661
+     5.91650    1399.52   42.51775
+     5.96645    1416.73   43.43228
+     6.01649    1395.40   42.77295
+     6.06646    1287.19   40.93098
+     6.11640    1413.82   43.17433
+     6.16617    1294.07   41.81616
+     6.21625    1329.71   41.91021
+     6.26631    1295.20   41.37796
+     6.31621    1221.64   39.93496
+     6.36160    1239.25   39.87817
+     6.41170    1234.43   39.86223
+     6.46178    1176.34   39.05585
+     6.51188    1230.70   39.53897
+     6.56183    1157.69   38.54604
+     6.61180    1123.19   37.84542
+     6.66186    1173.25   38.91529
+     6.71190    1163.54   39.22373
+     6.76194    1160.56   38.59626
+     6.81179    1090.30   37.27342
+     6.86181    1089.23   38.28368
+     6.91189    1115.90   37.61273
+     6.96177    1035.09   36.20958
+     7.01179    1073.90   37.53758
+     7.06174    1088.65   37.38830
+     7.11167    1060.65   37.06623
+     7.16159    1001.18   35.33468
+     7.21155    1051.08   36.73854
+     7.26159    1038.77   35.93502
+     7.31155     987.64   35.00495
+     7.36149    1032.94   37.20297
+     7.41126    1014.73   36.44994
+     7.46135     967.70   34.78567
+     7.51141    1053.04   37.04921
+     7.56131     987.22   35.52097
+     7.61764    1027.23   31.22420
+     7.66775     957.69   30.08272
+     7.71782     950.30   29.93164
+     7.76792     965.57   30.17965
+     7.81788     908.56   29.29014
+     7.86784     990.94   30.58306
+     7.91790     948.75   29.99545
+     7.96794    1014.25   31.01891
+     8.01798     909.56   29.32125
+     8.06784     963.50   30.18412
+     8.11785     956.97   30.07273
+     8.16793     941.60   29.83879
+     8.21781     944.65   29.89604
+     8.26783     958.38   30.07567
+     8.31778     915.62   29.39662
+     8.36772     926.86   29.56226
+     8.41764     898.35   29.09659
+     8.46759     883.90   28.84589
+     8.51763     907.95   29.18159
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+   146.80452    1032.81   34.93390
+   146.85460     985.48   34.14091
+   146.90448     997.20   34.04287
+   146.95450     970.07   33.60457
+   147.00445    1017.06   34.43082
+   147.05438     973.90   33.77664
+   147.10430    1018.12   34.68001
+   147.15426     975.03   33.61863
+   147.20430     941.08   33.17101
+   147.25426     995.27   34.15144
+   147.30420     972.13   33.77458
+   147.35397     926.88   33.06065
+   147.40406     942.40   33.23534
+   147.45412     932.55   32.81417
+   147.50402     884.75   32.07564
+   147.54590     997.21   31.55637
+   147.59601    1007.54   31.75856
+   147.64608     999.21   31.60098
+   147.69618     981.48   31.26981
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+   147.79610     979.20   31.24164
+   147.84616     981.47   31.28796
+   147.89620     982.72   31.28375
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+   148.09619     993.27   31.51959
+   148.14607     969.51   31.11231
+   148.19609     980.15   31.25961
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+   148.49585     957.73   30.90084
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+   148.64565     975.71   31.27285
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+   148.74561     953.83   30.87119
+   148.79415    1020.75   32.33937
+   148.84425     970.89   31.44065
+   148.89432    1013.62   32.12018
+   148.94443     951.11   31.05333
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+   149.69413     910.73   30.48338
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+   149.89389     923.49   30.60040
+   149.94395     924.21   30.66944
+   149.99385     935.03   30.87095
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+   150.08054     889.86   28.69659
+   150.13062     877.91   28.57137
+   150.18072     917.89   29.13872
+   150.23067     910.71   29.17970
+   150.28064     879.55   28.63430
+   150.33070     824.36   27.59024
+   150.38074     826.00   27.58218
+   150.43078     931.96   29.43115
+   150.48063     875.17   28.54716
+   150.53065     890.03   28.73223
+   150.58073     872.34   28.49013
+   150.63061     868.33   28.55739
+   150.68063     885.74   28.61437
+   150.73058     902.51   29.01680
+   150.78051     902.12   28.92157
+   150.83043     894.70   28.82191
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+   150.93043     866.33   28.38440
+   150.98039     837.49   27.82012
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+   151.78499     883.92   28.61332
+   151.83507     899.11   28.87113
+   151.88495     859.02   28.13901
+   151.93497     884.14   28.55292
+   151.98492     879.13   28.42324
+   152.03486     848.79   28.03476
+   152.08478     883.27   28.51616
+   152.13473     876.83   28.41335
+   152.18477     909.83   28.88097
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+   152.28468     895.86   28.80759
+   152.33445     874.38   28.39625
+   152.38453     891.24   28.67963
+   152.43459     859.45   28.16332
+   152.48449     882.63   28.50691
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+   152.59233     867.36   29.62099
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+   152.69251     930.49   30.69182
+   152.74246     941.01   30.90681
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+   152.84248     906.28   30.31047
+   152.89252     897.26   30.18122
+   152.94256     920.82   30.57869
+   152.99242     918.64   30.48071
+   153.04244     894.43   30.06737
+   153.09252     878.50   29.78900
+   153.14240     920.57   30.54003
+   153.19241     903.93   30.22663
+   153.24237     932.33   30.79422
+   153.29230     909.28   30.47448
+   153.34222     989.14   31.71754
+   153.39217     929.18   30.65099
+   153.44221     927.63   30.68150
+   153.49218    1043.55   32.73539
+   153.54212    1043.77   32.63896
+   153.59189    1028.83   32.38296
+   153.64197    1095.20   33.41951
+   153.69203    1212.24   35.34014
+   153.74193    1330.57   37.16237
+   153.78982    1524.50   40.14896
+   153.83992    1744.39   43.06282
+   153.89000    1963.43   45.89157
+   153.94010    2426.97   51.66408
+   153.99005    2891.28   57.01515
+   154.04002    3270.53   61.11708
+   154.09008    3590.64   64.55294
+   154.14012    4248.34   71.27191
+   154.19016    4713.04   75.66626
+   154.24001    5098.39   79.12132
+   154.29003    5593.74   83.69816
+   154.34011    5817.80   85.69021
+   154.38999    6191.93   88.91917
+   154.44001    6598.96   92.05690
+   154.48996    6976.38   95.53981
+   154.53989    7353.49   98.68951
+   154.58981    7641.19  101.00027
+   154.63977    7776.45  102.08416
+   154.68981    7892.90  102.80335
+   154.73977    7917.59  103.11199
+   154.78971    7874.63  102.56580
+   154.83948    7726.31  101.33764
+   154.88957    7715.86  101.32823
+   154.93963    7527.01   99.56822
+   154.98953    7160.09   96.66515
+   155.04211    6822.30   92.64789
+   155.09222    6701.23   91.81834
+   155.14229    6248.44   87.86944
+   155.19239    5780.20   84.08024
+   155.24235    5380.80   80.62869
+   155.29231    4889.18   76.30170
+   155.34237    4403.32   71.88843
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+   155.44245    3565.15   63.93683
+   155.49231    3304.11   61.27020
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+   155.59240    2899.81   57.15163
+   155.64228    2707.41   54.86817
+   155.69230    2511.48   52.46585
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+   155.94210    1831.06   43.97836
+   155.99206    1702.58   42.33605
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+   156.14186    1403.82   38.01703
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+   156.29071    1177.96   35.08814
+   156.34081    1196.91   35.35678
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+   156.44099    1090.03   33.66532
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+   156.54090    1071.26   33.29121
+   156.59096    1022.03   32.54086
+   156.64100    1028.42   32.70127
+   156.69104     978.65   31.84446
+   156.74090     975.45   31.68415
+   156.79092     938.21   31.14279
+   156.84100     909.07   30.50027
+   156.89088     901.99   30.41532
+   156.94089     918.38   30.76343
+   156.99085     923.55   30.85906
+   157.04078     980.39   31.77982
+   157.09070     929.91   30.91286
+   157.14065     909.48   30.53000
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+   157.24066     913.51   30.66433
+   157.29060     927.18   30.81869
+   157.34037     914.94   30.62365
+   157.39045     875.70   29.93575
+   157.44051     871.56   29.93901
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+   157.52900     880.75   32.52786
+   157.57910     870.53   32.23168
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+   157.67928     894.07   32.75523
+   157.72923     906.30   32.87920
+   157.77920     892.17   32.71562
+   157.82926     918.69   33.09258
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+   157.92934     910.07   32.97279
+   157.97919     832.95   31.38664
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+   158.07929     881.02   32.57274
+   158.12917     910.25   33.13062
+   158.17919     834.55   31.69123
+   158.22914     887.76   32.62221
+   158.27907     869.35   32.22568
+   158.32899     852.43   31.84833
+   158.37895     897.17   32.74249
+   158.42899     904.44   32.85208
+   158.47895     899.39   32.71075
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+   158.57866     886.55   32.47751
+   158.62875     888.35   32.58338
+   158.67881     894.56   32.73310
+   158.72871     887.59   32.77378
+   158.78279     933.20   34.52194
+   158.83290     920.73   34.33000
+   158.88297     858.56   32.98784
+   158.93307     873.86   33.29706
+   158.98303     898.25   34.01858
+   159.03299     865.06   33.21605
+   159.08305     905.02   33.90579
+   159.13309     924.46   34.32508
+   159.18313     881.28   33.51290
+   159.23299     858.94   33.01082
+   159.28300     933.10   34.45476
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+   159.38296     936.92   34.53387
+   159.43298     882.29   33.44340
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+   159.53287     935.60   34.51630
+   159.58279     930.18   34.41008
+   159.63274     901.98   33.92184
+   159.68278     941.62   34.58852
+   159.73274     963.43   35.09688
+   159.78269     864.83   33.09005
+   159.83246     941.26   34.63923
+   159.88254     912.89   34.06136
+   159.93260     964.01   35.06506
+   159.98250     944.89   34.76214
+   160.04124     963.06   38.84344
+   160.09134     913.88   38.80687
+   160.14141     960.61   39.36048
+   160.19152     973.14   38.72545
+   160.24147     943.27   38.88427
+   160.29143     880.56   37.14738
+   160.34149     928.16   38.07312
+   160.39153     907.78   37.66358
+   160.44157     901.10   37.52909
+   160.49143     919.39   38.20766
+   160.54145     937.45   38.64639
+   160.59153     946.58   39.08937
+   160.64141     959.96   39.07453
+   160.69142     902.51   37.46389
+   160.74138     895.89   37.30808
+   160.79131     999.19   39.71634
+   160.84123     911.04   37.57689
+   160.89118     961.51   38.90232
+   160.94122     936.45   38.25719
+   160.99119     945.28   38.55431
+   161.04113     933.90   38.39761
+   161.09090     939.15   39.11374
+   161.14098     983.45   39.47205
+   161.19104     902.91   38.21368
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+   161.34708     960.85   43.41070
+   161.39716     908.65   41.95650
+   161.44726     938.06   42.91270
+   161.49721     886.22   41.40142
+   161.54718     934.11   42.51897
+   161.59724     923.08   42.14640
+   161.64728     947.87   42.68314
+   161.69732    1005.47   44.46308
+   161.74717     920.53   42.47510
+   161.79719     957.30   43.00700
+   161.84727    1002.40   44.50616
+   161.89715     937.29   42.47485
+   161.94717     924.22   42.38715
+   161.99712     925.53   42.39953
+   162.04705     953.83   43.04054
+   162.09697     878.26   41.14927
+   162.14693     905.23   41.92253
+   162.19697     925.70   42.38441
+   162.24693     878.28   41.21950
+   162.29687     858.43   40.64464
+   162.34664     913.07   42.10744
+   162.39673     889.83   41.77126
+   162.44679     926.53   42.42525
+   162.49669     902.39   41.95989
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+   162.60678     905.06   59.63691
+   162.65685     944.70   60.34922
+   162.70695     935.82   60.16765
+   162.75691     957.39   61.51882
+   162.80687     909.22   59.81775
+   162.85693     988.54   62.42153
+   162.90697     923.08   59.93307
+   162.95701     907.31   59.85053
+   163.00687     893.08   59.01023
+   163.05688     911.54   59.38296
+   163.10697     983.70   62.55153
+   163.15684    1060.96   64.80656
+   163.20686     928.88   60.18505
+   163.25682     960.16   61.30208
+   163.30675     968.35   61.09286
+   163.35667     961.79   61.49296
+   163.40662     954.64   60.84633
+   163.45666     916.09   59.58318
+   163.50662     981.89   62.79669
+   163.55657     916.63   59.44997
+   163.60634     919.80   60.33181
+   163.65642     972.91   61.70115
+   163.70648    1058.06   64.34230
+   163.75638    1061.08   64.75653
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.out b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.out
new file mode 100644
index 000000000..0c54a52e7
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.out
@@ -0,0 +1,692 @@
+
+
+        **********************************************************
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
+        **********************************************************
+                       M U L T I -- P A T T E R N                 
+            Rietveld, Profile Matching & Integrated Intensity     
+                 Refinement of X-ray and/or Neutron Data
+
+
+    Date: 09/06/2026  Time: 12:42:00.856                              
+
+ => PCR file code: ECH0030684_LaB6_1p622A_noAbs_noSLDL
+ => DAT file code: ECH0030684_LaB6_1p62 -> Relative contribution: 1.0000                                                            
+
+ ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
+
+ => Global Refinement of neutron powder data                                                                                        
+ => Title: LaB6 Ge(331)
+
+ => Number of phases:    1
+ => Number of excluded regions:    2
+ => Number of scattering factors supplied:    1
+ => Conventional weights: w=1.0/Variance(yobs)
+ => Asymmetry correction as in J.Appl.Cryst. 26,128(1993)
+ => Background refined by polynomial function
+ => The    7th default profile function was selected
+ => T-C-H Pseudo-Voigt function 
+    This function is convoluted with asymmetry due to axial 
+    divergence as formulated by: 
+    van Laar and Yelon, J. Appl. Cryst. 17, 47(1984).
+    and using the method of:
+    Finger, Cox and Jephcoat, J. Appl. Cryst. 27, 892 (1994).
+    Fortran 90 module adapted from function PROFVAL (in F77) : 
+    L.W. Finger, J. Appl. Cryst. 31, 111 (1998).
+
+
+ ==> INPUT/OUTPUT OPTIONS:
+
+ => Output Obs and Calc intensities on last cycle
+ => Generate bacground file *.bac
+ => Generate file *.PRF for plot
+ => Output Integrated Intensities
+ => Generate new input file *.PCR
+
+ => X-Y type of data: 2theta/TOF/E(Kev) Intens sigma for pattern:  1
+ => Plot pattern at each cycle
+ => Wavelengths:  1.62390 1.62390
+ => Alpha2/Alpha1 ratio:   0.0000
+ => Cos(Monochromator angle)=   0.0000
+ => Asymmetry correction for angles lower than  180.000 degrees
+ => Absorption correction (AC), muR-eff =   0.0000  0.0000
+ => Base of peaks: 2.0*HW*   12.00
+
+ => Number of cycles:  200
+ => Relaxation factors ==>    for coordinates:  0.04
+ => for anisotropic temperature factors:  0.04
+ => for halfwidth/strain/size/further parameters:  0.04
+ => for lattice constants and propagation vectors:  0.04
+ => EPS-value for convergence:    0.1
+
+ => Excluded regions for Pattern#  1
+    From     to
+      0.0000     10.0000
+    164.0000    180.0000
+
+ => Scattering lengths (real & imaginary parts) ==>
+    For B11    0.665000  0.000000
+ => Number of Least-Squares parameters varied:     0
+
+ =>--------------------------->
+ =>------->  PATTERN number:  1
+ =>--------------------------->
+ => Global parameters and codes ==>
+ => Zero-point:    -0.4578    0.0000
+ => Background parameters and codes ==>
+ => Origin of polynomial at 2theta/TOF/E(KeV):   80.000  
+  777.35      52.434      365.76      14.659     -415.68      0.0000    
+        0.00        0.00        0.00        0.00        0.00        0.00
+ => Perpendicular Displacement parameter and code:     0.01    0.00
+ => Parallel      Displacement parameter and code:     0.24    0.00
+
+ => Reading Intensity data  =>>
+
+ -> No recognizable heading in input data file X,Y,sigma
+    First 6 lines are considered as COMMENTS (except for TSAMP keyword)
+ -> COMMENT:      3.86396     128.22   14.70975                                                                                                  
+ -> COMMENT:      3.91407     120.02   14.22598                                                                                                  
+ -> COMMENT:      3.96414     166.98   16.77884                                                                                                  
+ -> COMMENT:      4.01424     135.17   15.05058                                                                                                  
+ -> COMMENT:      4.06420     182.87   17.58951                                                                                                  
+ -> COMMENT:      4.11416     177.19   17.30471                                                                                                  
+ ==> Angular range, step and number of points:
+     2Thmin:       4.164220  2Thmax:     163.756378  Step:       0.049998  No. of points:   3194
+ --------------------------------------------------------------------------------
+ => Phase  No. 1
+      nuclear                                                               
+ --------------------------------------------------------------------------------
+ =>-------> Pattern#  1
+ => Crystal Structure Refinement
+ => Preferred orientation vector:   0.0000  0.0000  1.0000
+
+ =>-------> Data for PHASE: 1
+ => Number of atoms:    2
+ => Number of distance  constraints:    0
+ => Number of angle     constraints:    0
+
+ => Symmetry information on space group: P m -3 m            
+ -> The multiplicity of the general position is:  48
+ -> The space group is Centric (-1 at origin)   
+ -> Lattice type  P: { 000 }                                       
+ -> Reduced set of symmetry operators:
+
+  No.  IT   Symmetry symbol    Rotation part     Associated Translation
+   1: ( 1)   1            -->     ( x, y, z) + {  0.0000  0.0000  0.0000}
+   2: ( 4)   2 ( x, 0, 0) -->     ( x,-y,-z) + {  0.0000  0.0000  0.0000}
+   3: ( 3)   2 ( 0, y, 0) -->     (-x, y,-z) + {  0.0000  0.0000  0.0000}
+   4: ( 2)   2 ( 0, 0, z) -->     (-x,-y, z) + {  0.0000  0.0000  0.0000}
+   5: ( 9)  3- ( x, x, x) -->     ( y, z, x) + {  0.0000  0.0000  0.0000}
+   6: (12)  3- (-x, x,-x) -->     (-y,-z, x) + {  0.0000  0.0000  0.0000}
+   7: (11)  3- (-x,-x, x) -->     ( y,-z,-x) + {  0.0000  0.0000  0.0000}
+   8: (10)  3- ( x,-x,-x) -->     (-y, z,-x) + {  0.0000  0.0000  0.0000}
+   9: ( 5)  3+ ( x, x, x) -->     ( z, x, y) + {  0.0000  0.0000  0.0000}
+  10: ( 8)  3+ (-x,-x, x) -->     (-z, x,-y) + {  0.0000  0.0000  0.0000}
+  11: ( 7)  3+ ( x,-x,-x) -->     (-z,-x, y) + {  0.0000  0.0000  0.0000}
+  12: ( 6)  3+ (-x, x,-x) -->     ( z,-x,-y) + {  0.0000  0.0000  0.0000}
+  13: (14)   2 ( x,-x, 0) -->     (-y,-x,-z) + {  0.0000  0.0000  0.0000}
+  14: (15)  4- ( 0, 0, z) -->     ( y,-x, z) + {  0.0000  0.0000  0.0000}
+  15: (16)  4+ ( 0, 0, z) -->     (-y, x, z) + {  0.0000  0.0000  0.0000}
+  16: (13)   2 ( x, x, 0) -->     ( y, x,-z) + {  0.0000  0.0000  0.0000}
+  17: (24)   2 (-x, 0, x) -->     (-z,-y,-x) + {  0.0000  0.0000  0.0000}
+  18: (21)  4+ ( 0, y, 0) -->     ( z, y,-x) + {  0.0000  0.0000  0.0000}
+  19: (22)   2 ( x, 0, x) -->     ( z,-y, x) + {  0.0000  0.0000  0.0000}
+  20: (23)  4- ( 0, y, 0) -->     (-z, y, x) + {  0.0000  0.0000  0.0000}
+  21: (19)   2 ( 0, y,-y) -->     (-x,-z,-y) + {  0.0000  0.0000  0.0000}
+  22: (18)   2 ( 0, y, y) -->     (-x, z, y) + {  0.0000  0.0000  0.0000}
+  23: (17)  4- ( x, 0, 0) -->     ( x, z,-y) + {  0.0000  0.0000  0.0000}
+  24: (20)  4+ ( x, 0, 0) -->     ( x,-z, y) + {  0.0000  0.0000  0.0000}
+
+
+        Information on Space Group: 
+        --------------------------- 
+
+ =>   Number of Space group: 221
+ =>  Hermann-Mauguin Symbol: P m -3 m
+ =>             Hall Symbol: -P 4 2 3
+ =>            Setting Type: IT (Generated from Hermann-Mauguin symbol)
+ =>          Crystal System: Cubic
+ =>              Laue Class: m-3m
+ =>             Point Group: m-3m
+ =>         Bravais Lattice: P
+ =>          Lattice Symbol: cP
+ =>  Reduced Number of S.O.:  24
+ =>    General multiplicity:  48
+ =>          Centrosymmetry: Centric (-1 at origin)
+ =>  Generators (exc. -1&L):   3
+ =>         Asymmetric unit:  0.000 <= x <=  0.500
+                              0.000 <= y <=  0.500
+                              0.000 <= z <=  0.500
+ => Centring vectors:  0
+                                                                                                    
+
+ => List of all Symmetry Operators and Symmetry Symbols
+
+ => SYMM(  1): x,y,z                             Symbol: 1
+ => SYMM(  2): x,-y,-z                           Symbol: 2 x,0,0
+ => SYMM(  3): -x,y,-z                           Symbol: 2 0,y,0
+ => SYMM(  4): -x,-y,z                           Symbol: 2 0,0,z
+ => SYMM(  5): y,z,x                             Symbol: 3- x,x,x
+ => SYMM(  6): -y,-z,x                           Symbol: 3+ x,-x,x
+ => SYMM(  7): y,-z,-x                           Symbol: 3+ x,x,-x
+ => SYMM(  8): -y,z,-x                           Symbol: 3- x,-x,-x
+ => SYMM(  9): z,x,y                             Symbol: 3+ x,x,x
+ => SYMM( 10): -z,x,-y                           Symbol: 3- x,x,-x
+ => SYMM( 11): -z,-x,y                           Symbol: 3+ x,-x,-x
+ => SYMM( 12): z,-x,-y                           Symbol: 3- x,-x,x
+ => SYMM( 13): y,x,z                             Symbol: m x,x,z
+ => SYMM( 14): -y,x,-z                           Symbol: -4- 0,0,z; 0,0,0
+ => SYMM( 15): y,-x,-z                           Symbol: -4+ 0,0,z; 0,0,0
+ => SYMM( 16): -y,-x,z                           Symbol: m x,-x,z
+ => SYMM( 17): z,y,x                             Symbol: m x,y,x
+ => SYMM( 18): -z,-y,x                           Symbol: -4+ 0,y,0; 0,0,0
+ => SYMM( 19): -z,y,-x                           Symbol: m x,y,-x
+ => SYMM( 20): z,-y,-x                           Symbol: -4- 0,y,0; 0,0,0
+ => SYMM( 21): x,z,y                             Symbol: m x,y,y
+ => SYMM( 22): x,-z,-y                           Symbol: m x,y,-y
+ => SYMM( 23): -x,-z,y                           Symbol: -4- x,0,0; 0,0,0
+ => SYMM( 24): -x,z,-y                           Symbol: -4+ x,0,0; 0,0,0
+ => SYMM( 25): -x,-y,-z                          Symbol: -1 0,0,0
+ => SYMM( 26): -x,y,z                            Symbol: m 0,y,z
+ => SYMM( 27): x,-y,z                            Symbol: m x,0,z
+ => SYMM( 28): x,y,-z                            Symbol: m x,y,0
+ => SYMM( 29): -y,-z,-x                          Symbol: -3- x,x,x; 0,0,0
+ => SYMM( 30): y,z,-x                            Symbol: -3+ x,-x,x; 0,0,0
+ => SYMM( 31): -y,z,x                            Symbol: -3+ x,x,-x; 0,0,0
+ => SYMM( 32): y,-z,x                            Symbol: -3- x,-x,-x; 0,0,0
+ => SYMM( 33): -z,-x,-y                          Symbol: -3+ x,x,x; 0,0,0
+ => SYMM( 34): z,-x,y                            Symbol: -3- x,x,-x; 0,0,0
+ => SYMM( 35): z,x,-y                            Symbol: -3+ x,-x,-x; 0,0,0
+ => SYMM( 36): -z,x,y                            Symbol: -3- x,-x,x; 0,0,0
+ => SYMM( 37): -y,-x,-z                          Symbol: 2 x,-x,0
+ => SYMM( 38): y,-x,z                            Symbol: 4- 0,0,z
+ => SYMM( 39): -y,x,z                            Symbol: 4+ 0,0,z
+ => SYMM( 40): y,x,-z                            Symbol: 2 x,x,0
+ => SYMM( 41): -z,-y,-x                          Symbol: 2 x,0,-x
+ => SYMM( 42): z,y,-x                            Symbol: 4+ 0,y,0
+ => SYMM( 43): z,-y,x                            Symbol: 2 x,0,x
+ => SYMM( 44): -z,y,x                            Symbol: 4- 0,y,0
+ => SYMM( 45): -x,-z,-y                          Symbol: 2 0,y,-y
+ => SYMM( 46): -x,z,y                            Symbol: 2 0,y,y
+ => SYMM( 47): x,z,-y                            Symbol: 4- x,0,0
+ => SYMM( 48): x,-z,y                            Symbol: 4+ x,0,0
+
+ => Special Wyckoff Positions for P m -3 m
+ 
+    Multp     Site        Representative Coordinates (centring translations excluded)
+     24       m              x,x,z               x,-x,-z             -x,x,-z                                 
+                             -x,-x,z             x,z,x               -x,-z,x                                 
+                             x,-z,-x             -x,z,-x             z,x,x                                   
+                             -z,x,-x             -z,-x,x             z,-x,-x                                 
+                             -x,-x,-z            -x,x,z              x,-x,z                                  
+                             x,x,-z              -x,-z,-x            x,z,-x                                  
+                             -x,z,x              x,-z,x              -z,-x,-x                                
+                             z,-x,x              z,x,-x              -z,x,x                                  
+ 
+     24       l              1/2,y,z             1/2,-y,-z           1/2,y,-z                                
+                             1/2,-y,z            y,z,1/2             -y,-z,1/2                               
+                             y,-z,1/2            -y,z,1/2            z,1/2,y                                 
+                             -z,1/2,-y           -z,1/2,y            z,1/2,-y                                
+                             y,1/2,z             -y,1/2,-z           y,1/2,-z                                
+                             -y,1/2,z            z,y,1/2             -z,-y,1/2                               
+                             -z,y,1/2            z,-y,1/2            1/2,z,y                                 
+                             1/2,-z,-y           1/2,-z,y            1/2,z,-y                                
+ 
+     24       k              0,y,z               0,-y,-z             0,y,-z                                  
+                             0,-y,z              y,z,0               -y,-z,0                                 
+                             y,-z,0              -y,z,0              z,0,y                                   
+                             -z,0,-y             -z,0,y              z,0,-y                                  
+                             y,0,z               -y,0,-z             y,0,-z                                  
+                             -y,0,z              z,y,0               -z,-y,0                                 
+                             -z,y,0              z,-y,0              0,z,y                                   
+                             0,-z,-y             0,-z,y              0,z,-y                                  
+ 
+     12       j              1/2,y,y             1/2,-y,-y           1/2,y,-y                                
+                             1/2,-y,y            y,y,1/2             -y,-y,1/2                               
+                             y,-y,1/2            -y,y,1/2            y,1/2,y                                 
+                             -y,1/2,-y           -y,1/2,y            y,1/2,-y                                
+ 
+     12       i              0,y,y               0,-y,-y             0,y,-y                                  
+                             0,-y,y              y,y,0               -y,-y,0                                 
+                             y,-y,0              -y,y,0              y,0,y                                   
+                             -y,0,-y             -y,0,y              y,0,-y                                  
+ 
+     12       h              x,1/2,0             -x,1/2,0            1/2,0,x                                 
+                             1/2,0,-x            0,x,1/2             0,-x,1/2                                
+                             1/2,x,0             1/2,-x,0            0,1/2,x                                 
+                             0,1/2,-x            x,0,1/2             -x,0,1/2                                
+ 
+      8       g              x,x,x               x,-x,-x             -x,x,-x                                 
+                             -x,-x,x             -x,-x,-x            -x,x,x                                  
+                             x,-x,x              x,x,-x                                                      
+ 
+      6       f              x,1/2,1/2           -x,1/2,1/2          1/2,1/2,x                               
+                             1/2,1/2,-x          1/2,x,1/2           1/2,-x,1/2                              
+ 
+      6       e              x,0,0               -x,0,0              0,0,x                                   
+                             0,0,-x              0,x,0               0,-x,0                                  
+ 
+      3       d              1/2,0,0             0,0,1/2             0,1/2,0                                 
+ 
+      3       c              0,1/2,1/2           1/2,1/2,0           1/2,0,1/2                               
+ 
+      1       b              1/2,1/2,1/2                                                                     
+ 
+      1       a              0,0,0                                                                           
+ 
+
+ => Initial parameters ==>
+ Atom    Ntyp                  X         Y         Z         B         occ.         in  fin  Spc  Mult
+                             B11       B22       B33       B12       B13       B23
+ La     La                 0.00000   0.00000   0.00000   0.25812   0.02083           0    0    0    1
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ B      B11                0.19972   0.50000   0.50000   0.11925   0.12500           0    0    0    6
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+
+ => It is assumed that THE FIRST GIVEN SITE plus all the other atoms 
+    occupying THE SAME POSITION have a total full occupation (no vacancies!)
+  (if this is not the case, change the order of atoms to obtain correct values for the content of the unit cell)
+    The given occupation factors have been obtained mutiplying m/M by   0.0208
+      -> Atom: La  ,  Chemical element: LA  Atomic Mass:   138.9055
+      -> Atom: B11 ,  Chemical element: B   Atomic Mass:    10.8100
+ => The given value of ATZ is        203.71 the program has calculated:         203.71
+    The value of ATZ given in the input PCR file will be used for quantitative analysis
+ => The chemical content of the unit cell is: 
+       1.0000 La   +   6.0010 B11    
+ => The normalized site occupation numbers in % are: 
+     100.0000 La     :      100.0160 B        
+ => The density (volumic mass) of the compound is:    4.711 g/cm3
+
+ =>-------> PROFILE PARAMETERS FOR PATTERN:  1
+
+ => Overall scale factor:    42.9837    
+ => ETA (p-Voigt) OR M (Pearson VII):   0.0000
+ => Overall temperature factor:      0.00000
+ => Halfwidth U,V,W:      0.14343    -0.52314     0.59041
+ => X and Y parameters:       0.0000      0.0545
+ => Direct cell parameters:    4.1569   4.1569   4.1569  90.0000  90.0000  90.0000
+ => Preferred orientation parameters:   0.0000  0.0000
+ => Asymmetry parameters     :      0.00000     0.00000     0.00000     0.00000
+ => Strain parameters        :      0.00000     0.00000     0.00000
+ => Size   parameters        :      0.00000     0.00000
+ => Further shape parameters (S_L and D_L):   0.00000   0.00000
+    S_L is source width/detector distance
+    D_L is detector width/detector distance
+
+ ==> CODEWORDS FOR PROFILE PARAMETERS of PATTERN#  1
+
+ => Overall scale factor:    0.000
+ => ETA (p-Voigt) OR M (Pearson VII):    0.000
+ => Overall temperature factor:    0.000
+ => Halfwidth U,V,W:    0.000   0.000   0.000
+ => X and Y parameters:    0.000   0.000
+ => Direct cell parameters:    0.000   0.000   0.000   0.000   0.000   0.000
+ => Preferred orientation parameters:    0.000   0.000
+ => Asymmetry parameters     :    0.000   0.000   0.000   0.000
+ => Strain parameters        :    0.000   0.000   0.000
+ => Size   parameters        :    0.000   0.000
+
+ => Cell constraints according to Laue symmetry: m-3m 
+
+        Metric information:
+        -------------------
+
+ => Direct cell parameters:
+
+         a =       4.1569      b =       4.1569      c =       4.1569
+     alpha =       90.000   beta =       90.000  gamma =       90.000
+                        Direct Cell Volume =      71.8297
+
+ => Reciprocal cell parameters:
+
+         a*=     0.240565      b*=     0.240565      c*=     0.240565
+     alpha*=       90.000   beta*=       90.000  gamma*=       90.000
+                    Reciprocal Cell Volume =   0.01392182
+
+ => Direct and Reciprocal Metric Tensors:
+
+                   GD                                       GR
+     17.2797      0.0000      0.0000          0.057871    0.000000    0.000000
+      0.0000     17.2797      0.0000          0.000000    0.057871    0.000000
+      0.0000      0.0000     17.2797          0.000000    0.000000    0.057871
+
+ =>  Cartesian frame: x // a; z is along c*; y is within the ab-plane   
+
+     Crystal_to_Orthonormal_Matrix              Orthonormal_to_Crystal Matrix
+              Cr_Orth_cel                               Orth_Cr_cel  
+      4.1569      0.0000      0.0000          0.240565   -0.000000   -0.000000
+      0.0000      4.1569      0.0000          0.000000    0.240565   -0.000000
+      0.0000      0.0000      4.1569          0.000000    0.000000    0.240565
+
+     Busing-Levy B-matrix: Hc=B.H            Inverse of the Busing-Levy B-matrix
+                BL_M                                      BL_Minv  
+    0.240565    0.000000    0.000000            4.1569     -0.0000     -0.0000
+    0.000000    0.240565   -0.000000            0.0000      4.1569      0.0000
+    0.000000    0.000000    0.240565            0.0000      0.0000      4.1569
+
+ => Laue symmetry m-3m  will be used to generate HKL for pattern#   1
+ => Reflections generated between S(1/d)min:  0.0447 A-1 and S(1/d)max:  1.2316 A-1
+ =>                                    dmax: 22.3483 A   and      dmin:  0.8120 A
+ => The number of reflections generated is:     28
+ => The max. scatt. variable (gen.ref.) is:       179.0000
+ => Scattering coefficients from internal table
+
+ => Scattering lengths:
+
+ La     0.8240
+  
+ 
+ => No optimization for routine tasks
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+
+ => CYCLE No.:    1
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: nuclear
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => New parameters, shifts, and standard deviations
+
+ Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
+
+ La       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.25812 0.00000 0.00000  0.02083 0.00000 0.00000
+ B        0.19972 0.00000 0.00000  0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.11925 0.00000 0.00000  0.12500 0.00000 0.00000
+
+ ==> PROFILE PARAMETERS FOR PATTERN#  1
+
+ => Overall scale factor:     42.983741760     0.000000000     0.000000000
+ => Eta(p-Voigt) or m(Pearson VII):   0.000000  0.000000  0.000000
+ => Overall tem. factor:     0.000000    0.000000    0.000000
+ => Halfwidth parameters: 
+         0.143431    0.000000    0.000000
+        -0.523140    0.000000    0.000000
+         0.590412    0.000000    0.000000
+ => Cell parameters: 
+        4.156885    0.000000    0.000000
+        4.156885    0.000000    0.000000
+        4.156885    0.000000    0.000000
+       90.000000    0.000000    0.000000
+       90.000000    0.000000    0.000000
+       90.000000    0.000000    0.000000
+ => Preferred orientation: 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => Asymmetry parameters: 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => X and Y parameters: 
+         0.000000    0.000000    0.000000
+         0.054515    0.000000    0.000000
+ => Strain parameters: 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => Size   parameters (G,L): 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => Further shape parameters (S_L and D_L): 
+       0.000000  0.000000  0.000000
+       0.000000  0.000000  0.000000
+
+ ==> GLOBAL PARAMETERS FOR PATTERN#  1
+
+
+ => Zero-point:    -0.4578    0.0000    0.0000
+ => Background Polynomial Parameters ==>
+       777.35      0.0000      0.0000    
+       52.434      0.0000      0.0000    
+       365.76      0.0000      0.0000    
+       14.659      0.0000      0.0000    
+      -415.68      0.0000      0.0000    
+       0.0000      0.0000      0.0000    
+
+ => Cos(2theta)-shift parameter :   0.0115  0.0000  0.0000
+ => Sin(2theta)-shift parameter :   0.2433  0.0000  0.0000
+
+ ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
+
+ => R-Factors:   7.78      10.5     Chi2:  14.6     DW-Stat.:  0.2426   Patt#:  1
+ => Expected :            2.76                                1.8880
+ => Deviance : 0.646E+05     Dev*:   21.01    
+ => GoF-index:  3.8         Sqrt(Residual/N)
+ => N-P+C:  3076
+
+ =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
+     0.3952E+06    0.5079E+07    0.5000E+07    0.4048E+07    0.4492E+05     0.000    
+
+
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   15.5      17.9      4.69      14.60    
+ => (Values obtained using Ynet, but true sigma(y))
+ =>  SumYnet, Sum(w Ynet**2):     0.2551E+07    0.1398E+07
+
+
+ ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
+
+ => R-Factors:   7.83      10.6     Chi2:  14.9     DW-Stat.:  0.2429   Patt#:
+ => Expected :            2.74                                1.8867
+ => Deviance : 0.646E+05     Dev*:   21.45    
+ => GoF-index:  3.9         Sqrt(Residual/N)
+ => N-P+C:  3009
+
+ =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
+     0.3936E+06    0.5027E+07    0.4949E+07    0.4001E+07    0.4485E+05     0.000    
+
+
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   15.4      17.9      4.64      14.91    
+ => (Values obtained using Ynet, but true sigma(y))
+ =>  SumYnet, Sum(w Ynet**2):     0.2551E+07    0.1398E+07
+
+
+ => Global user-weigthed Chi2 (Bragg contrib.):   14.9    
+
+ => ---------> Pattern#  1
+ => Phase:  1
+ =>    Bragg R-factor:  4.22    
+ =>    RF-factor     :  2.27    
+
+
+   Standard deviations have to be multiplied by: 3.3186
+   (correlated residuals) See references:
+  -J.F.Berar & P.Lelann, J. Appl. Cryst. 24, 1-5 (1991) 
+  -J.F.Berar, Acc. in Pow. Diff. II,NIST Sp.Pub. 846, 63(1992) 
+
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+
+ => CYCLE No.:    1
+ =>  Convergence reached at this CYCLE !!!!
+ =>  Parameter shifts set to zero
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: nuclear
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => New parameters, shifts, and standard deviations
+
+ Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
+
+ La       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.25812 0.00000 0.00000  0.02083 0.00000 0.00000
+ B        0.19972 0.00000 0.00000  0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.11925 0.00000 0.00000  0.12500 0.00000 0.00000
+
+ ==> PROFILE PARAMETERS FOR PATTERN#  1
+
+ => Overall scale factor:     42.983741760     0.000000000     0.000000000
+ => Eta(p-Voigt) or m(Pearson VII):   0.000000  0.000000  0.000000
+ => Overall tem. factor:     0.000000    0.000000    0.000000
+ => Halfwidth parameters: 
+         0.143431    0.000000    0.000000
+        -0.523140    0.000000    0.000000
+         0.590412    0.000000    0.000000
+ => Cell parameters: 
+        4.156885    0.000000    0.000000
+        4.156885    0.000000    0.000000
+        4.156885    0.000000    0.000000
+       90.000000    0.000000    0.000000
+       90.000000    0.000000    0.000000
+       90.000000    0.000000    0.000000
+ => Preferred orientation: 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => Asymmetry parameters: 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => X and Y parameters: 
+         0.000000    0.000000    0.000000
+         0.054515    0.000000    0.000000
+ => Strain parameters: 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => Size   parameters (G,L): 
+         0.000000    0.000000    0.000000
+         0.000000    0.000000    0.000000
+ => Further shape parameters (S_L and D_L): 
+       0.000000  0.000000  0.000000
+       0.000000  0.000000  0.000000
+
+ ==> GLOBAL PARAMETERS FOR PATTERN#  1
+
+
+ => Zero-point:    -0.4578    0.0000    0.0000
+ => Background Polynomial Parameters ==>
+       777.35      0.0000      0.0000    
+       52.434      0.0000      0.0000    
+       365.76      0.0000      0.0000    
+       14.659      0.0000      0.0000    
+      -415.68      0.0000      0.0000    
+       0.0000      0.0000      0.0000    
+
+ => Cos(2theta)-shift parameter :   0.0115  0.0000  0.0000
+ => Sin(2theta)-shift parameter :   0.2433  0.0000  0.0000
+
+ ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
+
+ => R-Factors:   7.78      10.5     Chi2:  14.6     DW-Stat.:  0.2426   Patt#:  1
+ => Expected :            2.76                                1.8880
+ => Deviance : 0.646E+05     Dev*:   21.01    
+ => GoF-index:  3.8         Sqrt(Residual/N)
+ => N-P+C:  3076
+
+ =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
+     0.3952E+06    0.5079E+07    0.5000E+07    0.4048E+07    0.4492E+05     0.000    
+
+
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   15.5      17.9      4.69      14.60    
+ => (Values obtained using Ynet, but true sigma(y))
+ =>  SumYnet, Sum(w Ynet**2):     0.2551E+07    0.1398E+07
+
+ => N-sigma of the GoF:      533.539
+
+ ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
+
+ => R-Factors:   7.83      10.6     Chi2:  14.9     DW-Stat.:  0.2429   Patt#:
+ => Expected :            2.74                                1.8867
+ => Deviance : 0.646E+05     Dev*:   21.45    
+ => GoF-index:  3.9         Sqrt(Residual/N)
+ => N-P+C:  3009
+
+ =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
+     0.3936E+06    0.5027E+07    0.4949E+07    0.4001E+07    0.4485E+05     0.000    
+
+
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   15.4      17.9      4.64      14.91    
+ => (Values obtained using Ynet, but true sigma(y))
+ =>  SumYnet, Sum(w Ynet**2):     0.2551E+07    0.1398E+07
+
+ => N-sigma of the GoF:      539.393
+
+ => Global user-weigthed Chi2 (Bragg contrib.):   14.9    
+
+ => ---------> Pattern#  1
+ => Phase:  1
+ =>    Bragg R-factor:  4.22    
+ =>    RF-factor     :  2.27    
+
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
+ Pattern#  1 Phase No.:   1 Phase name: nuclear
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
+
+   No.  Code     H   K   L  Mult     Hw         2theta      Icalc       Iobs      Sigma      HwG     HwL       ETA       d-hkl        CORR
+
+      1   1      1   0   0     6  0.731118      22.528     6949.2     7057.6     33.001  0.701364  0.055586  0.101148  4.156885     80.176331
+      2   1      1   1   0    12  0.702600      32.071     6104.7     6583.1     29.956  0.672236  0.056722  0.107230  2.939362     81.815392
+      3   1      1   1   1     8  0.679762      39.549     6674.5     6863.5     26.045  0.648748  0.057931  0.113019  2.399979     37.137444
+      4   1      2   0   0     6  0.659592      45.990     5216.2     4851.6     23.203  0.627882  0.059221  0.118881  2.078443     21.354900
+      5   1      2   1   0    24  0.640918      51.795     2778.1     2718.2     17.823  0.608463  0.060601  0.124990  1.859016     69.928001
+      6   1      2   1   1    24  0.623134      57.168     2952.4     3174.3     24.444  0.589877  0.062082  0.131469  1.697041     59.697586
+      7   1      2   2   0    12  0.588854      67.073        0.0        0.0      0.013  0.553791  0.065402  0.145986  1.469681     23.583893
+      8   1      2   2   1    24  0.571917      71.744    20334.6    21435.4     45.252  0.535829  0.067275  0.154266  1.385628     43.127769
+      9   1      3   0   0     6  0.571917      71.744     3848.2     4056.5      8.564  0.535829  0.067275  0.154266  1.385628     10.781942
+     10   1      3   1   0    24  0.554906      76.293    13005.2    13624.4     34.898  0.517696  0.069319  0.163416  1.314523     39.994278
+     11   1      3   1   1    24  0.537709      80.756      471.5      478.1      8.235  0.499260  0.071562  0.173610  1.253348     37.534580
+     12   1      2   2   2     8  0.520242      85.162     2839.8     2758.5     18.363  0.480417  0.074037  0.185059  1.199989     11.865570
+     13   1      3   2   0    24  0.502457      89.539      397.3      333.1     10.378  0.461090  0.076788  0.198015  1.152913     34.079453
+     14   1      3   2   1    48  0.484361      93.914      417.4      468.8     15.046  0.441249  0.079870  0.212779  1.110974     65.831009
+     15   1      4   0   0     6  0.447798     102.761     4740.5     4691.8     24.114  0.400379  0.087343  0.249114  1.039221      7.873926
+     16   1      3   2   2    24  0.430170     107.288     4358.2     4701.5     20.235  0.380031  0.091962  0.271309  1.008193     31.210724
+     17   1      4   1   0    24  0.430170     107.288      343.2      370.2      1.593  0.380031  0.091962  0.271309  1.008193     31.210724
+     18   1      4   1   1    24  0.414324     111.931      171.4      181.5      0.552  0.360935  0.097402  0.296206  0.979787     31.220264
+     19   1      3   3   0    12  0.414324     111.931    11477.2    12156.4     36.973  0.360935  0.097402  0.296206  0.979787     15.610133
+     20   1      3   3   1    24  0.402525     116.730     1146.3     1300.5     13.354  0.345190  0.103936  0.322822  0.953655     31.561459
+     21   1      4   2   0    24  0.399116     121.742     2699.8     2596.8     17.426  0.336924  0.111992  0.348191  0.929508     32.307198
+     22   1      4   2   1    48  0.412112     127.042     9344.0     9233.0     31.531  0.343868  0.122267  0.366179  0.907107     67.183456
+     23   1      3   3   2    24  0.455472     132.743     4948.2     5073.2     26.989  0.379509  0.136013  0.368330  0.886251     35.669777
+     24   1      4   2   2    24  0.754323     146.234     1629.4     1733.9     16.326  0.651048  0.187713  0.312098  0.848521     45.125885
+     25   1      4   3   0    24  1.222059     155.179     9412.4     9354.2     28.927  1.083964  0.253655  0.263973  0.831377     58.539139
+     26   1      5   0   0     6  1.222059     155.179      170.8      169.7      0.525  1.083964  0.253655  0.263973  0.831377     14.634785
+
+     -----------------------------------------------------
+     BRAGG R-Factors and weight fractions for Pattern #  1
+     -----------------------------------------------------
+
+ => Phase:  1     nuclear
+ => Bragg R-factor:   4.22       Vol:   71.830( 0.000)  Fract(%):  100.00( 0.00)
+ => Rf-factor=  2.28             ATZ:         203.711   Brindley:  1.0000
+
+     -----------------------------------------------------------------
+      SYMBOLIC NAMES AND FINAL VALUES AND SIGMA OF REFINED PARAMETERS:
+     -----------------------------------------------------------------
+
+
+ ------------------------------------------------------------------
+ => Number of bytes for floating point variables: 4
+ => Dimensions of dynamic allocated arrays in this run of FullProf:
+ ------------------------------------------------------------------
+
+ => Total approximate array memory (dynamic + static): 132451053 bytes
+
+    MaxPOINT=    80000 Max.num. of points(+int. Inten.)/diffraction pattern       
+    MaxREFLT=    25000 Max.num. of reflections/diffraction pattern               
+    MaxPARAM=      500 Max.num. of refinable parameters                          
+    MaxOVERL=     9000 Max.num. of overlapping reflections                       
+
+ ----------------------------------------------------------
+ => Number of bytes for floating point arrays: 4
+ => Dimensions of fixed arrays in this release of FullProf:
+ ----------------------------------------------------------
+
+    NPATT   =       80 Max.num. of powder diffraction patterns                    
+    NATS    =      830 Max.num. of atoms (all kind) in asymmetric unit            
+    MPAR    =     1800 Max.num. of non atomic parameters/phase                    
+    IEXCL   =       30 Max.num. of excluded regions                               
+    IBACP   =      377 Max.num. of background points for interpolation            
+    NPHT    =       16 Max.num. of phases                                         
+    NMAGM   =        8 Max.num. of rotation-matrices sets for magnetic structure  
+    NBASIS  =       12 Max.num. of basis functions associated to a single atom    
+    NIREPS  =        9 Max.num. of irreducible representations to be combined     
+    N_EQ    =      384 Max.num. of user-supplied symmetry operators/propagation vectors
+    NGL     =      400 Max.num. of global parameters/diffraction pattern          
+    N_LINC  =       50 Max.num. of global linear restraints                        
+    NAT_P   =       80 Max.num. of atomic parameters per atom                     
+    NCONST  =     3500 Max.num. of slack constraints per phase                    
+    N_SPE   =       30 Max.num. of different chemical species                     
+    N_FORM  =       60 Max.num. of scattering factor values in a table            
+    NPR     =      150 Max.num. of points defining a numerical profile            
+    INPR    =       25 Max.num. of different numerical peak shapes                
+    NPRC    =      150 Max.num. of terms in the table for correcting intensities  
+    NSOL    =       10 Max.num. of solutions to be stored in Montecarlo searchs   
+
+ 
+              CPU Time:     0.227 seconds
+                            0.004 minutes
+
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:01.084                              
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.pcr b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.pcr
new file mode 100644
index 000000000..f9f180064
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.pcr
@@ -0,0 +1,59 @@
+COMM LaB6 Ge(331)
+! Current global Chi2 (Bragg contrib.) =      14.93    
+! Files => DAT-file: ECH0030684_LaB6_1p622A_noAbs_noSLDL.dat,  PCR-file: ECH0030684_LaB6_1p622A_noAbs_noSLDL
+!Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut
+   1   7   1   0   2   1   0   1   0   0   1   0   0   0   0   0   0   0   1
+!
+!Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana
+   2   2   1   0   1   0   4   0   0   2  10  -1   0   0   0   0   1
+!
+! Lambda1  Lambda2    Ratio    Bkpos    Wdt    Cthm     muR   AsyLim   Rpolarz  2nd-muR -> Patt# 1
+ 1.623899 1.623899  0.00000   80.000  12.000  0.0000  0.0000  180.00    0.0000  0.0000
+!
+!NCY  Eps  R_at  R_an  R_pr  R_gl     Thmin       Step       Thmax    PSD    Sent0
+200  0.10  0.04  0.04  0.04  0.04      4.1642   0.049998   163.7564   0.000   0.000
+!
+! Excluded regions (LowT  HighT) for Pattern#  1
+        0.00       10.00
+      164.00      180.00
+! 
+! Additional scattering factors for Pattern#  1
+B11     0.66500    0.00000   0
+!
+       0    !Number of refined parameters
+!
+!  Zero    Code    SyCos    Code   SySin    Code  Lambda     Code MORE ->Patt# 1
+ -0.45778    0.0  0.01153    0.0  0.24334    0.0 1.623899    0.00   0
+!   Background coefficients/codes  for Pattern#  1  (Polynomial of 6th degree)
+     777.346      52.434     365.757      14.659    -415.682       0.000
+        0.00        0.00        0.00        0.00        0.00        0.00
+!-------------------------------------------------------------------------------
+!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   4.2230
+!-------------------------------------------------------------------------------
+nuclear
+!
+!Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth       ATZ    Nvk Npr More
+   2   0   0 0.0 0.0 1.0   0   0   0   0   0        203.711   0   7   0
+!
+!
+P m -3 m                 <--Space group symbol
+!Atom   Typ       X        Y        Z     Biso       Occ     In Fin N_t Spc /Codes
+La     La      0.00000  0.00000  0.00000  0.25812   0.02083   0   0   0    0  
+                  0.00     0.00     0.00     0.00      0.00
+B      B11     0.19972  0.50000  0.50000  0.11925   0.12500   0   0   0    0  
+                  0.00     0.00     0.00     0.00      0.00
+!-------> Profile Parameters for Pattern #   1  ----> Phase #   1
+!  Scale          Shape1      Bov      Str1      Str2      Str3   Strain-Model
+  42.98374       0.00000   0.00000   0.00000   0.00000   0.00000       0
+       0.00000     0.000     0.000     0.000     0.000     0.000
+!       U            V            W             X            Y         GauSiz      LorSiz    Size-Model
+     0.143431    -0.523140     0.590412     0.000000     0.054515     0.000000     0.000000       0
+         0.00         0.00         0.00         0.00         0.00         0.00         0.00
+!     a          b         c        alpha      beta       gamma      # Cell Info
+   4.156885   4.156885   4.156885  90.000000  90.000000  90.000000   
+    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
+!  Pref1    Pref2      Asy1     Asy2     Asy3     Asy4      S_L      D_L
+  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000  0.00000
+     0.00     0.00     0.00     0.00     0.00     0.00     0.00     0.00
+!  2Th1/TOF1    2Th2/TOF2  Pattern to plot
+      10.000     163.756       1
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.prf b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.prf
new file mode 100644
index 000000000..41bfce9b4
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.prf
@@ -0,0 +1,3266 @@
+IGOR
+WAVES     TwoTheta,       Iobs,   Icalc,  Diff
+BEGIN
+       4.164      249.28      708.17     -458.89
+       4.214      242.77      708.68     -465.91
+       4.264      261.99      709.18     -447.19
+       4.314      374.47      709.69     -335.22
+       4.364      435.31      710.19     -274.88
+       4.414      647.92      710.69      -62.77
+       4.464      806.68      711.19       95.49
+       4.514      868.33      711.69      156.64
+       4.564     1082.78      712.19      370.59
+       4.614     1245.94      712.69      533.25
+       4.664     1161.56      713.18      448.38
+       4.714     1270.88      713.68      557.20
+       4.764     1353.10      714.17      638.93
+       4.814     1394.96      714.66      680.30
+       4.864     1344.30      715.15      629.15
+       4.914     1395.56      715.63      679.93
+       4.964     1418.44      716.12      702.32
+       5.014     1512.19      716.61      795.58
+       5.064     1533.20      717.09      816.11
+       5.117     1511.09      717.60      793.49
+       5.167     1557.83      718.08      839.75
+       5.217     1570.98      718.56      852.42
+       5.267     1524.03      719.04      804.99
+       5.317     1557.07      719.51      837.56
+       5.367     1518.49      719.99      798.50
+       5.417     1492.80      720.46      772.34
+       5.467     1467.48      720.93      746.55
+       5.517     1642.49      721.40      921.09
+       5.567     1467.95      721.87      746.08
+       5.617     1480.74      722.34      758.40
+       5.667     1504.68      722.81      781.87
+       5.717     1493.81      723.27      770.54
+       5.767     1526.23      723.73      802.50
+       5.817     1448.03      724.19      723.84
+       5.867     1480.69      724.65      756.04
+       5.917     1399.52      725.11      674.41
+       5.966     1416.73      725.57      691.16
+       6.016     1395.40      726.03      669.37
+       6.066     1287.19      726.48      560.71
+       6.116     1413.82      726.93      686.89
+       6.166     1294.07      727.38      566.69
+       6.216     1329.71      727.83      601.88
+       6.266     1295.20      728.28      566.92
+       6.316     1221.64      728.73      492.91
+       6.362     1239.25      729.14      510.11
+       6.412     1234.43      729.58      504.85
+       6.462     1176.34      730.03      446.31
+       6.512     1230.70      730.47      500.23
+       6.562     1157.69      730.91      426.78
+       6.612     1123.19      731.35      391.84
+       6.662     1173.25      731.79      441.46
+       6.712     1163.54      732.22      431.32
+       6.762     1160.56      732.66      427.90
+       6.812     1090.30      733.09      357.21
+       6.862     1089.23      733.52      355.71
+       6.912     1115.90      733.96      381.94
+       6.962     1035.09      734.39      300.70
+       7.012     1073.90      734.81      339.09
+       7.062     1088.65      735.24      353.41
+       7.112     1060.65      735.67      324.98
+       7.162     1001.18      736.09      265.09
+       7.212     1051.08      736.51      314.57
+       7.262     1038.77      736.93      301.84
+       7.312      987.64      737.35      250.29
+       7.361     1032.94      737.77      295.17
+       7.411     1014.73      738.19      276.54
+       7.461      967.70      738.60      229.10
+       7.511     1053.04      739.02      314.02
+       7.561      987.22      739.43      247.79
+       7.618     1027.23      739.90      287.33
+       7.668      957.69      740.31      217.38
+       7.718      950.30      740.72      209.58
+       7.768      965.57      741.13      224.44
+       7.818      908.56      741.53      167.03
+       7.868      990.94      741.94      249.00
+       7.918      948.75      742.34      206.41
+       7.968     1014.25      742.75      271.50
+       8.018      909.56      743.15      166.41
+       8.068      963.50      743.55      219.95
+       8.118      956.97      743.94      213.03
+       8.168      941.60      744.34      197.26
+       8.218      944.65      744.74      199.91
+       8.268      958.38      745.13      213.25
+       8.318      915.62      745.53      170.09
+       8.368      926.86      745.92      180.94
+       8.418      898.35      746.31      152.04
+       8.468      883.90      746.70      137.20
+       8.518      907.95      747.09      160.86
+       8.568      840.81      747.47       93.34
+       8.618      854.40      747.86      106.54
+       8.667      909.80      748.24      161.56
+       8.717      933.86      748.62      185.24
+       8.767      883.97      749.01      134.96
+       8.817      872.52      749.39      123.13
+       8.870      889.41      749.79      139.62
+       8.920      872.92      750.16      122.76
+       8.970      910.67      750.54      160.13
+       9.020      869.99      750.92      119.07
+       9.070      859.96      751.29      108.67
+       9.120      858.03      751.66      106.37
+       9.170      834.26      752.04       82.22
+       9.220      856.79      752.41      104.38
+       9.271      837.15      752.78       84.37
+       9.320      822.58      753.14       69.44
+       9.370      863.24      753.51      109.73
+       9.420      827.61      753.87       73.74
+       9.470      826.65      754.24       72.41
+       9.520      842.37      754.60       87.77
+       9.570      902.88      754.96      147.92
+       9.620      827.23      755.32       71.91
+       9.670      846.33      755.68       90.65
+       9.720      825.69      756.04       69.65
+       9.770      765.93      756.39        9.54
+       9.820      845.02      756.75       88.27
+       9.870      850.36      757.10       93.26
+       9.920      841.36      757.45       83.91
+       9.970      832.23      757.80       74.43
+      10.020      780.68      758.15       22.53
+      10.070      839.40      758.50       80.90
+      10.125      805.00      758.88       46.12
+      10.175      736.57      759.23      -22.66
+      10.225      815.42      759.58       55.84
+      10.275      793.91      759.92       33.99
+      10.325      817.66      760.26       57.40
+      10.375      770.70      760.60       10.10
+      10.425      804.50      760.95       43.55
+      10.475      727.04      761.28      -34.24
+      10.525      751.78      761.62       -9.84
+      10.575      764.02      761.96        2.06
+      10.625      802.46      762.29       40.17
+      10.675      752.71      762.63       -9.92
+      10.725      793.85      762.96       30.89
+      10.775      776.92      763.29       13.63
+      10.825      791.07      763.62       27.45
+      10.875      788.79      763.95       24.84
+      10.925      784.57      764.28       20.29
+      10.975      775.27      764.60       10.67
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+     148.596     1006.29      907.55       98.74
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+     162.707      935.82      872.66       63.16
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+     162.957      907.31      878.24       29.07
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+     163.107      983.70      882.57      101.13
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+     163.207      928.88      885.98       42.90
+     163.257      960.16      887.87       72.29
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+     163.357      961.79      892.06       69.73
+     163.407      954.64      894.38       60.26
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+     163.507      981.89      899.54       82.35
+     163.557      916.63      902.41       14.22
+     163.606      919.80      905.48       14.32
+     163.656      972.91      908.79       64.12
+     163.706     1058.06      912.34      145.72
+     163.756     1061.08      750.55      310.53
+END
+WAVES     Phase1, tik1
+BEGIN
+      22.070      -1396
+      31.613      -1396
+      39.091      -1396
+      45.532      -1396
+      51.337      -1396
+      56.711      -1396
+      66.615      -1396
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+      71.287      -1396
+      75.836      -1396
+      80.298      -1396
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+     145.776      -1396
+     154.721      -1396
+     154.721      -1396
+     169.255      -1396
+     169.255      -1396
+END
+WAVES Excrg1, excl1
+BEGIN
+        4.16      -1396
+       10.00      -1396
+END
+WAVES Excrg2, excl2
+BEGIN
+      164.00      -1396
+      163.76      -1396
+END
+X Silent 1
+X DefaultFont Times
+X Display Iobs, Icalc, Diff vs TwoTheta
+X Modify mode(Iobs)=2, rgb(Iobs)=(0,0,0), rgb(Diff)=(3800,44400,4000)
+X SetAxis bottom     4.16,   163.76
+X Modify lsize(Iobs)=2
+X Modify offset(Diff)={0, -10373}
+X Modify wbRGB=(48483,64909,65535), gbRGB=(64612,65535,49415)
+X Modify mirror(left)=2, mirror(bottom)=2
+X Modify gfSize=12
+X Append excl1 vs Excrg1
+X Modify mode(excl1)=7, hbFill(excl1)=4
+X Modify rgb(excl1)=(6421,62320,64794)
+X Append excl2 vs Excrg2
+X Modify mode(excl2)=7, hbFill(excl2)=4
+X Modify rgb(excl2)=(6421,62320,64794)
+X Append tik1 vs Phase1
+X Modify mode(tik1)=1
+X TextBox /F=2/S=3/A=RT "Files: ECH0030684_LaB6_1p622A_noAbs_noSLDL\rDate of fit: \Z09 09/06/2026/ 12:42:01.0\Z12\rnuclear\rChi2 =   14.60"
+X Label left "\Z14Intensity"
+X Label bottom "\Z142-Theta (in degrees)"
+X TileWindows/O=1/C
+X ShowInfo
+X | Title of data set:  LaB6 Ge(331)
+X | Date of run: 09/06/2026 / 12:42:01.0
+X Beep
+X Beep
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.sum b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.sum
new file mode 100644
index 000000000..a67d19a23
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.sum
@@ -0,0 +1,142 @@
+
+
+        **********************************************************
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
+        **********************************************************
+                       M U L T I -- P A T T E R N                 
+            Rietveld, Profile Matching & Integrated Intensity     
+                 Refinement of X-ray and/or Neutron Data
+
+
+    Date: 09/06/2026  Time: 12:42:00.856                              
+
+ => PCR file code: ECH0030684_LaB6_1p622A_noAbs_noSLDL
+ => DAT file code: ECH0030684_LaB6_1p62 -> Relative contribution: 1.0000                                                            
+ => Title: LaB6 Ge(331)
+
+ ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
+
+ => Global Refinement of neutron powder data                                                                                        
+ => The    7th default profile function was selected
+
+ => X-Y type of data: 2theta/TOF/E(Kev) Intens sigma for pattern:  1
+ => Analysis of refinement at the end
+ => Wavelengths:  1.62390 1.62390
+ => Cos(Monochromator angle)=   0.0000
+ => Absorption correction (AC), muR-eff =   0.0000  0.0000
+ => Base of peaks: 2.0*HW*   12.00
+ ==> Angular range, step and number of points:
+     2Thmin:       4.164220  2Thmax:     163.756378  Step:       0.049998  No. of points:   3194
+ =>-------> Pattern#  1
+ => Crystal Structure Refinement for phase: 1
+ => The density (volumic mass) of phase 1 is:    4.711 g/cm3
+ => Scor: 3.3186
+
+ ==> RESULTS OF REFINEMENT:
+
+
+ => No. of fitted parameters:    0
+
+
+------------------------------------------------------------------------------
+ => Phase No.  1 nuclear                                 P m -3 m            
+------------------------------------------------------------------------------
+
+ =>  No. of reflections for pattern#:   1:    28  
+
+
+ ==> ATOM PARAMETERS:
+
+  Name      x     sx       y     sy       z      sz      B   sB   occ. socc.  Mult
+ La      0.00000(   0)  0.00000(   0)  0.00000(   0)  0.258(  0)  0.021(  0)    1
+ B       0.19972(   0)  0.50000(   0)  0.50000(   0)  0.119(  0)  0.125(  0)    6
+
+ ==> PROFILE PARAMETERS FOR PATTERN#  1
+
+ => Cell parameters      :
+                              4.15689   0.00000
+                              4.15689   0.00000
+                              4.15689   0.00000
+                             90.00000   0.00000
+                             90.00000   0.00000
+                             90.00000   0.00000
+ 
+ => overall scale factor :   42.98374      0.000000    
+ => Eta(p-v) or m(p-vii) :    0.00000   0.00000
+ => Overall tem. factor  :    0.00000   0.00000
+ => Halfwidth parameters :    0.14343   0.00000
+                             -0.52314   0.00000
+                              0.59041   0.00000
+ => Preferred orientation:    0.00000   0.00000
+                              0.00000   0.00000
+ => Asymmetry parameters :    0.00000   0.00000
+                              0.00000   0.00000
+                              0.00000   0.00000
+                              0.00000   0.00000
+ => X and y parameters   :    0.00000   0.00000
+                              0.05452   0.00000
+ => Strain parameters    :    0.00000   0.00000
+                              0.00000   0.00000
+                              0.00000   0.00000
+ => Size parameters (G,L):    0.00000   0.00000
+                              0.00000   0.00000
+
+ => Add. shape parameters: 
+                              0.00000       0.00000    
+                              0.00000       0.00000    
+
+
+
+ ==> GLOBAL PARAMETERS FOR PATTERN#  1
+
+
+ => Zero-point:    -0.4578    0.0000
+ => Background Polynomial Parameters ==>
+                               777.35      0.0000    
+                               52.434      0.0000    
+                               365.76      0.0000    
+                               14.659      0.0000    
+                              -415.68      0.0000    
+                               0.0000      0.0000    
+ 
+ => Cos(2theta)-shift parameter :   0.0115  0.0000
+ => Sin(2theta)-shift parameter :   0.2433  0.0000
+
+ ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
+
+  => Cycle:  1 => MaxCycle:200
+ => N-P+C:  3076
+ =>  R-factors (not corrected for background) for Pattern:  1
+ => Rp:  7.78     Rwp:  10.5     Rexp:    2.76 Chi2:  14.6      L.S. refinement
+ => Conventional Rietveld R-factors for Pattern:  1
+ => Rp:  15.5     Rwp:  17.9     Rexp:    4.69 Chi2:  14.6    
+ => Deviance:  0.646E+05     Dev*  :   21.01    
+ => DW-Stat.:    0.2426     DW-exp:     1.8880
+ => N-sigma of the GoF:      533.539
+
+ ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
+
+ => N-P+C:  3009
+ =>  R-factors (not corrected for background) for Pattern:  1
+ => Rp:  7.83     Rwp:  10.6     Rexp:    2.74 Chi2:  14.9      L.S. refinement
+ => Conventional Rietveld R-factors for Pattern:  1
+ => Rp:  15.4     Rwp:  17.9     Rexp:    4.64 Chi2:  14.9    
+ => Deviance:  0.646E+05     Dev*  :   21.45    
+ => DW-Stat.:    0.2429     DW-exp:     1.8867
+ => N-sigma of the GoF:      539.393
+
+ => Global user-weigthed Chi2 (Bragg contrib.):   14.9    
+
+     -----------------------------------------------------
+     BRAGG R-Factors and weight fractions for Pattern #  1
+     -----------------------------------------------------
+
+ => Phase:  1     nuclear
+ => Bragg R-factor:   4.22       Vol:   71.830( 0.000)  Fract(%):  100.00( 0.00)
+ => Rf-factor=  2.28             ATZ:         203.711   Brindley:  1.0000
+
+ 
+              CPU Time:     0.227 seconds
+                            0.004 minutes
+
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:01.084                              
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.vesta b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.vesta
new file mode 100644
index 000000000..e39726741
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL.vesta
@@ -0,0 +1,24 @@
+#VESTA_FORMAT_VERSION 3.1.9
+ 
+ 
+CRYSTAL
+TITLE
+   LaB6 Ge(331)
+ 
+IMPORT_STRUCTURE
+ECH0030684_LaB6_1p622A_noAbs_noSLDL.cif
+ 
+IMPORT_DENSITY 1
++1.000000E+000 ECH0030684_LaB6_1p622A_noAbs_noSLDL.pgrid
+ 
+BOUND
+    -0.1      1.1      -0.1      1.1      -0.1     1.1 
+  0   0   0   0  0
+SBOND
+  0 0 0 0
+ 
+STYLE
+MODEL   2  1  0
+SURFS   0  1  1
+SECTS  96  0
+POLYS  0
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL1.fst b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL1.fst
new file mode 100644
index 000000000..42066cd1e
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL1.fst
@@ -0,0 +1,7 @@
+!   FILE for FullProf Studio: generated automatically by FullProf 
+!Title: nuclear                                                                                                                                                             
+SPACEG P m -3 m            
+CELL     4.156885    4.156885    4.156885  90.0000  90.0000  90.0000   DISPLAY MULTIPLE
+BOX   -0.15  1.15   -0.15  1.15    -0.15  1.15 
+ATOM La      La       0.00000   0.00000   0.00000  
+ATOM B       B        0.19972   0.50000   0.50000  
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL1.sub b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL1.sub
new file mode 100644
index 000000000..5fba7b9bb
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL1.sub
@@ -0,0 +1,3195 @@
+! Phase No.:   1 nuclear                       
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+    145.340164      156.0951
+    145.390198      194.0859
+    145.440292      243.5776
+    145.490219      306.5507
+    145.540146      385.1458
+    145.590179      481.1135
+    145.640198      594.9531
+    145.690216      726.3435
+    145.740036      872.7872
+    145.790039     1031.8473
+    145.840088     1197.9724
+    145.889938     1363.2131
+    145.939941     1519.9288
+    145.989868     1657.3999
+    146.039764     1765.1173
+    146.089676     1833.3583
+    146.139587     1855.0938
+    146.189606     1827.8036
+    146.239548     1754.5802
+    146.289459     1642.9408
+    146.339203     1503.3929
+    146.389267     1345.1498
+    146.439301     1179.0607
+    146.489166     1014.2303
+    146.538788      857.7268
+    146.588867      712.3506
+    146.638901      583.0806
+    146.688995      471.3624
+    146.738922      377.8517
+    146.788849      301.3499
+    146.838898      240.1442
+    146.888916      192.3706
+    146.938934      155.7928
+    146.988754      128.3076
+    147.038742      107.7475
+    147.088806       92.5076
+    147.138657       81.2643
+    147.188644       72.8500
+    147.238586       66.4867
+    147.288483       61.5676
+    147.338379       57.6657
+    147.388321       54.4821
+    147.438324       51.8186
+    147.488266       49.5473
+    147.538177       47.5737
+    147.587936       45.8412
+    147.637985       44.2918
+    147.688019       42.9066
+    147.737900       41.6664
+    147.779755       40.7207
+    147.829849       39.6912
+    147.879883       38.7622
+    147.929977       37.9220
+    147.979904       37.1649
+    148.029846       36.4806
+    148.079880       35.8613
+    148.129883       35.3032
+    148.179916       34.8004
+    148.229736       34.3504
+    148.279739       33.9457
+    148.329788       33.5839
+    148.379654       33.2635
+    148.429642       32.9794
+    148.479553       32.7303
+    148.529480       32.5135
+    148.579376       32.3270
+    148.629303       32.1688
+    148.679321       32.0370
+    148.729263       31.9307
+    148.779190       31.8484
+    148.828934       31.7889
+    148.878983       31.7506
+    148.929031       31.7331
+    148.978897       31.7355
+    149.027420       31.7559
+    149.077499       31.7952
+    149.127533       31.8522
+    149.177628       31.9265
+    149.227554       32.0173
+    149.277496       32.1243
+    149.327530       32.2475
+    149.377548       32.3863
+    149.427551       32.5404
+    149.477402       32.7091
+    149.527390       32.8933
+    149.577454       33.0926
+    149.627304       33.3057
+    149.677307       33.5342
+    149.727234       33.7770
+    149.777145       34.0343
+    149.827042       34.3064
+    149.876968       34.5934
+    149.926987       34.8959
+    149.976929       35.2131
+    150.026840       35.5454
+    150.076599       35.8920
+    150.126648       36.2566
+    150.176697       36.6372
+    150.226578       37.0329
+    150.263138       37.3338
+    150.313217       37.7604
+    150.363266       38.2046
+    150.413361       38.6670
+    150.463287       39.1463
+    150.513229       39.6450
+    150.563278       40.1641
+    150.613281       40.7033
+    150.663315       41.2635
+    150.713135       41.8431
+    150.763138       42.4469
+    150.813187       43.0749
+    150.863052       43.7243
+    150.913055       44.4007
+    150.962967       45.1020
+    151.012894       45.8304
+    151.062775       46.5866
+    151.112717       47.3730
+    151.162735       48.1916
+    151.212677       49.0410
+    151.262604       49.9238
+    151.312332       50.8384
+    151.362411       51.7962
+    151.412445       52.7924
+    151.462326       53.8259
+    151.516922       55.0064
+    151.567017       56.1369
+    151.617081       57.3145
+    151.667145       58.5429
+    151.717087       59.8210
+    151.767014       61.1551
+    151.817062       62.5512
+    151.867096       64.0097
+    151.917099       65.5342
+    151.966949       67.1235
+    152.016922       68.7916
+    152.066986       70.5417
+    152.116852       72.3688
+    152.166840       74.2905
+    152.216782       76.3052
+    152.266693       78.4212
+    152.316589       80.6446
+    152.366531       82.9869
+    152.416534       85.4587
+    152.466476       88.0626
+    152.516418       90.8134
+    152.566162       93.7136
+    152.616226       96.8077
+    152.666260      100.0953
+    152.716141      103.5913
+    152.773865      107.9441
+    152.823929      112.0300
+    152.873978      116.4501
+    152.924072      121.2725
+    152.973999      126.5550
+    153.023941      132.4126
+    153.073990      138.9904
+    153.123993      146.4406
+    153.174026      154.9849
+    153.223862      164.8534
+    153.273849      176.4614
+    153.323914      190.2276
+    153.373779      206.6025
+    153.423767      226.3412
+    153.473709      250.1564
+    153.523621      278.9824
+    153.573517      313.9247
+    153.623444      356.2597
+    153.673477      407.5339
+    153.723434      469.1770
+    153.773331      542.9460
+    153.823090      630.4804
+    153.873154      734.6196
+    153.923187      856.8417
+    153.973068      998.6280
+    154.020950     1155.1831
+    154.071030     1341.9054
+    154.121078     1553.3251
+    154.171158     1790.4059
+    154.221100     2052.6001
+    154.271042     2340.2063
+    154.321075     2652.4568
+    154.371109     2986.8774
+    154.421127     3340.3755
+    154.470947     3707.7307
+    154.520950     4086.6138
+    154.571014     4470.4014
+    154.620880     4850.3208
+    154.670868     5221.3184
+    154.720810     5573.5952
+    154.770721     5898.6045
+    154.820633     6187.5176
+    154.870560     6431.5742
+    154.920578     6622.5786
+    154.970535     6752.9932
+    155.020447     6817.9902
+    155.070190     6815.2153
+    155.120270     6744.4224
+    155.170319     6608.3828
+    155.220200     6412.3721
+    155.272751     6149.9600
+    155.322845     5854.5635
+    155.372894     5524.4380
+    155.422974     5168.2173
+    155.472916     4795.8467
+    155.522858     4414.8184
+    155.572906     4031.6892
+    155.622925     3654.1724
+    155.672943     3287.7788
+    155.722778     2938.4287
+    155.772766     2607.7539
+    155.822845     2299.0315
+    155.872696     2016.0521
+    155.922714     1757.5836
+    155.972626     1525.3242
+    156.022552     1318.4220
+    156.072464     1136.0286
+    156.122391      976.7027
+    156.172409      838.6262
+    156.222366      720.3812
+    156.272278      619.8759
+    156.322037      535.2996
+    156.372101      463.9547
+    156.422150      404.5456
+    156.472031      355.4552
+    156.520905      315.6392
+    156.570969      281.9569
+    156.621033      254.2487
+    156.671127      231.4164
+    156.721054      212.6219
+    156.770996      197.0184
+    156.821045      183.9591
+    156.871063      172.9680
+    156.921082      163.6272
+    156.970932      155.6259
+    157.020935      148.6499
+    157.070999      142.5121
+    157.120865      137.0801
+    157.170853      132.1927
+    157.220779      127.7711
+    157.270706      123.7367
+    157.320602      120.0326
+    157.370544      116.6078
+    157.420563      113.4257
+    157.470520      110.4668
+    157.520447      107.7058
+    157.570190      105.1314
+    157.620270      102.7020
+    157.670288      100.4242
+    157.720184       98.2901
+    157.758759       96.7278
+    157.808838       94.8065
+    157.858902       92.9990
+    157.908981       91.2969
+    157.958923       89.6983
+    158.008881       88.1921
+    158.058914       86.7712
+    158.108948       85.4329
+    158.158966       84.1728
+    158.208801       82.9905
+    158.258804       81.8736
+    158.308853       80.8212
+    158.358719       79.8352
+    158.408722       78.9055
+    158.458664       78.0332
+    158.508575       77.2146
+    158.558487       76.4468
+    158.608429       75.7268
+    158.658447       75.0521
+    158.708389       74.4224
+    158.758316       73.8351
+    158.808075       73.2899
+    158.858154       72.7799
+    158.908188       72.3076
+    158.958084       71.8721
+    159.012146       71.4388
+    159.062225       71.0716
+    159.112274       70.7364
+    159.162369       70.4316
+    159.212311       70.1571
+    159.262253       69.9110
+    159.312302       69.6919
+    159.362320       69.4997
+    159.412354       69.3333
+    159.462189       69.1924
+    159.512192       69.0755
+    159.562256       68.9821
+    159.612122       68.9121
+    159.662125       68.8644
+    159.712051       68.8387
+    159.761978       68.8343
+    159.811890       68.8509
+    159.861816       68.8879
+    159.911850       68.9452
+    159.961792       69.0220
+    160.011719       69.1182
+    160.061478       69.2330
+    160.111542       69.3673
+    160.161591       69.5201
+    160.211472       69.6906
+    160.270203       69.9143
+    160.320282       70.1246
+    160.370331       70.3523
+    160.420425       70.5979
+    160.470367       70.8600
+    160.520309       71.1394
+    160.570358       71.4364
+    160.620377       71.7504
+    160.670410       72.0815
+    160.720245       72.4282
+    160.770248       72.7930
+    160.820328       73.1752
+    160.870178       73.5727
+    160.920197       73.9883
+    160.970139       74.4204
+    161.020050       74.8693
+    161.069962       75.3352
+    161.119888       75.8186
+    161.169922       76.3204
+    161.219879       76.8390
+    161.269791       77.3749
+    161.319550       77.9268
+    161.369614       78.5002
+    161.419662       79.0919
+    161.469543       79.7001
+    161.525574       80.4058
+    161.575653       81.0570
+    161.625717       81.7278
+    161.675812       82.4190
+    161.725754       83.1283
+    161.775711       83.8590
+    161.825760       84.6125
+    161.875778       85.3875
+    161.925812       86.1854
+    161.975647       87.0033
+    162.025650       87.8479
+    162.075714       88.7184
+    162.125580       89.6110
+    162.175583       90.5326
+    162.225525       91.4805
+    162.275436       92.4566
+    162.325348       93.4627
+    162.375290       94.5007
+    162.425323       95.5734
+    162.475266       96.6784
+    162.525192       97.8192
+    162.574936       98.9936
+    162.625031      100.2161
+    162.675079      101.4803
+    162.724960      102.7852
+    162.784927      104.4168
+    162.835022      105.8362
+    162.885071      107.3090
+    162.935165      108.8416
+    162.985107      110.4316
+    163.035065      112.0878
+    163.085114      113.8187
+    163.135132      115.6248
+    163.185165      117.5132
+    163.235001      119.4813
+    163.285004      121.5502
+    163.335083      123.7230
+    163.384949      125.9959
+    163.434952      128.3922
+    163.484894      130.9116
+    163.534805      133.5650
+    163.584717      136.3644
+    163.634659      139.3222
+    163.684692      142.4565
+    163.734634      145.7682
+    163.784561      149.2761
+    163.834320      152.9833
+    163.884399      156.9426
+    163.934448      161.1480
+    163.984329        0.0000
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL_prof.cif b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL_prof.cif
new file mode 100644
index 000000000..4d08ee956
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_noSLDL_prof.cif
@@ -0,0 +1,3277 @@
+ 
+#==============================================
+# Powder diffraction pattern number   1
+#==============================================
+#      Date: 09/06/2026  Time: 12:42:01.011
+ 
+data_ECH0030684_LaB6_1p622A_noAbs_noSLDL
+_audit_creation_date  09/06/2026  
+_audit_creation_method  "FullProf Suite"
+ 
+_pd_block_id    ECH0030684_LaB6_1p622A_noAbs_noSLDL
+#==============================================================================             
+# 9. INSTRUMENT CHARACTERIZATION                                                            
+                                                                                            
+_exptl_special_details                                                                      
+; ?                                                                                         
+;                                                                                           
+                                                                                            
+# if regions of the data are excluded, the reason(s) are supplied here:                     
+_pd_proc_info_excluded_regions                                                              
+; ?                                                                                         
+;                                                                                           
+                                                                                            
+# The following item is used to identify the equipment used to record                       
+# the powder pattern when the diffractogram was measured at a laboratory                    
+# other than the authors' home institution, e.g. when neutron or synchrotron                
+# radiation is used.                                                                        
+                                                                                            
+_pd_instr_location                                                                          
+; ?                                                                                         
+;                                                                                           
+_pd_calibration_special_details           # description of the method used                  
+                                          # to calibrate the instrument                     
+; ?                                                                                         
+;                                                                                           
+                                                                                            
+_diffrn_ambient_temperature    ?                                                            
+_diffrn_source                 ?                                                            
+_diffrn_source_target          ?                                                            
+_diffrn_source_type            ?                                                            
+_diffrn_measurement_device_type?                                                            
+_diffrn_detector               ?                                                            
+_diffrn_detector_type          ?  # make or model of detector                               
+                                                                                            
+_pd_meas_scan_method           ?  # options are 'step', 'cont',                             
+                                  # 'tof', 'fixed' or                                       
+                                  # 'disp' (= dispersive)                                   
+_pd_meas_special_details                                                                    
+;  ?                                                                                        
+;                                                                                           
+                                                                                            
+# The following two items identify the program(s) used (if appropriate).                    
+_computing_data_collection        ?                                                         
+_computing_data_reduction         ?                                                         
+                                                                                            
+# Describe any processing performed on the data, prior to refinement.                       
+# For example: a manual Lp correction or a precomputed absorption correction                
+_pd_proc_info_data_reduction      ?                                                         
+                                                                                            
+# The following item is used for angular dispersive measurements only.                      
+                                                                                            
+_diffrn_radiation_monochromator   ?                                                         
+                                                                                            
+# The following items are used to define the size of the instrument.                        
+# Not all distances are appropriate for all instrument types.                               
+                                                                                            
+_pd_instr_dist_src/mono           ?                                                         
+_pd_instr_dist_mono/spec          ?                                                         
+_pd_instr_dist_src/spec           ?                                                         
+_pd_instr_dist_spec/anal          ?                                                         
+_pd_instr_dist_anal/detc          ?                                                         
+_pd_instr_dist_spec/detc          ?                                                         
+                                                                                            
+# 10. Specimen size and mounting information                                                
+                                                                                            
+# The next three fields give the specimen dimensions in mm.  The equatorial                 
+# plane contains the incident and diffracted beam.                                          
+                                                                                            
+_pd_spec_size_axial               ?       # perpendicular to                                
+                                          # equatorial plane                                
+                                                                                            
+_pd_spec_size_equat               ?       # parallel to                                     
+                                          # scattering vector                               
+                                          # in transmission                                 
+                                                                                            
+_pd_spec_size_thick               ?       # parallel to                                     
+                                          # scattering vector                               
+                                          # in reflection                                   
+                                                                                            
+_pd_spec_mounting                         # This field should be                            
+                                          # used to give details of the                     
+                                          # container.                                      
+; ?                                                                                         
+;                                                                                           
+                                                                                            
+_pd_spec_mount_mode               ?       # options are 'reflection'                        
+                                          # or 'transmission'                               
+                                                                                            
+_pd_spec_shape                    ?       # options are 'cylinder'                          
+                                          # 'flat_sheet' or 'irregular'                     
+                                                                                            
+     
+_diffrn_radiation_probe                neutrons 
+_diffrn_radiation_wavelength            1.6239
+     
+#  The following profile R-factors are NOT CORRECTED for background
+#  The sum is extended to all non-excluded points.
+#  These are the current CIF standard
+ 
+_pd_proc_ls_prof_R_factor                7.7826
+_pd_proc_ls_prof_wR_factor              10.5352
+_pd_proc_ls_prof_wR_expected             2.7567
+ 
+#  The following profile R-factors are CORRECTED for background
+#  The sum is extended to all non-excluded points.
+#  These items are not in the current CIF standard, but are defined above
+ 
+_pd_proc_ls_prof_cR_factor               15.4940
+_pd_proc_ls_prof_cwR_factor              17.9284
+_pd_proc_ls_prof_cwR_expected             4.6913
+ 
+#  The following items are not in the CIF standard, but are defined above
+ 
+_pd_proc_ls_prof_chi2                14.6047
+_pd_proc_ls_prof_echi2               14.9062
+  
+_pd_proc_ls_background_function   
+;   FullProf Background function number  
+;                                                                              
+                                                                               
+_exptl_absorpt_process_details                                                 
+;   FullProf Absorption/surface roughness correction    
+ No correction is applied ?.                                                   
+;                                                                              
+                                                                               
+_pd_proc_ls_profile_function                                                   
+;                                                                              
+;                                                                              
+_pd_proc_ls_peak_cutoff 0.00500                                                
+_pd_calc_method  "   Rietveld Refinement" 
+                                                                               
+#---- raw/calc data loop -----   
+_pd_meas_2theta_range_min       4.164220
+_pd_meas_2theta_range_max     163.756378
+_pd_meas_2theta_range_inc       0.049998
+_pd_proc_2theta_range_min       4.622000
+_pd_proc_2theta_range_max     164.214157
+_pd_proc_2theta_range_inc       0.049998
+ 
+loop_
+_pd_proc_point_id
+_pd_proc_2theta_corrected   
+_pd_proc_intensity_total
+_pd_calc_intensity_total
+_pd_proc_intensity_bkg_calc
+ 
+   118    10.4778    781(29)           758.1533          758.1533                                                                   
+   119    10.5277    839(30)           758.5013          758.5013                                                                   
+   120    10.5828    805(32)           758.8843          758.8843                                                                   
+   121    10.6329    737(30)           759.2312          759.2312                                                                   
+   122    10.6829    815(32)           759.5768          759.5768                                                                   
+   123    10.7330    794(31)           759.9213          759.9213                                                                   
+   124    10.7830    818(32)           760.2636          760.2636                                                                   
+   125    10.8330    771(31)           760.6047          760.6047                                                                   
+   126    10.8830    804(31)           760.9453          760.9453                                                                   
+   127    10.9331    727(30)           761.2844          761.2844                                                                   
+   128    10.9831    752(30)           761.6224          761.6224                                                                   
+   129    11.0329    764(30)           761.9578          761.9578                                                                   
+   130    11.0830    802(31)           762.2932          762.2932                                                                   
+   131    11.1330    753(31)           762.6278          762.6278                                                                   
+   132    11.1829    794(31)           762.9599          762.9599                                                                   
+   133    11.2330    777(31)           763.2916          763.2916                                                                   
+   134    11.2829    791(31)           763.6218          763.6218                                                                   
+   135    11.3328    789(31)           763.9506          763.9506                                                                   
+   136    11.3827    785(31)           764.2781          764.2781                                                                   
+   137    11.4327    775(31)           764.6046          764.6046                                                                   
+   138    11.4827    754(30)           764.9306          764.9306                                                                   
+   139    11.5327    787(31)           765.2548          765.2548                                                                   
+   140    11.5827    813(32)           765.5778          765.5778                                                                   
+   141    11.6324    714(30)           765.8984          765.8984                                                                   
+   142    11.6825    731(30)           766.2198          766.2198                                                                   
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+   144    11.7825    779(31)           766.8578          766.8578                                                                   
+   145    11.8322    762(29)           767.1735          767.1735                                                                   
+   146    11.8823    760(29)           767.4904          767.4904                                                                   
+   147    11.9324    803(30)           767.8058          767.8058                                                                   
+   148    11.9825    756(29)           768.1204          768.1204                                                                   
+   149    12.0324    768(29)           768.4327          768.4327                                                                   
+   150    12.0824    790(30)           768.7440          768.7440                                                                   
+   151    12.1325    734(28)           769.0547          769.0547                                                                   
+   152    12.1825    784(29)           769.3641          769.3641                                                                   
+   153    12.2325    725(28)           769.6724          769.6724                                                                   
+   154    12.2824    779(29)           769.9784          769.9784                                                                   
+   155    12.3324    753(29)           770.2841          770.2841                                                                   
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+   158    12.4824    766(29)           771.1941          771.1941                                                                   
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+   160    12.5823    780(29)           771.7944          771.7944                                                                   
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+   164    12.7822    746(29)           772.9819          772.9819                                                                   
+   165    12.8321    788(30)           773.2759          773.2759                                                                   
+   166    12.8819    726(28)           773.5676          773.5676                                                                   
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+   168    12.9820    769(29)           774.1512          774.1512                                                                   
+   169    13.0319    786(29)           774.4403          774.4403                                                                   
+   170    13.0712    764(28)           774.6674          774.6674                                                                   
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+   172    13.1714    747(28)           775.2427          775.2427                                                                   
+   173    13.2215    786(28)           775.5288          775.5288                                                                   
+   174    13.2715    766(28)           775.8127          775.8127                                                                   
+   175    13.3214    777(28)           776.0958          776.0958                                                                   
+   176    13.3715    737(28)           776.3781          776.3781                                                                   
+   177    13.4215    728(27)           776.6594          776.6594                                                                   
+   178    13.4716    757(28)           776.9394          776.9394                                                                   
+   179    13.5214    782(28)           777.2174          777.2174                                                                   
+   180    13.5715    764(28)           777.4951          777.4951                                                                   
+   181    13.6215    733(27)           777.7722          777.7722                                                                   
+   182    13.6714    746(28)           778.0469          778.0469                                                                   
+   183    13.7214    760(28)           778.3213          778.3213                                                                   
+   184    13.7714    784(28)           778.5943          778.5943                                                                   
+   185    13.8213    741(27)           778.8661          778.8661                                                                   
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+   188    13.9712    759(28)           780.7672          779.6754                                                                   
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+   190    14.0711    701(27)           781.3268          780.2094                                                                   
+   191    14.1209    778(28)           781.6042          780.4738                                                                   
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+   193    14.2211    722(27)           782.1600          781.0025                                                                   
+   194    14.2710    779(28)           782.4357          781.2644                                                                   
+   195    14.3257    740(28)           782.7372          781.5504                                                                   
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+   197    14.4259    785(29)           783.2863          782.0704                                                                   
+   198    14.4760    756(29)           783.5598          782.3290                                                                   
+   199    14.5259    733(28)           783.8316          782.5856                                                                   
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+   203    14.7260    801(29)           784.9129          783.6031                                                                   
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+   208    14.9759    741(28)           786.2462          784.8497                                                                   
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+   210    15.0758    750(28)           786.7744          785.3408                                                                   
+   211    15.1257    760(29)           787.0372          785.5846                                                                   
+   212    15.1756    759(29)           787.2997          785.8276                                                                   
+   213    15.2257    777(29)           787.5621          786.0700                                                                   
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+   220    15.5817    724(27)           789.4108          787.7646                                                                   
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+   228    15.9821    700(26)           791.4577          789.6080                                                                   
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+   232    16.1819    770(28)           792.4697          790.5039                                                                   
+   233    16.2319    743(27)           792.7222          790.7256                                                                   
+   234    16.2819    719(27)           792.9741          790.9461                                                                   
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+   236    16.3817    720(27)           793.4768          791.3838                                                                   
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+   245    16.8158    796(29)           795.6569          793.2410                                                                   
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+   247    16.9160    784(29)           796.1600          793.6590                                                                   
+   248    16.9661    785(29)           796.4119          793.8666                                                                   
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+   251    17.1161    750(28)           797.1672          794.4823                                                                   
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+   259    17.5160    770(28)           799.2008          796.0820                                                                   
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+   261    17.6158    783(29)           799.7154          796.4718                                                                   
+   262    17.6658    803(29)           799.9743          796.6655                                                                   
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+   264    17.7658    773(29)           800.4958          797.0503                                                                   
+   265    17.8157    786(29)           800.7580          797.2411                                                                   
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+   267    17.9156    805(29)           801.2863          797.6198                                                                   
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+   275    18.3029    790(29)           803.4009          799.0536                                                                   
+   276    18.3530    792(29)           803.6837          799.2349                                                                   
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+   278    18.4531    779(28)           804.2574          799.5946                                                                   
+   279    18.5029    769(28)           804.5476          799.7724                                                                   
+   280    18.5529    735(28)           804.8420          799.9499                                                                   
+   281    18.6030    785(29)           805.1403          800.1267                                                                   
+   282    18.6529    716(27)           805.4407          800.3018                                                                   
+   283    18.7029    734(27)           805.7461          800.4766                                                                   
+   284    18.7529    785(29)           806.0551          800.6502                                                                   
+   285    18.8028    724(27)           806.3684          800.8229                                                                   
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+   288    18.9527    734(28)           807.3381          801.3359                                                                   
+   289    19.0027    770(28)           807.6720          801.5050                                                                   
+   290    19.0526    751(28)           808.0118          801.6733                                                                   
+   291    19.1024    808(29)           808.3566          801.8400                                                                   
+   292    19.1525    773(28)           808.7106          802.0070                                                                   
+   293    19.2025    797(29)           809.0715          802.1730                                                                   
+   294    19.2524    763(28)           809.4388          802.3375                                                                   
+   295    19.2976    752(29)           809.7783          802.4856                                                                   
+   296    19.3477    695(28)           810.1633          802.6492                                                                   
+   297    19.3977    760(29)           810.5574          802.8117                                                                   
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+   299    19.4978    786(29)           811.3754          803.1339                                                                   
+   300    19.5478    798(30)           811.8005          803.2935                                                                   
+   301    19.5978    738(29)           812.2386          803.4526                                                                   
+   302    19.6479    794(30)           812.6895          803.6107                                                                   
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+   311    20.0976    792(30)           817.5084          804.9927                                                                   
+   312    20.1475    830(30)           818.1553          805.1420                                                                   
+   313    20.1976    803(30)           818.8327          805.2907                                                                   
+   314    20.2475    757(29)           819.5406          805.4382                                                                   
+   315    20.2975    803(30)           820.2827          805.5849                                                                   
+   316    20.3472    834(30)           821.0594          805.7303                                                                   
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+   318    20.4474    790(29)           822.7480          806.0201                                                                   
+   319    20.4973    775(29)           823.6600          806.1634                                                                   
+   320    20.5635    857(33)           824.9523          806.3522                                                                   
+   321    20.6136    853(33)           825.9995          806.4940                                                                   
+   322    20.6636    894(33)           827.1122          806.6349                                                                   
+   323    20.7137    887(33)           828.2985          806.7751                                                                   
+   324    20.7637    918(34)           829.5610          806.9141                                                                   
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+   327    20.9138    1064(37)           833.9260          807.3265                                                                  
+   328    20.9638    1105(37)           835.6102          807.4624                                                                  
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+   338    21.4634    1491(44)           870.3391          808.7748                                                                  
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+   341    21.6131    1804(49)           916.3561          809.1523                                                                  
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+   351    22.1240    3810(71)          3137.0410          810.3876                                                                  
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+   353    22.2241    4466(77)          4488.1396          810.6202                                                                  
+   354    22.2739    4631(79)          5272.5581          810.7347                                                                  
+   355    22.3240    5280(85)          6099.5820          810.8489                                                                  
+   356    22.3740    5829(91)          6929.6763          810.9626                                                                  
+   357    22.4239    6574(98)          7713.3809          811.0750                                                                  
+   358    22.4739    7110(103)          8406.5732          811.1870                                                                 
+   359    22.5239    7852(110)          8957.1143          811.2980                                                                 
+   360    22.5738    8052(112)          9322.6582          811.4082                                                                 
+   361    22.6237    7989(112)          9472.4473          811.5176                                                                 
+   362    22.6737    7960(111)          9393.0898          811.6265                                                                 
+   363    22.7237    7849(110)          9090.8525          811.7346                                                                 
+   364    22.7737    7411(106)          8592.8965          811.8419                                                                 
+   365    22.8236    7183(104)          7939.3750          811.9484                                                                 
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+   367    22.9235    6176(95)          6358.9985          812.1590                                                                  
+   368    22.9736    5645(90)          5526.4341          812.2635                                                                  
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+   370    23.0697    4226(78)          4036.5437          812.4622                                                                  
+   371    23.1199    3632(71)          3369.0322          812.5646                                                                  
+   372    23.1699    3039(64)          2795.5525          812.6661                                                                  
+   373    23.2200    2752(61)          2318.6206          812.7671                                                                  
+   374    23.2700    2331(55)          1935.7366          812.8671                                                                  
+   375    23.3199    2049(52)          1636.6641          812.9661                                                                  
+   376    23.3700    1742(47)          1409.3154          813.0648                                                                  
+   377    23.4200    1452(43)          1241.6091          813.1627                                                                  
+   378    23.4701    1216(39)          1120.9487          813.2597                                                                  
+   379    23.5199    1052(36)          1036.3682          813.3558                                                                  
+   380    23.5700    967(34)           977.8307          813.4514                                                                   
+   381    23.6200    968(34)           938.0052          813.5464                                                                   
+   382    23.6699    949(34)           911.2860          813.6403                                                                   
+   383    23.7199    920(34)           893.2103          813.7338                                                                   
+   384    23.7699    885(33)           880.8947          813.8264                                                                   
+   385    23.8198    889(33)           873.3301          813.9183                                                                   
+   386    23.8697    894(33)           867.1028          814.0094                                                                   
+   387    23.9197    864(32)           862.3836          814.0999                                                                   
+   388    23.9697    848(32)           858.6357          814.1898                                                                   
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+   391    24.1194    800(31)           850.5995          814.4545                                                                   
+   392    24.1695    809(31)           848.5367          814.5417                                                                   
+   393    24.2196    869(32)           846.6821          814.6282                                                                   
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+   395    24.3191    931(37)           843.4879          814.7980                                                                   
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+   397    24.4193    886(36)           840.8077          814.9661                                                                   
+   398    24.4694    916(37)           839.6316          815.0491                                                                   
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+   400    24.5693    902(37)           837.5611          815.2125                                                                   
+   401    24.6194    832(35)           836.6438          815.2933                                                                   
+   402    24.6694    881(36)           835.7973          815.3735                                                                   
+   403    24.7195    909(37)           835.0147          815.4529                                                                   
+   404    24.7693    891(36)           834.2931          815.5315                                                                   
+   405    24.8194    824(35)           833.6222          815.6095                                                                   
+   406    24.8694    873(36)           832.9993          815.6869                                                                   
+   407    24.9193    869(36)           832.4235          815.7634                                                                   
+   408    24.9693    844(35)           831.8873          815.8395                                                                   
+   409    25.0193    870(36)           831.3892          815.9147                                                                   
+   410    25.0692    842(35)           830.9261          815.9893                                                                   
+   411    25.1191    871(36)           830.4952          816.0631                                                                   
+   412    25.1691    808(34)           830.0936          816.1363                                                                   
+   413    25.2191    787(34)           829.7188          816.2090                                                                   
+   414    25.2691    799(34)           829.3700          816.2809                                                                   
+   415    25.3190    788(34)           829.0450          816.3521                                                                   
+   416    25.3688    789(34)           828.7430          816.4224                                                                   
+   417    25.4189    834(35)           828.4598          816.4926                                                                   
+   418    25.4689    800(34)           828.1956          816.5619                                                                   
+   419    25.5188    823(35)           827.9502          816.6304                                                                   
+   420    25.5732    801(34)           827.7017          816.7044                                                                   
+   421    25.6233    786(33)           827.4889          816.7718                                                                   
+   422    25.6734    793(33)           827.2908          816.8385                                                                   
+   423    25.7235    819(35)           827.1064          816.9046                                                                   
+   424    25.7735    797(34)           826.9354          816.9699                                                                   
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+   426    25.8735    821(34)           826.6284          817.0987                                                                   
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+   430    26.0734    848(34)           826.1387          817.3484                                                                   
+   431    26.1235    844(35)           826.0388          817.4092                                                                   
+   432    26.1734    803(34)           825.9473          817.4692                                                                   
+   433    26.2234    745(32)           825.8634          817.5289                                                                   
+   434    26.2734    776(33)           825.7869          817.5877                                                                   
+   435    26.3233    811(34)           825.7175          817.6459                                                                   
+   436    26.3732    815(34)           825.6547          817.7036                                                                   
+   437    26.4232    748(33)           825.5983          817.7605                                                                   
+   438    26.4732    769(33)           825.5479          817.8170                                                                   
+   439    26.5232    738(32)           825.5034          817.8727                                                                   
+   440    26.5731    816(34)           825.4646          817.9279                                                                   
+   441    26.6229    744(32)           825.4312          817.9821                                                                   
+   442    26.6730    724(32)           825.4029          818.0361                                                                   
+   443    26.7230    794(33)           825.3796          818.0895                                                                   
+   444    26.7729    830(34)           825.3612          818.1420                                                                   
+   445    26.8354    804(29)           825.3449          818.2070                                                                   
+   446    26.8855    766(29)           825.3369          818.2585                                                                   
+   447    26.9356    816(30)           825.3333          818.3092                                                                   
+   448    26.9857    823(30)           825.3340          818.3594                                                                   
+   449    27.0356    823(30)           825.3389          818.4088                                                                   
+   450    27.0856    827(30)           825.3478          818.4576                                                                   
+   451    27.1356    815(29)           825.3609          818.5060                                                                   
+   452    27.1857    810(29)           825.3779          818.5536                                                                   
+   453    27.2357    764(28)           825.3989          818.6008                                                                   
+   454    27.2856    820(30)           825.4236          818.6472                                                                   
+   455    27.3356    885(31)           825.4520          818.6929                                                                   
+   456    27.3857    831(30)           825.4845          818.7383                                                                   
+   457    27.4355    786(29)           825.5206          818.7830                                                                   
+   458    27.4856    794(29)           825.5604          818.8270                                                                   
+   459    27.5355    871(31)           825.6039          818.8704                                                                   
+   460    27.5855    755(28)           825.6513          818.9133                                                                   
+   461    27.6354    814(29)           825.7023          818.9555                                                                   
+   462    27.6853    789(29)           825.7573          818.9973                                                                   
+   463    27.7354    803(29)           825.8160          819.0384                                                                   
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+   467    27.9351    807(29)           826.0905          819.1970                                                                   
+   468    27.9852    810(29)           826.1695          819.2354                                                                   
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+   473    28.2415    841(33)           826.6437          819.4224                                                                   
+   474    28.2914    851(33)           826.7507          819.4570                                                                   
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+   476    28.3914    813(32)           826.9808          819.5249                                                                   
+   477    28.4415    779(32)           827.1041          819.5580                                                                   
+   478    28.4915    815(32)           827.2333          819.5906                                                                   
+   479    28.5414    825(32)           827.3680          819.6224                                                                   
+   480    28.5914    855(33)           827.5096          819.6538                                                                   
+   481    28.6415    861(34)           827.6578          819.6846                                                                   
+   482    28.6913    807(32)           827.8126          819.7148                                                                   
+   483    28.7414    831(33)           827.9749          819.7446                                                                   
+   484    28.7913    874(33)           828.1449          819.7738                                                                   
+   485    28.8412    886(34)           828.3228          819.8024                                                                   
+   486    28.8912    843(33)           828.5091          819.8304                                                                   
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+   488    28.9911    826(32)           828.9097          819.8849                                                                   
+   489    29.0411    880(33)           829.1246          819.9113                                                                   
+   490    29.0911    877(33)           829.3503          819.9372                                                                   
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+   492    29.1909    835(33)           829.8358          819.9873                                                                   
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+   494    29.2909    850(33)           830.3731          820.0353                                                                   
+   495    29.3235    893(36)           830.5608          820.0505                                                                   
+   496    29.3736    852(35)           830.8616          820.0735                                                                   
+   497    29.4237    863(35)           831.1785          820.0959                                                                   
+   498    29.4738    800(34)           831.5131          820.1177                                                                   
+   499    29.5237    921(36)           831.8652          820.1390                                                                   
+   500    29.5737    865(35)           832.2374          820.1597                                                                   
+   501    29.6238    894(36)           832.6320          820.1800                                                                   
+   502    29.6738    878(36)           833.0495          820.1997                                                                   
+   503    29.7239    869(35)           833.4922          820.2190                                                                   
+   504    29.7737    860(35)           833.9598          820.2375                                                                   
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+   506    29.8738    851(35)           834.9890          820.2734                                                                   
+   507    29.9237    869(35)           835.5519          820.2905                                                                   
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+   510    30.0736    860(35)           837.4796          820.3387                                                                   
+   511    30.1235    804(34)           838.2128          820.3538                                                                   
+   512    30.1735    820(34)           838.9990          820.3683                                                                   
+   513    30.2235    859(35)           839.8447          820.3824                                                                   
+   514    30.2735    854(35)           840.7527          820.3961                                                                   
+   515    30.3234    830(34)           841.7303          820.4091                                                                   
+   516    30.3732    817(34)           842.7818          820.4216                                                                   
+   517    30.4233    790(34)           843.9255          820.4336                                                                   
+   518    30.4733    844(35)           845.1642          820.4453                                                                   
+   519    30.5232    829(34)           846.5049          820.4563                                                                   
+   520    30.5563    832(33)           847.4580          820.4634                                                                   
+   521    30.6064    837(33)           849.0103          820.4736                                                                   
+   522    30.6565    866(33)           850.7073          820.4834                                                                   
+   523    30.7066    818(32)           852.5735          820.4927                                                                   
+   524    30.7565    935(35)           854.6309          820.5015                                                                   
+   525    30.8065    944(35)           856.9265          820.5097                                                                   
+   526    30.8566    921(35)           859.5296          820.5176                                                                   
+   527    30.9066    920(35)           862.5381          820.5248                                                                   
+   528    30.9566    961(35)           866.1249          820.5317                                                                   
+   529    31.0065    976(36)           870.5599          820.5380                                                                   
+   530    31.0565    1099(38)           876.3498          820.5438                                                                  
+   531    31.1066    1240(41)           884.2823          820.5493                                                                  
+   532    31.1565    1249(41)           895.5511          820.5542                                                                  
+   533    31.2065    1385(43)           912.1774          820.5587                                                                  
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+   536    31.3563    1583(47)          1029.7345          820.5691                                                                  
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+   539    31.5063    2144(55)          1391.9326          820.5754                                                                  
+   540    31.5562    2382(59)          1617.6071          820.5765                                                                  
+   541    31.6060    2656(62)          1913.8730          820.5772                                                                  
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+   543    31.7061    3194(69)          2772.4797          820.5772                                                                  
+   544    31.7560    3468(72)          3341.5107          820.5766                                                                  
+   545    31.8092    3965(82)          4045.4360          820.5753                                                                  
+   546    31.8593    4513(88)          4783.2100          820.5737                                                                  
+   547    31.9094    5196(95)          5565.0962          820.5717                                                                  
+   548    31.9595    5805(100)          6354.3574          820.5691                                                                 
+   549    32.0094    6754(110)          7101.8809          820.5661                                                                 
+   550    32.0594    7398(116)          7759.7368          820.5627                                                                 
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+   552    32.1595    8236(125)          8610.5859          820.5544                                                                 
+   553    32.2095    8200(124)          8726.6982          820.5497                                                                 
+   554    32.2594    8073(122)          8615.7793          820.5444                                                                 
+   555    32.3094    7971(121)          8288.0801          820.5388                                                                 
+   556    32.3595    7587(117)          7773.4536          820.5326                                                                 
+   557    32.4094    7168(113)          7119.4600          820.5261                                                                 
+   558    32.4594    6622(107)          6372.4600          820.5192                                                                 
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+   560    32.5593    5204(92)          4805.6978          820.5040                                                                  
+   561    32.6092    4630(86)          4068.7739          820.4957                                                                  
+   562    32.6591    3910(78)          3402.2012          820.4869                                                                  
+   563    32.7092    3211(70)          2822.7559          820.4778                                                                  
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+   565    32.8091    2533(62)          1948.2283          820.4582                                                                  
+   566    32.8589    2106(56)          1644.0903          820.4478                                                                  
+   567    32.9089    1722(50)          1412.4575          820.4371                                                                  
+   568    32.9590    1428(45)          1242.4749          820.4257                                                                  
+   569    33.0089    1154(40)          1121.4673          820.4140                                                                  
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+   571    33.1042    961(34)           983.7668          820.3905                                                                   
+   572    33.1543    994(35)           943.4824          820.3776                                                                   
+   573    33.2044    916(33)           916.6351          820.3643                                                                   
+   574    33.2543    894(33)           898.7771          820.3506                                                                   
+   575    33.3043    881(32)           886.6850          820.3364                                                                   
+   576    33.3543    894(33)           878.2578          820.3219                                                                   
+   577    33.4044    899(33)           872.1538          820.3069                                                                   
+   578    33.4544    884(33)           867.5115          820.2914                                                                   
+   579    33.5043    853(32)           863.8182          820.2757                                                                   
+   580    33.5543    866(32)           860.7316          820.2595                                                                   
+   581    33.6044    876(32)           858.0740          820.2429                                                                   
+   582    33.6543    877(33)           855.7446          820.2259                                                                   
+   583    33.7043    794(31)           853.6575          820.2085                                                                   
+   584    33.7542    780(31)           851.7768          820.1907                                                                   
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+   587    33.9040    862(32)           847.0853          820.1350                                                                   
+   588    33.9541    821(31)           845.7740          820.1155                                                                   
+   589    34.0040    854(32)           844.5703          820.0958                                                                   
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+   598    34.4455    840(29)           837.1824          819.9044                                                                   
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+   600    34.5454    882(30)           836.0750          819.8570                                                                   
+   601    34.5954    866(30)           835.5753          819.8326                                                                   
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+   604    34.7454    920(31)           834.2676          819.7574                                                                   
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+   613    35.1952    880(30)           831.6287          819.5122                                                                   
+   614    35.2451    843(29)           831.4270          819.4832                                                                   
+   615    35.2951    884(30)           831.2404          819.4537                                                                   
+   616    35.3448    805(29)           831.0689          819.4242                                                                   
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+   623    35.7140    862(30)           830.1981          819.1934                                                                   
+   624    35.7640    840(30)           830.1301          819.1607                                                                   
+   625    35.8139    872(30)           830.0736          819.1277                                                                   
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+   627    35.9140    835(30)           829.9937          819.0605                                                                   
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+   629    36.0139    879(31)           829.9583          818.9922                                                                   
+   630    36.0639    865(30)           829.9573          818.9575                                                                   
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+   634    36.2639    837(30)           830.0676          818.8154                                                                   
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+   638    36.4637    874(30)           830.3712          818.6680                                                                   
+   639    36.5137    768(29)           830.4800          818.6302                                                                   
+   640    36.5636    812(29)           830.6028          818.5923                                                                   
+   641    36.6134    787(29)           830.7399          818.5543                                                                   
+   642    36.6635    800(29)           830.8931          818.5156                                                                   
+   643    36.7135    840(30)           831.0624          818.4765                                                                   
+   644    36.7634    840(30)           831.2479          818.4373                                                                   
+   645    36.8374    791(29)           831.5558          818.3787                                                                   
+   646    36.8875    814(29)           831.7882          818.3386                                                                   
+   647    36.9376    804(29)           832.0405          818.2981                                                                   
+   648    36.9877    788(29)           832.3148          818.2574                                                                   
+   649    37.0376    770(28)           832.6112          818.2164                                                                   
+   650    37.0876    792(29)           832.9321          818.1752                                                                   
+   651    37.1377    788(29)           833.2798          818.1336                                                                   
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+   654    37.2876    792(29)           834.4966          818.0071                                                                   
+   655    37.3376    786(29)           834.9687          817.9642                                                                   
+   656    37.3877    785(29)           835.4789          817.9211                                                                   
+   657    37.4376    788(29)           836.0272          817.8778                                                                   
+   658    37.4876    815(29)           836.6209          817.8342                                                                   
+   659    37.5376    809(29)           837.2611          817.7901                                                                   
+   660    37.5875    788(29)           837.9529          817.7460                                                                   
+   661    37.6374    782(29)           838.7008          817.7014                                                                   
+   662    37.6874    743(28)           839.5106          817.6566                                                                   
+   663    37.7374    760(28)           840.3893          817.6115                                                                   
+   664    37.7874    788(29)           841.3408          817.5660                                                                   
+   665    37.8373    767(28)           842.3735          817.5204                                                                   
+   666    37.8871    761(28)           843.4921          817.4746                                                                   
+   667    37.9372    806(29)           844.7172          817.4283                                                                   
+   668    37.9872    792(29)           846.0525          817.3816                                                                   
+   669    38.0371    785(29)           847.5064          817.3348                                                                   
+   670    38.0778    837(30)           848.7927          817.2965                                                                   
+   671    38.1279    812(30)           850.5147          817.2491                                                                   
+   672    38.1780    827(30)           852.4069          817.2014                                                                   
+   673    38.2281    813(30)           854.4957          817.1533                                                                   
+   674    38.2780    801(29)           857.8506          817.1052                                                                   
+   675    38.3280    857(30)           860.4420          817.0568                                                                   
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+   677    38.4281    894(31)           866.7374          816.9589                                                                   
+   678    38.4781    849(30)           870.7065          816.9097                                                                   
+   679    38.5280    896(31)           875.5447          816.8602                                                                   
+   680    38.5780    960(32)           881.7647          816.8104                                                                   
+   681    38.6281    922(32)           890.1776          816.7603                                                                   
+   682    38.6780    1028(33)           902.0422          816.7100                                                                  
+   683    38.7280    1048(34)           919.5447          816.6594                                                                  
+   684    38.7780    1110(35)           945.8502          816.6085                                                                  
+   685    38.8279    1302(38)           985.7161          816.5574                                                                  
+   686    38.8778    1383(39)          1045.8688          816.5061                                                                  
+   687    38.9278    1525(42)          1135.4619          816.4546                                                                  
+   688    38.9778    1656(44)          1266.4053          816.4026                                                                  
+   689    39.0278    1803(46)          1452.3534          816.3505                                                                  
+   690    39.0777    2165(51)          1709.2123          816.2982                                                                  
+   691    39.1275    2524(55)          2051.7656          816.2456                                                                  
+   692    39.1776    2821(59)          2498.1738          816.1927                                                                  
+   693    39.2276    3181(63)          3056.4128          816.1394                                                                  
+   694    39.2775    3658(68)          3726.7100          816.0861                                                                  
+   695    39.3286    4322(72)          4521.3530          816.0314                                                                  
+   696    39.3787    5222(80)          5386.8916          815.9773                                                                  
+   697    39.4287    5964(86)          6301.1333          815.9230                                                                  
+   698    39.4788    7301(97)          7216.7710          815.8685                                                                  
+   699    39.5288    8252(104)          8071.7583          815.8139                                                                 
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+   720    40.5802    950(30)          1001.4733          814.6106                                                                   
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+   728    40.9805    863(29)           864.5602          814.1267                                                                   
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+   970    53.0947    787(30)           827.4336          795.9257                                                                   
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+   972    53.1949    798(30)           822.5145          795.7679                                                                   
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+  1209    64.9872    783(30)           780.1970          780.1969                                                                   
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+  1253    67.1907    778(29)           793.1740          778.3284                                                                   
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+  1279    68.5040    779(30)           805.4342          777.4214                                                                   
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+  1295    69.3218    707(29)           824.6188          776.9387                                                                   
+  1296    69.3719    657(28)           826.4196          776.9113                                                                   
+  1297    69.4220    664(28)           828.3258          776.8841                                                                   
+  1298    69.4721    700(29)           830.3490          776.8571                                                                   
+  1299    69.5220    690(28)           832.4901          776.8304                                                                   
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+  1302    69.6721    736(29)           839.7750          776.7518                                                                   
+  1303    69.7221    678(28)           842.5299          776.7261                                                                   
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+  1308    69.9720    685(28)           863.8345          776.6014                                                                   
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+  1310    70.0719    686(28)           872.6321          776.5532                                                                   
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+  1370    73.0524    991(31)          1069.0488          775.5842                                                                   
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+  1377    73.4027    993(31)           956.1635          775.5313                                                                   
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+  1381    73.6027    993(31)           922.5886          775.5070                                                                   
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+  1401    74.5922    925(31)           873.9792          775.4500                                                                   
+  1402    74.6423    921(31)           874.7451          775.4500                                                                   
+  1403    74.6923    891(30)           875.8162          775.4501                                                                   
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+  1406    74.8423    897(30)           881.0285          775.4525                                                                   
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+  1452    77.1280    2216(48)          1984.4263          775.7950                                                                  
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+  1454    77.2279    1410(38)          1362.4121          775.8232                                                                  
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+  1459    77.4779    923(30)           987.7850          775.8989                                                                   
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+  1499    79.4889    793(26)           802.3861          776.7646                                                                   
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+  1503    79.6890    769(26)           800.9284          776.8759                                                                   
+  1504    79.7389    766(26)           800.7102          776.9044                                                                   
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+  1536    81.3281    989(30)          1067.4095          777.9597                                                                   
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+  1539    81.4780    897(29)           886.5309          778.0742                                                                   
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+  1547    81.8748    816(28)           797.2542          778.3895                                                                   
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+  1794    94.2277    1505(39)          1509.2012          796.9172                                                                  
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+  1798    94.4179    1134(34)          1137.7582          797.3259                                                                  
+  1799    94.4678    984(32)          1045.8607          797.4337                                                                   
+  1800    94.5178    1010(32)           971.2740          797.5418                                                                  
+  1801    94.5679    962(31)           914.9081          797.6505                                                                   
+  1802    94.6179    844(29)           875.1686          797.7592                                                                   
+  1803    94.6679    864(30)           848.7673          797.8682                                                                   
+  1804    94.7178    829(29)           832.1442          797.9771                                                                   
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+  1815    95.2675    841(29)           804.7296          799.1920                                                                   
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+  1819    95.4673    805(28)           803.7125          799.6404                                                                   
+  1820    95.5262    783(29)           803.5252          799.7731                                                                   
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+  1823    95.6764    799(29)           803.2032          800.1135                                                                   
+  1824    95.7264    832(30)           803.1360          800.2271                                                                   
+  1825    95.7764    852(30)           803.0846          800.3409                                                                   
+  1826    95.8264    847(30)           802.8746          800.4553                                                                   
+  1827    95.8765    833(30)           802.8529          800.5696                                                                   
+  1828    95.9265    805(29)           802.8427          800.6843                                                                   
+  1829    95.9763    866(31)           802.8426          800.7988                                                                   
+  1830    96.0264    892(31)           802.8515          800.9139                                                                   
+  1831    96.0764    840(30)           802.8687          801.0292                                                                   
+  1832    96.1263    839(30)           802.8932          801.1444                                                                   
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+  1841    96.5758    845(30)           803.3573          802.1921                                                                   
+  1842    96.6259    870(31)           803.4288          802.3099                                                                   
+  1843    96.6760    796(29)           803.5031          802.4279                                                                   
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+  1845    96.7628    819(29)           803.6385          802.6331                                                                   
+  1846    96.8130    758(27)           803.7198          802.7518                                                                   
+  1847    96.8630    802(28)           803.8035          802.8705                                                                   
+  1848    96.9131    857(29)           803.8892          802.9896                                                                   
+  1849    96.9631    779(28)           803.9766          803.1085                                                                   
+  1850    97.0130    870(29)           804.0659          803.2277                                                                   
+  1851    97.0631    863(29)           804.1570          803.3473                                                                   
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+  1855    97.2631    807(28)           804.5365          803.8270                                                                   
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+  1861    97.5629    803(28)           805.1434          804.5527                                                                   
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+  1871    98.0730    777(26)           809.7405          805.8040                                                                   
+  1872    98.1230    810(27)           809.9252          805.9279                                                                   
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+  1875    98.2730    771(26)           810.4960          806.3005                                                                   
+  1876    98.3231    793(26)           810.6926          806.4252                                                                   
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+  1879    98.4730    830(27)           811.3008          806.8000                                                                   
+  1880    98.5231    760(26)           811.5106          806.9254                                                                   
+  1881    98.5731    805(27)           811.7241          807.0511                                                                   
+  1882    98.6230    775(26)           811.9407          807.1766                                                                   
+  1883    98.6730    797(26)           812.1616          807.3024                                                                   
+  1884    98.7230    805(27)           812.3865          807.4285                                                                   
+  1885    98.7729    798(27)           812.6154          807.5546                                                                   
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+  1888    98.9228    783(26)           813.3295          807.9345                                                                   
+  1889    98.9728    783(26)           813.5771          808.0615                                                                   
+  1890    99.0227    797(27)           813.8299          808.1886                                                                   
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+  1897    99.3919    806(28)           815.8843          809.1342                                                                   
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+  1899    99.4920    859(29)           816.5079          809.3921                                                                   
+  1900    99.5419    861(29)           816.8322          809.5212                                                                   
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+  1905    99.7919    833(29)           818.6021          810.1700                                                                   
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+  1910   100.0418    848(29)           820.4790          810.8229                                                                   
+  1911   100.0917    782(28)           820.9429          810.9539                                                                   
+  1912   100.1417    764(28)           821.4248          811.0851                                                                   
+  1913   100.1917    810(28)           821.9265          811.2168                                                                   
+  1914   100.2417    829(29)           822.4477          811.3484                                                                   
+  1915   100.2916    834(29)           822.9903          811.4800                                                                   
+  1916   100.3414    777(28)           823.5546          811.6116                                                                   
+  1917   100.3915    808(28)           824.1475          811.7440                                                                   
+  1918   100.4416    770(28)           824.7674          811.8766                                                                   
+  1919   100.4914    860(29)           825.4144          812.0089                                                                   
+  1920   100.5384    798(31)           826.0518          812.1335                                                                   
+  1921   100.5885    771(31)           826.7656          812.2667                                                                   
+  1922   100.6386    802(32)           827.5159          812.4000                                                                   
+  1923   100.6887    812(32)           828.3069          812.5334                                                                   
+  1924   100.7386    835(32)           829.1395          812.6667                                                                   
+  1925   100.7886    755(30)           830.0197          812.8003                                                                   
+  1926   100.8386    810(31)           830.9536          812.9342                                                                   
+  1927   100.8887    808(31)           831.9442          813.0683                                                                   
+  1928   100.9387    808(31)           832.9973          813.2025                                                                   
+  1929   100.9886    767(30)           834.1148          813.3364                                                                   
+  1930   101.0386    829(32)           835.3110          813.4709                                                                   
+  1931   101.0887    788(31)           836.5925          813.6057                                                                   
+  1932   101.1385    802(31)           837.9604          813.7401                                                                   
+  1933   101.1886    765(30)           839.4345          813.8751                                                                   
+  1934   101.2385    814(31)           841.0203          814.0101                                                                   
+  1935   101.2885    799(31)           842.7316          814.1451                                                                   
+  1936   101.3384    823(32)           844.5839          814.2803                                                                   
+  1937   101.3883    812(31)           846.5960          814.4157                                                                   
+  1938   101.4384    811(31)           848.7911          814.5516                                                                   
+  1939   101.4883    814(31)           851.1848          814.6874                                                                   
+  1940   101.5383    835(32)           853.8073          814.8233                                                                   
+  1941   101.5881    859(32)           856.6801          814.9589                                                                   
+  1942   101.6381    802(31)           859.8693          815.0955                                                                   
+  1943   101.6882    801(31)           863.4012          815.2322                                                                   
+  1944   101.7381    811(31)           867.3177          815.3687                                                                   
+  1945   101.7831    865(31)           871.2430          815.4919                                                                   
+  1946   101.8332    849(30)           876.1155          815.6292                                                                   
+  1947   101.8833    927(31)           881.6058          815.7665                                                                   
+  1948   101.9334    863(31)           887.8339          815.9041                                                                   
+  1949   101.9834    889(31)           894.9116          816.0414                                                                   
+  1950   102.0333    903(31)           903.0365          816.1790                                                                   
+  1951   102.0834    878(31)           912.4689          816.3168                                                                   
+  1952   102.1334    887(31)           923.5433          816.4548                                                                   
+  1953   102.1835    956(32)           936.8650          816.5930                                                                   
+  1954   102.2333    915(31)           953.4871          816.7309                                                                   
+  1955   102.2833    1007(33)           975.7426          816.8693                                                                  
+  1956   102.3334    946(32)          1008.1068          817.0081                                                                   
+  1957   102.3833    949(32)          1062.2915          817.1464                                                                   
+  1958   102.4333    984(33)          1147.5261          817.2853                                                                   
+  1959   102.4833    1016(33)          1292.3661          817.4241                                                                  
+  1960   102.5332    1107(35)          1534.6594          817.5630                                                                  
+  1961   102.5831    1481(40)          1923.6738          817.7021                                                                  
+  1962   102.6331    2040(49)          2513.3457          817.8413                                                                  
+  1963   102.6831    3116(60)          3348.5137          817.9810                                                                  
+  1964   102.7331    4820(78)          4438.8291          818.1207                                                                  
+  1965   102.7830    6815(95)          5742.6304          818.2603                                                                  
+  1966   102.8328    8309(108)          7145.7080          818.3997                                                                 
+  1967   102.8829    9565(118)          8482.9082          818.5400                                                                 
+  1968   102.9329    9825(120)          9513.7812          818.6805                                                                 
+  1969   102.9828    9957(121)         10008.2256          818.8206                                                                 
+  1970   103.0283    9453(112)          9881.6650          818.9484                                                                 
+  1971   103.0784    8475(104)          9140.8877          819.0894                                                                 
+  1972   103.1285    7204(94)          7953.9907          819.2305                                                                  
+  1973   103.1786    6120(85)          6560.1309          819.3716                                                                  
+  1974   103.2285    4776(74)          5178.0430          819.5126                                                                  
+  1975   103.2785    3862(66)          3954.4619          819.6538                                                                  
+  1976   103.3286    3108(58)          2968.9824          819.7953                                                                  
+  1977   103.3786    2539(52)          2240.8794          819.9370                                                                  
+  1978   103.4287    2119(47)          1741.7330          820.0787                                                                  
+  1979   103.4785    1656(42)          1422.2228          820.2201                                                                  
+  1980   103.5285    1467(39)          1226.6887          820.3621                                                                  
+  1981   103.5786    1223(35)          1111.2693          820.5044                                                                  
+  1982   103.6285    1081(33)          1043.6974          820.6461                                                                  
+  1983   103.6785    1063(33)          1002.4755          820.7886                                                                  
+  1984   103.7285    915(30)           975.6562          820.9308                                                                   
+  1985   103.7784    985(31)           956.6215          821.0732                                                                   
+  1986   103.8283    962(31)           942.0334          821.2157                                                                   
+  1987   103.8783    954(31)           930.2355          821.3583                                                                   
+  1988   103.9283    892(30)           920.3732          821.5015                                                                   
+  1989   103.9783    907(30)           912.0083          821.6445                                                                   
+  1990   104.0282    854(29)           904.8315          821.7875                                                                   
+  1991   104.0780    891(30)           898.6460          821.9302                                                                   
+  1992   104.1281    903(30)           893.2411          822.0739                                                                   
+  1993   104.1781    872(30)           888.5311          822.2177                                                                   
+  1994   104.2280    852(29)           884.4249          822.3611                                                                   
+  1995   104.2749    866(33)           881.0311          822.4958                                                                   
+  1996   104.3250    883(33)           877.8271          822.6401                                                                   
+  1997   104.3750    904(33)           875.0106          822.7844                                                                   
+  1998   104.4251    871(33)           872.5291          822.9289                                                                   
+  1999   104.4751    928(34)           870.3502          823.0732                                                                   
+  2000   104.5251    884(33)           868.4317          823.2174                                                                   
+  2001   104.5751    919(34)           866.7431          823.3622                                                                   
+  2002   104.6252    890(33)           865.2640          823.5070                                                                   
+  2003   104.6752    875(33)           863.9732          823.6519                                                                   
+  2004   104.7251    868(33)           862.8572          823.7964                                                                   
+  2005   104.7751    925(34)           861.8934          823.9415                                                                   
+  2006   104.8252    822(32)           861.0719          824.0870                                                                   
+  2007   104.8750    882(33)           860.3862          824.2318                                                                   
+  2008   104.9250    877(33)           859.8221          824.3772                                                                   
+  2009   104.9750    866(33)           859.3752          824.5226                                                                   
+  2010   105.0249    895(33)           859.0385          824.6680                                                                   
+  2011   105.0749    915(34)           858.8071          824.8135                                                                   
+  2012   105.1248    896(33)           858.6771          824.9593                                                                   
+  2013   105.1749    856(32)           858.6456          825.1052                                                                   
+  2014   105.2248    873(33)           858.7114          825.2512                                                                   
+  2015   105.2748    890(33)           858.8735          825.3973                                                                   
+  2016   105.3245    914(34)           859.1304          825.5428                                                                   
+  2017   105.3746    920(34)           859.4864          825.6895                                                                   
+  2018   105.4247    917(34)           859.9415          825.8361                                                                   
+  2019   105.4746    913(34)           860.4972          825.9824                                                                   
+  2020   105.5136    882(33)           861.0046          826.0969                                                                   
+  2021   105.5637    898(33)           861.7548          826.2439                                                                   
+  2022   105.6137    885(33)           862.6207          826.3911                                                                   
+  2023   105.6638    899(33)           863.6105          826.5383                                                                   
+  2024   105.7138    908(34)           864.7288          826.6852                                                                   
+  2025   105.7637    948(34)           865.9889          826.8323                                                                   
+  2026   105.8138    866(33)           867.4064          826.9799                                                                   
+  2027   105.8638    890(33)           868.9915          827.1273                                                                   
+  2028   105.9139    905(33)           870.7629          827.2750                                                                   
+  2029   105.9637    884(33)           872.7326          827.4222                                                                   
+  2030   106.0138    939(34)           874.9379          827.5699                                                                   
+  2031   106.0639    930(34)           877.4030          827.7180                                                                   
+  2032   106.1137    950(34)           880.1472          827.8655                                                                   
+  2033   106.1637    903(33)           883.2271          828.0135                                                                   
+  2034   106.2137    973(35)           886.6771          828.1615                                                                   
+  2035   106.2636    979(35)           890.5546          828.3094                                                                   
+  2036   106.3135    963(35)           894.9268          828.4575                                                                   
+  2037   106.3635    999(35)           899.8794          828.6057                                                                   
+  2038   106.4135    994(35)           905.5142          828.7543                                                                   
+  2039   106.4635    1026(36)           911.9389          828.9028                                                                  
+  2040   106.5135    1007(35)           919.3040          829.0512                                                                  
+  2041   106.5632    1024(36)           927.7697          829.1993                                                                  
+  2042   106.6133    1115(37)           937.6711          829.3484                                                                  
+  2043   106.6634    1039(36)           949.3046          829.4974                                                                  
+  2044   106.7133    1134(38)           963.1582          829.6461                                                                  
+  2045   106.7725    1173(36)           983.9069          829.8228                                                                  
+  2046   106.8226    1239(36)          1007.4599          829.9724                                                                  
+  2047   106.8727    1144(35)          1041.0442          830.1218                                                                  
+  2048   106.9228    1042(33)          1093.4714          830.2714                                                                  
+  2049   106.9727    1102(34)          1180.7924          830.4207                                                                  
+  2050   107.0227    1181(35)          1330.8040          830.5702                                                                  
+  2051   107.0728    1274(37)          1586.2539          830.7200                                                                  
+  2052   107.1228    1691(43)          2002.8097          830.8699                                                                  
+  2053   107.1728    2369(51)          2641.9248          831.0197                                                                  
+  2054   107.2227    3600(65)          3557.8740          831.1691                                                                  
+  2055   107.2727    5355(82)          4748.1289          831.3192                                                                  
+  2056   107.3228    7645(101)          6164.8062          831.4693                                                                 
+  2057   107.3727    9275(115)          7661.2114          831.6191                                                                 
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+  2092   109.1290    886(29)           895.1917          836.9340                                                                   
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+  2100   109.5164    872(29)           892.7009          838.1155                                                                   
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+  2102   109.6165    875(29)           893.6284          838.4213                                                                   
+  2103   109.6666    861(29)           894.3134          838.5742                                                                   
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+  2111   110.0662    900(30)           905.4648          839.7966                                                                   
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+  2116   110.3159    924(30)           918.9287          840.5613                                                                   
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+  2120   110.5125    894(31)           934.9368          841.1639                                                                   
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+  2123   110.6628    953(32)           951.9651          841.6248                                                                   
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+  2125   110.7627    1039(33)           966.5298          841.9314                                                                  
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+  2129   110.9627    1039(33)          1007.3508          842.5452                                                                  
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+  2277   118.3569    887(31)           881.2833          864.8937                                                                   
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+  2287   118.8565    863(30)           879.0948          866.3362                                                                   
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+  2317   120.3522    871(33)           896.0696          870.5621                                                                   
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+  2319   120.4522    912(33)           899.4259          870.8390                                                                   
+  2320   120.5044    894(32)           901.4481          870.9835                                                                   
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+  2488   128.9039    893(27)           981.2290          890.5825                                                                   
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+  2507   129.8810    912(30)           941.6140          892.2407                                                                   
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+  2512   130.1308    915(30)           939.4857          892.6382                                                                   
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+  2515   130.2808    887(30)           939.1762          892.8716                                                                   
+  2516   130.3306    992(32)           939.2302          892.9482                                                                   
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+  2519   130.4806    907(30)           939.8757          893.1763                                                                   
+  2520   130.5306    938(35)           940.2585          893.2515                                                                   
+  2521   130.5807    950(35)           940.7303          893.3264                                                                   
+  2522   130.6308    1006(36)           941.2936          893.4006                                                                  
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+  2524   130.7309    937(35)           942.7133          893.5477                                                                   
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+  2526   130.8309    991(36)           944.5615          893.6929                                                                   
+  2527   130.8809    896(34)           945.6655          893.7648                                                                   
+  2528   130.9310    952(35)           946.9005          893.8363                                                                   
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+  2530   131.0308    933(35)           949.8017          893.9775                                                                   
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+  2540   131.5305    891(34)           977.9673          894.6558                                                                   
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+  2545   131.7626    994(37)          1006.1110          894.9543                                                                   
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+  2582   133.6105    1532(47)          1158.4637          896.9392                                                                  
+  2583   133.6606    1271(42)          1123.0348          896.9828                                                                  
+  2584   133.7105    1203(41)          1096.1238          897.0258                                                                  
+  2585   133.7604    1156(40)          1074.5560          897.0684                                                                  
+  2586   133.8104    1127(40)          1056.6622          897.1101                                                                  
+  2587   133.8603    922(36)          1041.4845          897.1515                                                                   
+  2588   133.9104    1012(38)          1028.4156          897.1924                                                                  
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+  3081   158.5371    881(33)           894.1990          813.3779                                                                   
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+  3128   160.8994    901(38)           861.9237          789.8423                                                                   
+  3129   160.9492    919(39)           861.7347          789.3068                                                                   
+  3130   160.9992    937(39)           861.5609          788.7681                                                                   
+  3131   161.0493    947(39)           861.4016          788.2266                                                                   
+  3132   161.0992    960(39)           861.2585          787.6861                                                                   
+  3133   161.1492    903(38)           861.1301          787.1421                                                                   
+  3134   161.1992    896(38)           861.0175          786.5973                                                                   
+  3135   161.2491    999(40)           860.9202          786.0511                                                                   
+  3136   161.2990    911(38)           860.8383          785.5033                                                                   
+  3137   161.3490    962(39)           860.7720          784.9536                                                                   
+  3138   161.3990    936(39)           860.7214          784.4012                                                                   
+  3139   161.4490    945(39)           860.6866          783.8478                                                                   
+  3140   161.4989    934(39)           860.6677          783.2931                                                                   
+  3141   161.5487    939(40)           860.6649          782.7384                                                                   
+  3142   161.5988    983(40)           860.6791          782.1791                                                                   
+  3143   161.6488    903(39)           860.7095          781.6179                                                                   
+  3144   161.6987    946(39)           860.7570          781.0571                                                                   
+  3145   161.7548    924(43)           860.8306          780.4250                                                                   
+  3146   161.8049    961(44)           860.9149          779.8582                                                                   
+  3147   161.8549    909(42)           861.0176          779.2900                                                                   
+  3148   161.9050    938(43)           861.1385          778.7197                                                                   
+  3149   161.9550    886(42)           861.2778          778.1497                                                                   
+  3150   162.0050    934(43)           861.4363          777.5775                                                                   
+  3151   162.0550    923(43)           861.6147          777.0026                                                                   
+  3152   162.1051    948(43)           861.8135          776.4263                                                                   
+  3153   162.1551    1005(45)           862.0332          775.8481                                                                  
+  3154   162.2050    921(43)           862.2736          775.2706                                                                   
+  3155   162.2550    957(43)           862.5370          774.6895                                                                   
+  3156   162.3051    1002(45)           862.8238          774.1057                                                                  
+  3157   162.3549    937(43)           863.1332          773.5226                                                                   
+  3158   162.4050    924(43)           863.4686          772.9363                                                                   
+  3159   162.4549    926(43)           863.8291          772.3490                                                                   
+  3160   162.5048    954(43)           864.2169          771.7606                                                                   
+  3161   162.5547    878(42)           864.6323          771.1699                                                                   
+  3162   162.6047    905(42)           865.0776          770.5773                                                                   
+  3163   162.6548    926(43)           865.5551          769.9821                                                                   
+  3164   162.7047    878(42)           866.0642          769.3862                                                                   
+  3165   162.7547    858(41)           866.6073          768.7885                                                                   
+  3166   162.8044    913(43)           867.1847          768.1915                                                                   
+  3167   162.8545    890(42)           867.8041          767.5885                                                                   
+  3168   162.9046    927(43)           868.4641          766.9842                                                                   
+  3169   162.9545    902(42)           869.1649          766.3802                                                                   
+  3170   163.0145    966(62)           870.0684          765.6520                                                                   
+  3171   163.0646    905(60)           870.8771          765.0413                                                                   
+  3172   163.1146    945(61)           871.7385          764.4300                                                                   
+  3173   163.1647    936(61)           872.6569          763.8158                                                                   
+  3174   163.2147    957(62)           873.6331          763.2020                                                                   
+  3175   163.2646    909(60)           874.6736          762.5864                                                                   
+  3176   163.3147    989(63)           875.7859          761.9678                                                                   
+  3177   163.3647    923(60)           876.9719          761.3477                                                                   
+  3178   163.4148    907(60)           878.2382          760.7257                                                                   
+  3179   163.4646    893(59)           879.5850          760.1042                                                                   
+  3180   163.5147    912(60)           881.0286          759.4791                                                                   
+  3181   163.5647    984(63)           882.5735          758.8511                                                                   
+  3182   163.6146    1061(65)           884.2194          758.2242                                                                  
+  3183   163.6646    929(61)           885.9850          757.5936                                                                   
+  3184   163.7146    960(62)           887.8729          756.9622                                                                   
+  3185   163.7645    968(61)           889.8934          756.3292                                                                   
+  3186   163.8145    962(62)           892.0579          755.6943                                                                   
+  3187   163.8644    955(61)           894.3788          755.0576                                                                   
+  3188   163.9144    916(60)           896.8733          754.4178                                                                   
+  3189   163.9644    982(63)           899.5444          753.7772                                                                   
+  3190   164.0143    917(60)           902.4098          753.1349                                                                   
+  3191   164.0641    920(61)           905.4754          752.4933                                                                   
+  3192   164.1142    973(62)           908.7868          751.8456                                                                   
+  3193   164.1643    1058(65)           912.3432          751.1965                                                                  
+  3194   164.2142    1061(65)           750.5477          750.5477                                                                  
+_pd_proc_number_of_points   3077
+ 
+loop_                          
+      _refln_index_h           
+      _refln_index_k           
+      _refln_index_l           
+      _refln_mult              
+      _pd_refln_phase_id       
+      _refln_observed_status   
+      _refln_F_squared_meas    
+      _refln_F_squared_calc    
+      _refln_phase_calc        
+      _refln_d_spacing         
+   1   0   0  6  1  o          2.0381        2.0224  180.00   4.15689
+   1   1   0 12  1  o          1.8082        1.7413    0.00   2.93936
+   1   1   1  8  1  o          4.2530        4.1941    0.00   2.39998
+   2   0   0  6  1  o          5.4973        5.7002    0.00   2.07844
+   2   1   0 24  1  o          0.9187        0.9288    0.00   1.85902
+   2   1   1 24  1  o          1.1971        1.1545  180.00   1.69704
+   2   2   0 12  1  o          0.0000        0.0000  180.00   1.46968
+   2   2   1 24  1  o         11.2956       11.0017    0.00   1.38563
+   3   0   0  6  1  o          8.5505        8.3281  180.00   1.38563
+   3   1   0 24  1  o          7.7765        7.5977    0.00   1.31452
+   3   1   1 24  1  o          0.2956        0.2936    0.00   1.25335
+   2   2   2  8  1  o          5.5171        5.5978  180.00   1.19999
+   3   2   0 24  1  o          0.2499        0.2729  180.00   1.15291
+   3   2   1 48  1  o          0.1573        0.1484    0.00   1.11097
+   4   0   0  6  1  o         14.0259       14.0985    0.00   1.03922
+   3   2   2 24  1  o          3.3979        3.2715    0.00   1.00819
+   4   1   0 24  1  o          0.2676        0.2576  180.00   1.00819
+   4   1   1 24  1  o          0.1326        0.1288    0.00   0.97979
+   3   3   0 12  1  o         17.7572       17.2540    0.00   0.97979
+   3   3   1 24  1  o          0.9079        0.8523  180.00   0.95365
+   4   2   0 24  1  o          1.9252        1.9630    0.00   0.92951
+   4   2   1 48  1  o          3.2476        3.2671    0.00   0.90711
+   3   3   2 24  1  o          3.3003        3.2594    0.00   0.88625
+   4   2   2 24  1  o          0.8739        0.8471  180.00   0.84852
+   4   3   0 24  1  o          3.7637        3.7754  180.00   0.83138
+   5   0   0  6  1  o          0.2732        0.2740  180.00   0.83138
+ 
+# The following lines are used to test the character set of files sent by     
+# network email or other means. They are not part of the CIF data set.        
+# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789              
+# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./ 
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_prof.cif b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_prof.cif
new file mode 100644
index 000000000..e7b11acce
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_noAbs_prof.cif
@@ -0,0 +1,3277 @@
+ 
+#==============================================
+# Powder diffraction pattern number   1
+#==============================================
+#      Date: 09/06/2026  Time: 12:42:01.461
+ 
+data_ECH0030684_LaB6_1p622A_noAbs
+_audit_creation_date  09/06/2026  
+_audit_creation_method  "FullProf Suite"
+ 
+_pd_block_id    ECH0030684_LaB6_1p622A_noAbs
+#==============================================================================             
+# 9. INSTRUMENT CHARACTERIZATION                                                            
+                                                                                            
+_exptl_special_details                                                                      
+; ?                                                                                         
+;                                                                                           
+                                                                                            
+# if regions of the data are excluded, the reason(s) are supplied here:                     
+_pd_proc_info_excluded_regions                                                              
+; ?                                                                                         
+;                                                                                           
+                                                                                            
+# The following item is used to identify the equipment used to record                       
+# the powder pattern when the diffractogram was measured at a laboratory                    
+# other than the authors' home institution, e.g. when neutron or synchrotron                
+# radiation is used.                                                                        
+                                                                                            
+_pd_instr_location                                                                          
+; ?                                                                                         
+;                                                                                           
+_pd_calibration_special_details           # description of the method used                  
+                                          # to calibrate the instrument                     
+; ?                                                                                         
+;                                                                                           
+                                                                                            
+_diffrn_ambient_temperature    ?                                                            
+_diffrn_source                 ?                                                            
+_diffrn_source_target          ?                                                            
+_diffrn_source_type            ?                                                            
+_diffrn_measurement_device_type?                                                            
+_diffrn_detector               ?                                                            
+_diffrn_detector_type          ?  # make or model of detector                               
+                                                                                            
+_pd_meas_scan_method           ?  # options are 'step', 'cont',                             
+                                  # 'tof', 'fixed' or                                       
+                                  # 'disp' (= dispersive)                                   
+_pd_meas_special_details                                                                    
+;  ?                                                                                        
+;                                                                                           
+                                                                                            
+# The following two items identify the program(s) used (if appropriate).                    
+_computing_data_collection        ?                                                         
+_computing_data_reduction         ?                                                         
+                                                                                            
+# Describe any processing performed on the data, prior to refinement.                       
+# For example: a manual Lp correction or a precomputed absorption correction                
+_pd_proc_info_data_reduction      ?                                                         
+                                                                                            
+# The following item is used for angular dispersive measurements only.                      
+                                                                                            
+_diffrn_radiation_monochromator   ?                                                         
+                                                                                            
+# The following items are used to define the size of the instrument.                        
+# Not all distances are appropriate for all instrument types.                               
+                                                                                            
+_pd_instr_dist_src/mono           ?                                                         
+_pd_instr_dist_mono/spec          ?                                                         
+_pd_instr_dist_src/spec           ?                                                         
+_pd_instr_dist_spec/anal          ?                                                         
+_pd_instr_dist_anal/detc          ?                                                         
+_pd_instr_dist_spec/detc          ?                                                         
+                                                                                            
+# 10. Specimen size and mounting information                                                
+                                                                                            
+# The next three fields give the specimen dimensions in mm.  The equatorial                 
+# plane contains the incident and diffracted beam.                                          
+                                                                                            
+_pd_spec_size_axial               ?       # perpendicular to                                
+                                          # equatorial plane                                
+                                                                                            
+_pd_spec_size_equat               ?       # parallel to                                     
+                                          # scattering vector                               
+                                          # in transmission                                 
+                                                                                            
+_pd_spec_size_thick               ?       # parallel to                                     
+                                          # scattering vector                               
+                                          # in reflection                                   
+                                                                                            
+_pd_spec_mounting                         # This field should be                            
+                                          # used to give details of the                     
+                                          # container.                                      
+; ?                                                                                         
+;                                                                                           
+                                                                                            
+_pd_spec_mount_mode               ?       # options are 'reflection'                        
+                                          # or 'transmission'                               
+                                                                                            
+_pd_spec_shape                    ?       # options are 'cylinder'                          
+                                          # 'flat_sheet' or 'irregular'                     
+                                                                                            
+     
+_diffrn_radiation_probe                neutrons 
+_diffrn_radiation_wavelength            1.6225
+     
+#  The following profile R-factors are NOT CORRECTED for background
+#  The sum is extended to all non-excluded points.
+#  These are the current CIF standard
+ 
+_pd_proc_ls_prof_R_factor                6.1208
+_pd_proc_ls_prof_wR_factor               8.1933
+_pd_proc_ls_prof_wR_expected             2.7567
+ 
+#  The following profile R-factors are CORRECTED for background
+#  The sum is extended to all non-excluded points.
+#  These items are not in the current CIF standard, but are defined above
+ 
+_pd_proc_ls_prof_cR_factor               12.1533
+_pd_proc_ls_prof_cwR_factor              13.9377
+_pd_proc_ls_prof_cwR_expected             4.6895
+ 
+#  The following items are not in the CIF standard, but are defined above
+ 
+_pd_proc_ls_prof_chi2                 8.8334
+_pd_proc_ls_prof_echi2                9.0588
+  
+_pd_proc_ls_background_function   
+;   FullProf Background function number  
+;                                                                              
+                                                                               
+_exptl_absorpt_process_details                                                 
+;   FullProf Absorption/surface roughness correction    
+ No correction is applied ?.                                                   
+;                                                                              
+                                                                               
+_pd_proc_ls_profile_function                                                   
+;                                                                              
+;                                                                              
+_pd_proc_ls_peak_cutoff 0.00500                                                
+_pd_calc_method  "   Rietveld Refinement" 
+                                                                               
+#---- raw/calc data loop -----   
+_pd_meas_2theta_range_min       4.164220
+_pd_meas_2theta_range_max     163.756378
+_pd_meas_2theta_range_inc       0.049998
+_pd_proc_2theta_range_min       4.375700
+_pd_proc_2theta_range_max     163.967865
+_pd_proc_2theta_range_inc       0.049998
+ 
+loop_
+_pd_proc_point_id
+_pd_proc_2theta_corrected   
+_pd_proc_intensity_total
+_pd_calc_intensity_total
+_pd_proc_intensity_bkg_calc
+ 
+   118    10.2315    781(29)           748.7682          748.7682                                                                   
+   119    10.2814    839(30)           749.0415          749.0415                                                                   
+   120    10.3365    805(32)           749.3422          749.3422                                                                   
+   121    10.3866    737(30)           749.6147          749.6147                                                                   
+   122    10.4366    815(32)           749.8861          749.8861                                                                   
+   123    10.4867    794(31)           750.1567          750.1567                                                                   
+   124    10.5367    818(32)           750.4256          750.4256                                                                   
+   125    10.5867    771(31)           750.6936          750.6936                                                                   
+   126    10.6367    804(31)           750.9611          750.9611                                                                   
+   127    10.6868    727(30)           751.2277          751.2277                                                                   
+   128    10.7368    752(30)           751.4933          751.4933                                                                   
+   129    10.7866    764(30)           751.7570          751.7570                                                                   
+   130    10.8367    802(31)           752.0205          752.0205                                                                   
+   131    10.8868    753(31)           752.2836          752.2836                                                                   
+   132    10.9366    794(31)           752.5447          752.5447                                                                   
+   133    10.9867    777(31)           752.8055          752.8055                                                                   
+   134    11.0366    791(31)           753.0651          753.0651                                                                   
+   135    11.0865    789(31)           753.3236          753.3236                                                                   
+   136    11.1364    785(31)           753.5812          753.5812                                                                   
+   137    11.1864    775(31)           753.8381          753.8381                                                                   
+   138    11.2365    754(30)           754.0945          754.0945                                                                   
+   139    11.2864    787(31)           754.3494          754.3494                                                                   
+   140    11.3364    813(32)           754.6035          754.6035                                                                   
+   141    11.3861    714(30)           754.8557          754.8557                                                                   
+   142    11.4362    731(30)           755.1088          755.1088                                                                   
+   143    11.4863    726(30)           755.3607          755.3607                                                                   
+   144    11.5362    779(31)           755.6109          755.6109                                                                   
+   145    11.5859    762(29)           755.8594          755.8594                                                                   
+   146    11.6360    760(29)           756.1089          756.1089                                                                   
+   147    11.6861    803(30)           756.3572          756.3572                                                                   
+   148    11.7362    756(29)           756.6048          756.6048                                                                   
+   149    11.7861    768(29)           756.8508          756.8508                                                                   
+   150    11.8361    790(30)           757.0959          757.0959                                                                   
+   151    11.8862    734(28)           757.3406          757.3406                                                                   
+   152    11.9362    784(29)           757.5844          757.5844                                                                   
+   153    11.9862    725(28)           757.8273          757.8273                                                                   
+   154    12.0361    779(29)           758.0684          758.0684                                                                   
+   155    12.0861    753(29)           758.3093          758.3093                                                                   
+   156    12.1362    734(29)           758.5496          758.5496                                                                   
+   157    12.1861    747(29)           758.7881          758.7881                                                                   
+   158    12.2361    766(29)           759.0265          759.0265                                                                   
+   159    12.2860    751(29)           759.2636          759.2636                                                                   
+   160    12.3360    780(29)           759.4998          759.4998                                                                   
+   161    12.3859    762(29)           759.7350          759.7350                                                                   
+   162    12.4359    726(28)           759.9695          759.9695                                                                   
+   163    12.4859    807(30)           760.2035          760.2035                                                                   
+   164    12.5359    746(29)           760.4362          760.4362                                                                   
+   165    12.5858    788(30)           760.6681          760.6681                                                                   
+   166    12.6356    726(28)           760.8983          760.8983                                                                   
+   167    12.6856    762(29)           761.1291          761.1291                                                                   
+   168    12.7357    769(29)           761.3589          761.3589                                                                   
+   169    12.7856    786(29)           761.5870          761.5870                                                                   
+   170    12.8250    764(28)           761.7662          761.7662                                                                   
+   171    12.8751    727(27)           761.9939          761.9939                                                                   
+   172    12.9251    747(28)           762.2204          762.2204                                                                   
+   173    12.9752    786(28)           762.4463          762.4463                                                                   
+   174    13.0252    766(28)           762.6705          762.6705                                                                   
+   175    13.0751    777(28)           762.8941          762.8941                                                                   
+   176    13.1252    737(28)           763.1172          763.1172                                                                   
+   177    13.1752    728(27)           763.3394          763.3394                                                                   
+   178    13.2253    757(28)           763.5605          763.5605                                                                   
+   179    13.2751    782(28)           763.7803          763.7803                                                                   
+   180    13.3252    764(28)           763.9998          763.9998                                                                   
+   181    13.3752    733(27)           764.2188          764.2188                                                                   
+   182    13.4251    746(28)           764.4359          764.4359                                                                   
+   183    13.4751    760(28)           764.6528          764.6528                                                                   
+   184    13.5251    784(28)           764.8687          764.8687                                                                   
+   185    13.5750    741(27)           765.0836          765.0836                                                                   
+   186    13.6249    734(27)           765.2977          765.2977                                                                   
+   187    13.6749    775(28)           765.5111          765.5111                                                                   
+   188    13.7249    759(28)           765.7239          765.7239                                                                   
+   189    13.7749    754(28)           765.9357          765.9357                                                                   
+   190    13.8248    701(27)           766.1464          766.1464                                                                   
+   191    13.8746    778(28)           766.3557          766.3557                                                                   
+   192    13.9247    740(28)           766.5654          766.5654                                                                   
+   193    13.9748    722(27)           766.7742          766.7742                                                                   
+   194    14.0247    779(28)           766.9816          766.9816                                                                   
+   195    14.0794    740(28)           767.2081          767.2081                                                                   
+   196    14.1295    739(28)           767.4146          767.4146                                                                   
+   197    14.1796    785(29)           767.6201          767.6201                                                                   
+   198    14.2297    756(29)           767.8249          767.8249                                                                   
+   199    14.2796    733(28)           768.0282          768.0282                                                                   
+   200    14.3296    725(28)           768.2309          768.2309                                                                   
+   201    14.3797    755(29)           768.4331          768.4331                                                                   
+   202    14.4297    765(29)           768.6344          768.6344                                                                   
+   203    14.4797    801(29)           768.8349          768.8349                                                                   
+   204    14.5296    805(29)           769.0338          769.0338                                                                   
+   205    14.5796    756(29)           769.2325          769.2325                                                                   
+   206    14.6297    766(29)           770.8388          769.4308                                                                   
+   207    14.6796    781(29)           771.0541          769.6274                                                                   
+   208    14.7296    741(28)           771.2697          769.8239                                                                   
+   209    14.7795    730(28)           771.4843          770.0190                                                                   
+   210    14.8295    750(28)           771.6987          770.2136                                                                   
+   211    14.8794    760(29)           771.9125          770.4071                                                                   
+   212    14.9293    759(29)           772.1262          770.6001                                                                   
+   213    14.9794    777(29)           772.3398          770.7927                                                                   
+   214    15.0293    741(28)           772.5527          770.9840                                                                   
+   215    15.0793    738(28)           772.7652          771.1744                                                                   
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+   218    15.2292    797(29)           773.4014          771.7417                                                                   
+   219    15.2791    744(28)           773.6124          771.9288                                                                   
+   220    15.3354    724(27)           773.8505          772.1393                                                                   
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+   222    15.4356    796(28)           774.2732          772.5110                                                                   
+   223    15.4857    748(27)           774.4843          772.6958                                                                   
+   224    15.5357    746(27)           774.6945          772.8792                                                                   
+   225    15.5856    743(27)           774.9047          773.0620                                                                   
+   226    15.6357    773(28)           775.1150          773.2441                                                                   
+   227    15.6857    766(28)           775.3253          773.4257                                                                   
+   228    15.7358    700(26)           775.5353          773.6062                                                                   
+   229    15.7856    732(27)           775.7444          773.7854                                                                   
+   230    15.8356    769(28)           775.9543          773.9645                                                                   
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+   232    15.9356    770(28)           776.3737          774.3199                                                                   
+   233    15.9856    743(27)           776.5836          774.4968                                                                   
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+   236    16.1354    720(27)           777.2124          775.0215                                                                   
+   237    16.1854    775(28)           777.4225          775.1951                                                                   
+   238    16.2354    733(27)           777.6328          775.3680                                                                   
+   239    16.2854    724(27)           777.8433          775.5401                                                                   
+   240    16.3353    763(28)           778.0537          775.7112                                                                   
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+   242    16.4352    747(27)           778.4755          776.0513                                                                   
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+   244    16.5351    752(27)           778.8992          776.3888                                                                   
+   245    16.5695    796(29)           779.0452          776.5041                                                                   
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+   247    16.6697    784(29)           779.4720          776.8383                                                                   
+   248    16.7198    785(29)           779.6863          777.0042                                                                   
+   249    16.7698    787(29)           779.9007          777.1690                                                                   
+   250    16.8197    742(28)           780.1156          777.3330                                                                   
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+   256    17.1198    761(28)           781.4240          778.3031                                                                   
+   257    17.1697    704(27)           781.6450          778.4619                                                                   
+   258    17.2197    727(28)           781.8676          778.6202                                                                   
+   259    17.2697    770(28)           782.0912          778.7776                                                                   
+   260    17.3196    762(28)           782.3162          778.9344                                                                   
+   261    17.3695    783(29)           782.5424          779.0903                                                                   
+   262    17.4195    803(29)           782.7704          779.2457                                                                   
+   263    17.4695    688(27)           783.0004          779.4005                                                                   
+   264    17.5195    773(29)           783.2316          779.5544                                                                   
+   265    17.5694    786(29)           783.4648          779.7076                                                                   
+   266    17.6192    792(29)           783.6990          779.8595                                                                   
+   267    17.6693    805(29)           783.9366          780.0116                                                                   
+   268    17.7193    740(28)           784.1765          780.1630                                                                   
+   269    17.7692    787(29)           784.4180          780.3132                                                                   
+   270    17.8064    771(28)           784.5995          780.4247                                                                   
+   271    17.8565    774(28)           784.8462          780.5742                                                                   
+   272    17.9066    763(28)           785.0957          780.7230                                                                   
+   273    17.9567    780(28)           785.3482          780.8711                                                                   
+   274    18.0066    821(29)           785.6031          781.0181                                                                   
+   275    18.0566    790(29)           785.8613          781.1644                                                                   
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+   277    18.1567    765(28)           786.3893          781.4554                                                                   
+   278    18.2068    779(28)           786.6592          781.6000                                                                   
+   279    18.2566    769(28)           786.9321          781.7432                                                                   
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+   281    18.3567    785(29)           787.4940          782.0288                                                                   
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+   284    18.5066    785(29)           788.3735          782.4510                                                                   
+   285    18.5565    724(27)           788.6782          782.5904                                                                   
+   286    18.6064    753(28)           788.9893          782.7290                                                                   
+   287    18.6564    757(28)           789.3075          782.8671                                                                   
+   288    18.7064    734(28)           789.6337          783.0047                                                                   
+   289    18.7564    770(28)           789.9671          783.1414                                                                   
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+   291    18.8561    808(29)           790.6582          783.4121                                                                   
+   292    18.9062    773(28)           791.0195          783.5472                                                                   
+   293    18.9562    797(29)           791.3909          783.6815                                                                   
+   294    19.0061    763(28)           791.7722          783.8147                                                                   
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+   299    19.2515    786(29)           793.8359          784.4598                                                                   
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+   306    19.6016    783(29)           797.5475          785.3527                                                                   
+   307    19.6514    776(29)           798.1810          785.4772                                                                   
+   308    19.7014    775(29)           798.8518          785.6016                                                                   
+   309    19.7514    774(29)           799.5622          785.7250                                                                   
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+   311    19.8513    792(30)           801.1346          785.9700                                                                   
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+   318    20.2011    790(29)           811.2940          786.8078                                                                   
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+   327    20.6674    1064(37)           914.9242          787.8765                                                                  
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+   331    20.8674    1082(37)          1061.4254          788.3182                                                                  
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+   333    20.9673    1180(39)          1168.5149          788.5351                                                                  
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+   341    21.3668    1804(49)          1842.2649          789.3782                                                                  
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+   381    23.3737    968(34)           932.0972          793.0471                                                                   
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+   385    23.5735    889(33)           852.4064          793.3627                                                                   
+   386    23.6234    894(33)           845.4114          793.4402                                                                   
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+   420    25.3269    801(34)           806.4348          795.7723                                                                   
+   421    25.3770    786(33)           806.2272          795.8320                                                                   
+   422    25.4271    793(33)           806.0339          795.8911                                                                   
+   423    25.4772    819(35)           805.8539          795.9498                                                                   
+   424    25.5272    797(34)           805.6870          796.0078                                                                   
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+   443    26.4767    794(33)           804.1794          797.0194                                                                   
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+   445    26.5891    804(29)           804.1492          797.1278                                                                   
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+   448    26.7393    823(30)           804.1447          797.2693                                                                   
+   449    26.7893    823(30)           804.1519          797.3154                                                                   
+   450    26.8393    827(30)           804.1632          797.3611                                                                   
+   451    26.8893    815(29)           804.1787          797.4064                                                                   
+   452    26.9394    810(29)           804.1983          797.4512                                                                   
+   453    26.9894    764(28)           804.2219          797.4956                                                                   
+   454    27.0393    820(30)           804.2494          797.5394                                                                   
+   455    27.0893    885(31)           804.2809          797.5828                                                                   
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+   457    27.1892    786(29)           804.3556          797.6683                                                                   
+   458    27.2393    794(29)           804.3989          797.7103                                                                   
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+   462    27.4390    789(29)           804.6113          797.8741                                                                   
+   463    27.4891    803(29)           804.6746          797.9141                                                                   
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+   467    27.6888    807(29)           804.9692          798.0691                                                                   
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+   475    28.0951    850(33)           805.7993          798.3631                                                                   
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+   479    28.2951    825(32)           806.3440          798.4976                                                                   
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+   482    28.4450    807(32)           806.8250          798.5941                                                                   
+   483    28.4950    831(33)           807.0010          798.6254                                                                   
+   484    28.5450    874(33)           807.1854          798.6562                                                                   
+   485    28.5949    886(34)           807.3786          798.6867                                                                   
+   486    28.6449    843(33)           807.5815          798.7169                                                                   
+   487    28.6948    865(33)           807.7944          798.7465                                                                   
+   488    28.7448    826(32)           808.0184          798.7758                                                                   
+   489    28.7948    880(33)           808.2534          798.8046                                                                   
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+   560    32.3130    5204(92)          5116.1025          799.8907                                                                  
+   561    32.3629    4630(86)          4398.6084          799.8937                                                                  
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+   723    40.4841    849(29)           890.0795          796.9269                                                                   
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+   733    40.9840    838(28)           833.6381          796.5720                                                                   
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+   738    41.2338    835(28)           824.8369          796.3893                                                                   
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+   993    53.9982    779(30)           795.7158          784.9598                                                                   
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+  1010    54.8316    792(29)           795.0518          784.2333                                                                   
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+  1013    54.9815    808(30)           795.6060          784.1047                                                                   
+  1014    55.0314    789(29)           795.8492          784.0620                                                                   
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+  1286    68.6075    751(30)           811.1969          777.0636                                                                   
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+  1523    80.4321    1091(32)          1091.9978          782.1918                                                                  
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+  1551    81.8285    783(27)           799.0624          783.6234                                                                   
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+  1554    81.9785    791(27)           798.0656          783.7876                                                                   
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+  1571    82.8310    798(26)           794.2135          784.7603                                                                   
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+  1574    82.9812    849(27)           795.3079          784.9384                                                                   
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+  1581    83.3312    943(28)           799.1226          785.3616                                                                   
+  1582    83.3811    961(29)           799.8603          785.4229                                                                   
+  1583    83.4311    1019(29)           800.6637          785.4845                                                                  
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+  1855    97.0168    807(28)           810.6928          810.0105                                                                   
+  1856    97.0668    785(28)           810.7875          810.1266                                                                   
+  1857    97.1167    828(29)           810.8830          810.2423                                                                   
+  1858    97.1667    837(29)           810.9798          810.3586                                                                   
+  1859    97.2167    808(28)           811.0775          810.4749                                                                   
+  1860    97.2666    787(28)           811.1762          810.5912                                                                   
+  1861    97.3166    803(28)           811.2757          810.7077                                                                   
+  1862    97.3665    781(28)           811.3762          810.8245                                                                   
+  1863    97.4165    753(27)           811.4778          810.9416                                                                   
+  1864    97.4665    748(27)           811.5798          811.0585                                                                   
+  1865    97.5164    798(28)           811.6828          811.1758                                                                   
+  1866    97.5662    744(27)           811.7860          811.2927                                                                   
+  1867    97.6163    796(28)           815.0178          811.4104                                                                   
+  1868    97.6664    789(28)           815.1848          811.5283                                                                   
+  1869    97.7163    795(28)           815.3538          811.6460                                                                   
+  1870    97.7766    762(26)           815.5614          811.7884                                                                   
+  1871    97.8267    777(26)           815.7369          811.9070                                                                   
+  1872    97.8767    810(27)           815.9148          812.0255                                                                   
+  1873    97.9268    755(26)           816.0956          812.1443                                                                   
+  1874    97.9768    793(26)           816.2786          812.2629                                                                   
+  1875    98.0267    771(26)           816.4646          812.3817                                                                   
+  1876    98.0768    793(26)           816.6539          812.5008                                                                   
+  1877    98.1268    701(25)           816.8462          812.6200                                                                   
+  1878    98.1769    745(26)           817.0416          812.7394                                                                   
+  1879    98.2267    830(27)           817.2396          812.8585                                                                   
+  1880    98.2768    760(26)           817.4417          812.9782                                                                   
+  1881    98.3268    805(27)           817.6474          813.0981                                                                   
+  1882    98.3767    775(26)           817.8560          813.2177                                                                   
+  1883    98.4267    797(26)           818.0687          813.3377                                                                   
+  1884    98.4767    805(27)           818.2853          813.4578                                                                   
+  1885    98.5266    798(27)           818.5058          813.5780                                                                   
+  1886    98.5765    784(26)           818.7304          813.6983                                                                   
+  1887    98.6265    876(28)           818.9595          813.8187                                                                   
+  1888    98.6765    783(26)           819.1937          813.9396                                                                   
+  1889    98.7265    783(26)           819.4324          814.0605                                                                   
+  1890    98.7764    797(27)           819.6759          814.1814                                                                   
+  1891    98.8262    823(27)           819.9238          814.3020                                                                   
+  1892    98.8763    824(27)           820.1787          814.4236                                                                   
+  1893    98.9263    785(26)           820.4393          814.5452                                                                   
+  1894    98.9762    798(27)           820.7051          814.6665                                                                   
+  1895    99.0454    794(28)           821.0842          814.8351                                                                   
+  1896    99.0956    744(27)           821.3668          814.9573                                                                   
+  1897    99.1456    806(28)           821.6565          815.0797                                                                   
+  1898    99.1957    834(29)           821.9537          815.2021                                                                   
+  1899    99.2457    859(29)           822.2581          815.3243                                                                   
+  1900    99.2956    861(29)           822.5710          815.4468                                                                   
+  1901    99.3457    822(29)           822.8933          815.5696                                                                   
+  1902    99.3957    780(28)           823.2249          815.6924                                                                   
+  1903    99.4458    790(28)           823.3508          815.8155                                                                   
+  1904    99.4956    773(28)           823.7054          815.9382                                                                   
+  1905    99.5456    833(29)           824.0721          816.0615                                                                   
+  1906    99.5957    792(28)           824.4512          816.1850                                                                   
+  1907    99.6456    800(28)           824.8411          816.3081                                                                   
+  1908    99.6956    837(29)           825.2455          816.4318                                                                   
+  1909    99.7456    803(28)           825.6635          816.5554                                                                   
+  1910    99.7955    848(29)           826.0963          816.6791                                                                   
+  1911    99.8454    782(28)           826.5453          816.8030                                                                   
+  1912    99.8954    764(28)           827.0117          816.9269                                                                   
+  1913    99.9454    810(28)           827.4976          817.0514                                                                   
+  1914    99.9954    829(29)           828.0025          817.1758                                                                   
+  1915   100.0453    834(29)           828.5283          817.3001                                                                   
+  1916   100.0951    777(28)           829.0753          817.4243                                                                   
+  1917   100.1452    808(28)           829.6501          817.5492                                                                   
+  1918   100.1953    770(28)           830.2514          817.6743                                                                   
+  1919   100.2451    860(29)           830.8793          817.7991                                                                   
+  1920   100.2921    798(31)           831.4979          817.9166                                                                   
+  1921   100.3422    771(31)           832.1910          818.0421                                                                   
+  1922   100.3923    802(32)           832.9200          818.1678                                                                   
+  1923   100.4424    812(32)           833.6888          818.2936                                                                   
+  1924   100.4923    835(32)           834.4984          818.4193                                                                   
+  1925   100.5423    755(30)           835.3544          818.5449                                                                   
+  1926   100.5923    810(31)           836.2631          818.6711                                                                   
+  1927   100.6424    808(31)           837.2275          818.7973                                                                   
+  1928   100.6924    808(31)           838.2529          818.9235                                                                   
+  1929   100.7423    767(30)           839.3417          819.0495                                                                   
+  1930   100.7923    829(32)           840.5079          819.1760                                                                   
+  1931   100.8424    788(31)           841.7577          819.3029                                                                   
+  1932   100.8923    802(31)           843.0923          819.4291                                                                   
+  1933   100.9423    765(30)           844.5312          819.5560                                                                   
+  1934   100.9922    814(31)           846.0800          819.6829                                                                   
+  1935   101.0422    799(31)           847.7524          819.8098                                                                   
+  1936   101.0921    823(32)           849.5634          819.9368                                                                   
+  1937   101.1420    812(31)           851.5318          820.0639                                                                   
+  1938   101.1921    811(31)           853.6805          820.1915                                                                   
+  1939   101.2420    814(31)           856.0250          820.3189                                                                   
+  1940   101.2920    835(32)           858.5955          820.4465                                                                   
+  1941   101.3418    859(32)           861.4130          820.5737                                                                   
+  1942   101.3918    802(31)           864.5432          820.7018                                                                   
+  1943   101.4419    801(31)           868.0126          820.8300                                                                   
+  1944   101.4918    811(31)           871.8629          820.9579                                                                   
+  1945   101.5368    865(31)           875.7252          821.0734                                                                   
+  1946   101.5869    849(30)           880.5238          821.2020                                                                   
+  1947   101.6370    927(31)           885.9366          821.3306                                                                   
+  1948   101.6871    863(31)           892.0836          821.4595                                                                   
+  1949   101.7371    889(31)           899.0765          821.5881                                                                   
+  1950   101.7870    903(31)           907.1102          821.7169                                                                   
+  1951   101.8371    878(31)           916.4349          821.8459                                                                   
+  1952   101.8871    887(31)           927.3542          821.9751                                                                   
+  1953   101.9372    956(32)           940.3929          822.1044                                                                   
+  1954   101.9870    915(31)           956.4215          822.2332                                                                   
+  1955   102.0370    1007(33)           977.3988          822.3627                                                                  
+  1956   102.0871    946(32)          1007.1544          822.4924                                                                   
+  1957   102.1370    949(32)          1053.1760          822.6217                                                                   
+  1958   102.1870    984(33)          1130.3010          822.7515                                                                   
+  1959   102.2370    1016(33)          1263.4843          822.8812                                                                  
+  1960   102.2869    1107(35)          1491.9044          823.0109                                                                  
+  1961   102.3368    1481(40)          1872.5977          823.1407                                                                  
+  1962   102.3868    2040(49)          2460.3494          823.2708                                                                  
+  1963   102.4368    3116(60)          3313.7043          823.4012                                                                  
+  1964   102.4868    4820(78)          4451.4102          823.5314                                                                  
+  1965   102.5367    6815(95)          5834.4507          823.6617                                                                  
+  1966   102.5865    8309(108)          7339.2842          823.7917                                                                 
+  1967   102.6366    9565(118)          8778.7441          823.9226                                                                 
+  1968   102.6866    9825(120)          9879.0264          824.0535                                                                 
+  1969   102.7365    9957(121)         10384.5547          824.1842                                                                 
+  1970   102.7820    9453(112)         10216.2637          824.3034                                                                 
+  1971   102.8321    8475(104)          9388.5605          824.4347                                                                 
+  1972   102.8822    7204(94)          8094.3027          824.5662                                                                  
+  1973   102.9323    6120(85)          6597.6538          824.6976                                                                  
+  1974   102.9822    4776(74)          5138.7129          824.8289                                                                  
+  1975   103.0322    3862(66)          3873.0884          824.9603                                                                  
+  1976   103.0823    3108(58)          2877.1892          825.0920                                                                  
+  1977   103.1323    2539(52)          2159.8364          825.2239                                                                  
+  1978   103.1824    2119(47)          1680.8984          825.3558                                                                  
+  1979   103.2322    1656(42)          1382.1577          825.4873                                                                  
+  1980   103.2822    1467(39)          1203.4462          825.6193                                                                  
+  1981   103.3323    1223(35)          1099.5981          825.7516                                                                  
+  1982   103.3822    1081(33)          1039.0238          825.8835                                                                  
+  1983   103.4322    1063(33)          1001.6553          826.0159                                                                  
+  1984   103.4822    915(30)           976.7893          826.1481                                                                   
+  1985   103.5321    985(31)           958.7050          826.2804                                                                   
+  1986   103.5820    962(31)           944.5891          826.4128                                                                   
+  1987   103.6320    954(31)           933.0532          826.5452                                                                   
+  1988   103.6820    892(30)           923.3653          826.6782                                                                   
+  1989   103.7320    907(30)           915.1362          826.8109                                                                   
+  1990   103.7819    854(29)           908.0759          826.9437                                                                   
+  1991   103.8317    891(30)           901.9935          827.0761                                                                   
+  1992   103.8818    903(30)           896.6818          827.2095                                                                   
+  1993   103.9318    872(30)           892.0554          827.3428                                                                   
+  1994   103.9817    852(29)           888.0239          827.4759                                                                   
+  1995   104.0286    866(33)           884.6929          827.6008                                                                   
+  1996   104.0787    883(33)           881.5488          827.7346                                                                   
+  1997   104.1287    904(33)           878.7853          827.8683                                                                   
+  1998   104.1788    871(33)           876.3509          828.0023                                                                   
+  1999   104.2288    928(34)           874.2131          828.1359                                                                   
+  2000   104.2788    884(33)           872.3308          828.2697                                                                   
+  2001   104.3288    919(34)           870.6735          828.4037                                                                   
+  2002   104.3789    890(33)           869.2212          828.5378                                                                   
+  2003   104.4289    875(33)           867.9533          828.6720                                                                   
+  2004   104.4788    868(33)           866.8563          828.8057                                                                   
+  2005   104.5288    925(34)           865.9084          828.9401                                                                   
+  2006   104.5789    822(32)           865.0993          829.0746                                                                   
+  2007   104.6287    882(33)           864.4231          829.2087                                                                   
+  2008   104.6787    877(33)           863.8658          829.3433                                                                   
+  2009   104.7287    866(33)           863.4226          829.4777                                                                   
+  2010   104.7786    895(33)           863.0873          829.6122                                                                   
+  2011   104.8286    915(34)           862.8547          829.7467                                                                   
+  2012   104.8785    896(33)           862.7212          829.8815                                                                   
+  2013   104.9286    856(32)           862.6839          830.0164                                                                   
+  2014   104.9785    873(33)           862.7417          830.1513                                                                   
+  2015   105.0285    890(33)           862.8933          830.2863                                                                   
+  2016   105.0782    914(34)           863.1378          830.4207                                                                   
+  2017   105.1283    920(34)           863.4789          830.5562                                                                   
+  2018   105.1784    917(34)           863.9169          830.6915                                                                   
+  2019   105.2283    913(34)           864.4534          830.8267                                                                   
+  2020   105.2673    882(33)           864.9440          830.9323                                                                   
+  2021   105.3174    898(33)           865.6708          831.0681                                                                   
+  2022   105.3674    885(33)           866.5106          831.2038                                                                   
+  2023   105.4175    899(33)           867.4719          831.3398                                                                   
+  2024   105.4675    908(34)           868.5591          831.4753                                                                   
+  2025   105.5174    948(34)           869.7853          831.6111                                                                   
+  2026   105.5675    866(33)           871.1658          831.7471                                                                   
+  2027   105.6175    890(33)           872.7109          831.8831                                                                   
+  2028   105.6676    905(33)           874.4390          832.0192                                                                   
+  2029   105.7174    884(33)           876.3621          832.1548                                                                   
+  2030   105.7675    939(34)           878.5170          832.2911                                                                   
+  2031   105.8176    930(34)           880.9276          832.4274                                                                   
+  2032   105.8674    950(34)           883.6135          832.5635                                                                   
+  2033   105.9174    903(33)           886.6304          832.6998                                                                   
+  2034   105.9674    973(35)           890.0131          832.8361                                                                   
+  2035   106.0173    979(35)           893.8185          832.9723                                                                   
+  2036   106.0672    963(35)           898.1141          833.1087                                                                   
+  2037   106.1172    999(35)           902.9852          833.2452                                                                   
+  2038   106.1672    994(35)           908.5337          833.3819                                                                   
+  2039   106.2172    1026(36)           914.8685          833.5186                                                                  
+  2040   106.2672    1007(35)           922.1406          833.6552                                                                  
+  2041   106.3169    1024(36)           930.5107          833.7914                                                                  
+  2042   106.3670    1115(37)           940.3104          833.9285                                                                  
+  2043   106.4171    1039(36)           951.8235          834.0657                                                                  
+  2044   106.4670    1134(38)           965.4972          834.2024                                                                  
+  2045   106.5262    1173(36)           985.8005          834.3649                                                                  
+  2046   106.5763    1239(36)          1008.4885          834.5023                                                                  
+  2047   106.6264    1144(35)          1040.2668          834.6397                                                                  
+  2048   106.6765    1042(33)          1089.2610          834.7772                                                                  
+  2049   106.7264    1102(34)          1170.8624          834.9145                                                                  
+  2050   106.7764    1181(35)          1312.7673          835.0518                                                                  
+  2051   106.8265    1274(37)          1559.1483          835.1893                                                                  
+  2052   106.8765    1691(43)          1969.6724          835.3270                                                                  
+  2053   106.9265    2369(51)          2612.5210          835.4646                                                                  
+  2054   106.9764    3600(65)          3540.4236          835.6018                                                                  
+  2055   107.0264    5355(82)          4775.3594          835.7395                                                                  
+  2056   107.0765    7645(101)          6258.7637          835.8775                                                                 
+  2057   107.1264    9275(115)          7830.2432          836.0149                                                                 
+  2058   107.1764    10623(126)          9264.1348          836.1528                                                                
+  2059   107.2263    10744(127)         10233.3105          836.2905                                                                
+  2060   107.2763    10356(124)         10502.3887          836.4282                                                                
+  2061   107.3262    9398(117)         10008.2822          836.5660                                                                 
+  2062   107.3762    7961(105)          8897.1592          836.7039                                                                 
+  2063   107.4262    6724(95)          7431.3057          836.8420                                                                  
+  2064   107.4762    5445(84)          5889.9556          836.9800                                                                  
+  2065   107.5261    4350(74)          4485.4282          837.1180                                                                  
+  2066   107.5759    3521(66)          3343.0105          837.2556                                                                  
+  2067   107.6259    2980(59)          2488.8718          837.3940                                                                  
+  2068   107.6760    2425(53)          1904.5592          837.5325                                                                  
+  2069   107.7259    2042(48)          1532.6106          837.6705                                                                  
+  2070   107.7829    1599(40)          1283.9377          837.8284                                                                  
+  2071   107.8330    1417(38)          1161.4312          837.9671                                                                  
+  2072   107.8831    1235(35)          1086.6096          838.1058                                                                  
+  2073   107.9332    1150(34)          1042.7725          838.2445                                                                  
+  2074   107.9832    1091(33)          1013.9201          838.3829                                                                  
+  2075   108.0331    1045(32)           993.1698          838.5214                                                                  
+  2076   108.0832    1000(31)           977.1384          838.6603                                                                  
+  2077   108.1332    1025(32)           964.1927          838.7991                                                                  
+  2078   108.1833    947(30)           953.4492          838.9378                                                                   
+  2079   108.2331    908(30)           944.4291          839.0762                                                                   
+  2080   108.2831    929(30)           936.7368          839.2150                                                                   
+  2081   108.3332    902(30)           930.1520          839.3540                                                                   
+  2082   108.3831    919(30)           924.5242          839.4926                                                                   
+  2083   108.4331    899(29)           919.6650          839.6313                                                                   
+  2084   108.4831    901(30)           915.4800          839.7701                                                                   
+  2085   108.5330    940(30)           911.8693          839.9090                                                                   
+  2086   108.5829    950(30)           908.7540          840.0477                                                                   
+  2087   108.6329    874(29)           906.0679          840.1865                                                                   
+  2088   108.6829    901(30)           903.7565          840.3257                                                                   
+  2089   108.7329    910(30)           901.7841          840.4647                                                                   
+  2090   108.7828    856(29)           900.1097          840.6035                                                                   
+  2091   108.8326    961(31)           898.7078          840.7421                                                                   
+  2092   108.8827    886(29)           897.5398          840.8814                                                                   
+  2093   108.9327    899(29)           896.5942          841.0208                                                                   
+  2094   108.9827    889(29)           895.8546          841.1597                                                                   
+  2095   109.0199    882(30)           895.4252          841.2635                                                                   
+  2096   109.0700    855(29)           895.0046          841.4031                                                                   
+  2097   109.1201    848(29)           894.7538          841.5425                                                                   
+  2098   109.1702    871(29)           894.6640          841.6821                                                                   
+  2099   109.2202    891(30)           894.7285          841.8212                                                                   
+  2100   109.2701    872(29)           894.9420          841.9605                                                                   
+  2101   109.3202    857(29)           895.3021          842.1000                                                                   
+  2102   109.3702    875(29)           895.8063          842.2395                                                                   
+  2103   109.4203    861(29)           896.4543          842.3791                                                                   
+  2104   109.4701    868(29)           897.2435          842.5180                                                                   
+  2105   109.5201    933(30)           898.1818          842.6576                                                                   
+  2106   109.5702    913(30)           899.2712          842.7972                                                                   
+  2107   109.6201    884(30)           900.5104          842.9364                                                                   
+  2108   109.6701    872(29)           901.9135          843.0759                                                                   
+  2109   109.7201    879(30)           903.4827          843.2152                                                                   
+  2110   109.7700    865(29)           905.2286          843.3546                                                                   
+  2111   109.8199    900(30)           907.1618          843.4940                                                                   
+  2112   109.8699    949(31)           909.2972          843.6334                                                                   
+  2113   109.9199    927(30)           911.6525          843.7731                                                                   
+  2114   109.9699    923(30)           914.2380          843.9125                                                                   
+  2115   110.0198    920(30)           917.0758          844.0519                                                                   
+  2116   110.0696    924(30)           920.1792          844.1909                                                                   
+  2117   110.1197    938(31)           923.6058          844.3307                                                                   
+  2118   110.1697    890(30)           927.3677          844.4706                                                                   
+  2119   110.2196    959(31)           931.4871          844.6098                                                                   
+  2120   110.2662    894(31)           935.7038          844.7400                                                                   
+  2121   110.3163    904(31)           940.6844          844.8798                                                                   
+  2122   110.3664    935(32)           946.1776          845.0197                                                                   
+  2123   110.4165    953(32)           952.2564          845.1597                                                                   
+  2124   110.4665    965(32)           958.9739          845.2993                                                                   
+  2125   110.5164    1039(33)           966.4407          845.4387                                                                  
+  2126   110.5665    1010(33)           974.7804          845.5787                                                                  
+  2127   110.6165    1013(33)           984.1034          845.7183                                                                  
+  2128   110.6666    1030(33)           994.5684          845.8582                                                                  
+  2129   110.7164    1039(33)          1006.3124          845.9975                                                                  
+  2130   110.7664    1076(34)          1019.6503          846.1372                                                                  
+  2131   110.8165    1031(33)          1034.8362          846.2770                                                                  
+  2132   110.8664    1156(35)          1052.1260          846.4164                                                                  
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+  2135   111.0163    1239(37)          1121.9059          846.8351                                                                  
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+  2142   111.3660    1344(38)          1681.7188          847.8118                                                                  
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+  2144   111.4659    1838(45)          2592.5042          848.0909                                                                  
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+  2147   111.6319    8604(116)          8391.9795          848.5541                                                                 
+  2148   111.6819    13608(155)         11772.2266          848.6938                                                                
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+  2384   123.4655    878(30)           915.1919          879.3779                                                                   
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+  2386   123.5653    879(30)           914.4987          879.6019                                                                   
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+  2645   136.5145    941(30)           909.5107          897.6515                                                                   
+  2646   136.5646    981(31)           909.3160          897.6652                                                                   
+  2647   136.6147    989(31)           909.1292          897.6783                                                                   
+  2648   136.6648    925(30)           908.9496          897.6908                                                                   
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+  2652   136.8648    908(29)           908.2993          897.7356                                                                   
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+  2931   150.7922    872(29)           912.3647          873.9072                                                                   
+  2932   150.8421    868(29)           912.7725          873.7062                                                                   
+  2933   150.8921    886(29)           913.2048          873.5037                                                                   
+  2934   150.9421    903(29)           913.6607          873.3004                                                                   
+  2935   150.9920    902(29)           914.1424          873.0962                                                                   
+  2936   151.0419    895(29)           914.6505          872.8911                                                                   
+  2937   151.0919    823(28)           915.1869          872.6848                                                                   
+  2938   151.1419    866(29)           915.7538          872.4771                                                                   
+  2939   151.1919    837(28)           916.3505          872.2688                                                                   
+  2940   151.2418    880(29)           916.9792          872.0596                                                                   
+  2941   151.2916    868(29)           917.6395          871.8502                                                                   
+  2942   151.3417    845(28)           918.3400          871.6384                                                                   
+  2943   151.3917    877(29)           919.0778          871.4257                                                                   
+  2944   151.4416    849(28)           919.8527          871.2126                                                                   
+  2945   151.4963    875(29)           920.7490          870.9783                                                                   
+  2946   151.5464    887(29)           921.6179          870.7623                                                                   
+  2947   151.5965    883(29)           922.5333          870.5454                                                                   
+  2948   151.6465    846(28)           923.4990          870.3276                                                                   
+  2949   151.6965    874(29)           924.5145          870.1091                                                                   
+  2950   151.7465    876(29)           925.5859          869.8898                                                                   
+  2951   151.7965    907(29)           926.7189          869.6689                                                                   
+  2952   151.8466    843(28)           927.9146          869.4471                                                                   
+  2953   151.8966    844(28)           929.1769          869.2243                                                                   
+  2954   151.9465    874(29)           930.5060          869.0013                                                                   
+  2955   151.9965    884(29)           931.9144          868.7766                                                                   
+  2956   152.0466    899(29)           933.4063          868.5506                                                                   
+  2957   152.0964    859(29)           934.9784          868.3244                                                                   
+  2958   152.1465    884(29)           936.6472          868.0966                                                                   
+  2959   152.1964    879(29)           938.4128          867.8680                                                                   
+  2960   152.2464    849(28)           940.2837          867.6387                                                                   
+  2961   152.2963    883(29)           942.2666          867.4081                                                                   
+  2962   152.3462    877(29)           944.3733          867.1765                                                                   
+  2963   152.3963    910(29)           946.6147          866.9435                                                                   
+  2964   152.4462    868(29)           948.9944          866.7100                                                                   
+  2965   152.4962    896(29)           951.5262          866.4752                                                                   
+  2966   152.5459    874(29)           954.2125          866.2401                                                                   
+  2967   152.5960    891(29)           955.7198          866.0029                                                                   
+  2968   152.6461    859(29)           958.8142          865.7645                                                                   
+  2969   152.6960    883(29)           962.1092          865.5258                                                                   
+  2970   152.7537    930(31)           966.2057          865.2484                                                                   
+  2971   152.8038    867(30)           970.0310          865.0065                                                                   
+  2972   152.8539    927(31)           974.1309          864.7639                                                                   
+  2973   152.9040    930(31)           978.5389          864.5199                                                                   
+  2974   152.9539    941(31)           983.2682          864.2757                                                                   
+  2975   153.0039    969(32)           988.3686          864.0302                                                                   
+  2976   153.0540    906(31)           993.8973          863.7833                                                                   
+  2977   153.1040    897(31)           999.8953          863.5355                                                                   
+  2978   153.1541    921(31)          1006.4382          863.2864                                                                   
+  2979   153.2039    919(31)          1013.5864          863.0375                                                                   
+  2980   153.2539    894(30)          1021.5126          862.7864                                                                   
+  2981   153.3040    878(30)          1030.3707          862.5341                                                                   
+  2982   153.3539    921(31)          1040.3352          862.2816                                                                   
+  2983   153.4039    904(31)          1051.7803          862.0275                                                                   
+  2984   153.4539    932(31)          1065.0865          861.7726                                                                   
+  2985   153.5038    909(31)          1080.8320          861.5168                                                                   
+  2986   153.5537    989(32)          1099.7971          861.2599                                                                   
+  2987   153.6037    929(31)          1123.0143          861.0018                                                                   
+  2988   153.6537    928(31)          1151.8835          860.7421                                                                   
+  2989   153.7037    1044(33)          1188.0173          860.4818                                                                  
+  2990   153.7536    1044(33)          1233.5460          860.2205                                                                  
+  2991   153.8034    1029(33)          1290.9006          859.9590                                                                  
+  2992   153.8535    1095(34)          1363.7545          859.6949                                                                  
+  2993   153.9035    1212(36)          1455.3435          859.4297                                                                  
+  2994   153.9534    1331(38)          1569.2410          859.1643                                                                  
+  2995   154.0013    1524(41)          1703.7285          858.9085                                                                  
+  2996   154.0514    1744(43)          1874.9366          858.6400                                                                  
+  2997   154.1015    1963(46)          2081.4417          858.3702                                                                  
+  2998   154.1516    2427(52)          2327.0847          858.0995                                                                  
+  2999   154.2015    2891(57)          2613.8313          857.8284                                                                  
+  3000   154.2515    3271(62)          2944.0234          857.5562                                                                  
+  3001   154.3016    3591(65)          3318.1733          857.2823                                                                  
+  3002   154.3516    4248(72)          3733.7847          857.0073                                                                  
+  3003   154.4016    4713(76)          4186.3350          856.7314                                                                  
+  3004   154.4515    5098(80)          4667.1270          856.4553                                                                  
+  3005   154.5015    5594(84)          5169.7368          856.1771                                                                  
+  3006   154.5516    5818(86)          5680.4980          855.8977                                                                  
+  3007   154.6015    6192(89)          6181.3369          855.6182                                                                  
+  3008   154.6515    6599(92)          6658.0117          855.3368                                                                  
+  3009   154.7014    6976(96)          7089.8906          855.0544                                                                  
+  3010   154.7514    7353(99)          7459.3403          854.7714                                                                  
+  3011   154.8013    7641(101)          7751.3296          854.4870                                                                 
+  3012   154.8513    7776(102)          7955.0825          854.2017                                                                 
+  3013   154.9013    7893(103)          8064.9580          853.9144                                                                 
+  3014   154.9513    7918(104)          8080.4189          853.6266                                                                 
+  3015   155.0012    7875(103)          8006.3252          853.3378                                                                 
+  3016   155.0510    7726(102)          7851.7939          853.0489                                                                 
+  3017   155.1011    7716(102)          7626.3638          852.7568                                                                 
+  3018   155.1511    7527(100)          7344.1084          852.4639                                                                 
+  3019   155.2010    7160(97)          7019.4121          852.1707                                                                  
+  3020   155.2536    6822(93)          6643.9844          851.8608                                                                  
+  3021   155.3037    6701(92)          6265.9995          851.5641                                                                  
+  3022   155.3538    6248(88)          5878.5938          851.2666                                                                  
+  3023   155.4039    5780(84)          5489.8789          850.9678                                                                  
+  3024   155.4538    5381(81)          5108.7261          850.6684                                                                  
+  3025   155.5038    4889(77)          4740.7388          850.3682                                                                  
+  3026   155.5539    4403(72)          4389.9365          850.0660                                                                  
+  3027   155.6039    4144(70)          4060.4102          849.7630                                                                  
+  3028   155.6539    3565(64)          3753.3535          849.4587                                                                  
+  3029   155.7038    3304(62)          3469.8416          849.1543                                                                  
+  3030   155.7538    3130(60)          3207.5542          848.8480                                                                  
+  3031   155.8039    2900(58)          2966.0308          848.5399                                                                  
+  3032   155.8538    2707(55)          2745.8093          848.2322                                                                  
+  3033   155.9038    2511(53)          2544.1294          847.9220                                                                  
+  3034   155.9537    2333(51)          2361.0117          847.6115                                                                  
+  3035   156.0037    2234(50)          2194.8892          847.2997                                                                  
+  3036   156.0536    2066(47)          2044.5769          846.9869                                                                  
+  3037   156.1035    1885(45)          1908.7994          846.6729                                                                  
+  3038   156.1536    1831(44)          1786.3202          846.3569                                                                  
+  3039   156.2036    1703(43)          1676.5779          846.0403                                                                  
+  3040   156.2535    1537(40)          1578.6202          845.7228                                                                  
+  3041   156.3033    1392(38)          1491.8531          845.4052                                                                  
+  3042   156.3533    1404(38)          1414.7130          845.0842                                                                  
+  3043   156.4034    1340(38)          1346.9955          844.7623                                                                  
+  3044   156.4533    1261(36)          1288.0663          844.4402                                                                  
+  3045   156.5022    1178(35)          1237.8589          844.1237                                                                  
+  3046   156.5523    1197(36)          1193.3756          843.7981                                                                  
+  3047   156.6024    1101(34)          1155.1864          843.4715                                                                  
+  3048   156.6525    1090(34)          1122.5176          843.1433                                                                  
+  3049   156.7024    1044(33)          1094.7769          842.8152                                                                  
+  3050   156.7524    1071(34)          1071.1902          842.4857                                                                  
+  3051   156.8024    1022(33)          1051.1299          842.1544                                                                  
+  3052   156.8525    1028(33)          1034.1113          841.8218                                                                  
+  3053   156.9025    979(32)          1019.6489          841.4882                                                                   
+  3054   156.9524    975(32)          1007.3510          841.1546                                                                   
+  3055   157.0024    938(32)           996.7726          840.8187                                                                   
+  3056   157.0525    909(31)           987.6328          840.4813                                                                   
+  3057   157.1024    902(31)           979.7127          840.1439                                                                   
+  3058   157.1524    918(31)           972.7430          839.8046                                                                   
+  3059   157.2023    924(31)           966.5735          839.4644                                                                   
+  3060   157.2523    980(32)           961.0565          839.1229                                                                   
+  3061   157.3022    930(31)           956.0796          838.7805                                                                   
+  3062   157.3521    909(31)           951.5453          838.4367                                                                   
+  3063   157.4022    897(31)           947.3807          838.0910                                                                   
+  3064   157.4521    914(31)           943.5414          837.7446                                                                   
+  3065   157.5021    927(31)           939.9799          837.3972                                                                   
+  3066   157.5518    915(31)           936.6705          837.0499                                                                   
+  3067   157.6019    876(30)           933.5513          836.6989                                                                   
+  3068   157.6520    872(30)           930.6255          836.3470                                                                   
+  3069   157.7019    869(30)           927.8786          835.9950                                                                   
+  3070   157.7405    881(33)           925.8618          835.7220                                                                   
+  3071   157.7906    871(33)           923.3716          835.3664                                                                   
+  3072   157.8407    843(32)           921.0160          835.0098                                                                   
+  3073   157.8908    894(33)           918.7830          834.6516                                                                   
+  3074   157.9407    906(33)           916.6702          834.2934                                                                   
+  3075   157.9907    892(33)           914.6622          833.9337                                                                   
+  3076   158.0407    919(33)           912.7501          833.5724                                                                   
+  3077   158.0908    867(33)           910.9299          833.2097                                                                   
+  3078   158.1408    910(33)           909.1963          832.8458                                                                   
+  3079   158.1907    833(32)           907.5494          832.4822                                                                   
+  3080   158.2407    873(33)           905.9723          832.1160                                                                   
+  3081   158.2908    881(33)           904.4643          831.7480                                                                   
+  3082   158.3407    910(34)           903.0289          831.3804                                                                   
+  3083   158.3907    835(32)           901.6523          831.0105                                                                   
+  3084   158.4406    888(33)           900.3366          830.6398                                                                   
+  3085   158.4906    869(33)           899.0775          830.2681                                                                   
+  3086   158.5405    852(32)           897.8711          829.8950                                                                   
+  3087   158.5904    897(33)           896.7139          829.5206                                                                   
+  3088   158.6405    904(33)           895.6025          829.1443                                                                   
+  3089   158.6904    899(33)           894.5377          828.7673                                                                   
+  3090   158.7404    975(35)           893.5157          828.3890                                                                   
+  3091   158.7901    887(33)           892.5378          828.0110                                                                   
+  3092   158.8402    888(33)           891.5922          827.6291                                                                   
+  3093   158.8903    895(33)           890.6844          827.2463                                                                   
+  3094   158.9402    888(33)           889.8143          826.8634                                                                   
+  3095   158.9943    933(35)           888.9093          826.4470                                                                   
+  3096   159.0444    921(35)           888.1043          826.0598                                                                   
+  3097   159.0945    859(33)           887.3307          825.6716                                                                   
+  3098   159.1446    874(34)           886.5862          825.2820                                                                   
+  3099   159.1945    898(34)           885.8720          824.8921                                                                   
+  3100   159.2445    865(34)           885.1849          824.5009                                                                   
+  3101   159.2945    905(34)           884.5226          824.1077                                                                   
+  3102   159.3446    924(35)           883.8861          823.7135                                                                   
+  3103   159.3946    881(34)           883.2735          823.3177                                                                   
+  3104   159.4445    859(33)           882.6867          822.9224                                                                   
+  3105   159.4945    933(35)           882.1206          822.5243                                                                   
+  3106   159.5446    979(36)           881.5758          822.1245                                                                   
+  3107   159.5945    937(35)           881.0543          821.7249                                                                   
+  3108   159.6445    882(34)           880.5520          821.3229                                                                   
+  3109   159.6944    924(35)           880.0707          820.9204                                                                   
+  3110   159.7444    936(35)           879.6086          820.5165                                                                   
+  3111   159.7943    930(35)           879.1655          820.1112                                                                   
+  3112   159.8442    902(34)           878.7409          819.7048                                                                   
+  3113   159.8943    942(35)           878.3335          819.2961                                                                   
+  3114   159.9442    963(35)           877.9444          818.8868                                                                   
+  3115   159.9942    865(33)           877.5725          818.4762                                                                   
+  3116   160.0439    941(35)           877.2191          818.0659                                                                   
+  3117   160.0940    913(34)           876.8799          817.6517                                                                   
+  3118   160.1441    964(35)           876.5572          817.2363                                                                   
+  3119   160.1940    945(35)           876.2516          816.8210                                                                   
+  3120   160.2527    963(39)           875.9119          816.3302                                                                   
+  3121   160.3028    914(39)           875.6395          815.9105                                                                   
+  3122   160.3529    961(40)           875.3824          815.4895                                                                   
+  3123   160.4030    973(39)           875.1403          815.0667                                                                   
+  3124   160.4530    943(39)           874.9143          814.6442                                                                   
+  3125   160.5029    881(38)           874.7030          814.2202                                                                   
+  3126   160.5530    928(38)           874.5061          813.7939                                                                   
+  3127   160.6030    908(38)           874.3239          813.3665                                                                   
+  3128   160.6531    901(38)           874.1564          812.9376                                                                   
+  3129   160.7029    919(39)           874.0040          812.5090                                                                   
+  3130   160.7529    937(39)           873.8660          812.0781                                                                   
+  3131   160.8030    947(39)           873.7417          811.6445                                                                   
+  3132   160.8529    960(39)           873.6328          811.2120                                                                   
+  3133   160.9029    903(38)           873.5380          810.7767                                                                   
+  3134   160.9529    896(38)           873.4577          810.3406                                                                   
+  3135   161.0028    999(40)           873.3922          809.9035                                                                   
+  3136   161.0527    911(38)           873.3409          809.4648                                                                   
+  3137   161.1027    962(39)           873.3046          809.0249                                                                   
+  3138   161.1527    936(39)           873.2828          808.5826                                                                   
+  3139   161.2027    945(39)           873.2759          808.1396                                                                   
+  3140   161.2526    934(39)           873.2838          807.6956                                                                   
+  3141   161.3024    939(40)           873.3066          807.2515                                                                   
+  3142   161.3525    983(40)           873.3452          806.8037                                                                   
+  3143   161.4025    903(39)           873.3986          806.3542                                                                   
+  3144   161.4524    946(39)           873.4678          805.9052                                                                   
+  3145   161.5085    924(43)           873.5639          805.3990                                                                   
+  3146   161.5586    961(44)           873.6668          804.9452                                                                   
+  3147   161.6086    909(42)           873.7860          804.4902                                                                   
+  3148   161.6588    938(43)           873.9216          804.0334                                                                   
+  3149   161.7087    886(42)           874.0732          803.5767                                                                   
+  3150   161.7587    934(43)           874.2421          803.1186                                                                   
+  3151   161.8087    923(43)           874.4284          802.6581                                                                   
+  3152   161.8588    948(43)           874.6321          802.1965                                                                   
+  3153   161.9088    1005(45)           874.8536          801.7334                                                                  
+  3154   161.9587    921(43)           875.0922          801.2708                                                                   
+  3155   162.0087    957(43)           875.3499          800.8049                                                                   
+  3156   162.0588    1002(45)           875.6270          800.3374                                                                  
+  3157   162.1086    937(43)           875.9222          799.8704                                                                   
+  3158   162.1587    924(43)           876.2377          799.4006                                                                   
+  3159   162.2086    926(43)           876.5724          798.9299                                                                   
+  3160   162.2585    954(43)           876.9279          798.4584                                                                   
+  3161   162.3085    878(42)           877.3039          797.9852                                                                   
+  3162   162.3584    905(42)           877.7015          797.5104                                                                   
+  3163   162.4085    926(43)           878.1218          797.0333                                                                   
+  3164   162.4584    878(42)           878.5638          796.5558                                                                   
+  3165   162.5084    858(41)           879.0283          796.0767                                                                   
+  3166   162.5581    913(43)           879.5148          795.5984                                                                   
+  3167   162.6082    890(42)           880.0284          795.1151                                                                   
+  3168   162.6583    927(43)           880.5667          794.6308                                                                   
+  3169   162.7082    902(42)           881.1285          794.1467                                                                   
+  3170   162.7682    966(62)           881.8383          793.5628                                                                   
+  3171   162.8183    905(60)           882.4611          793.0734                                                                   
+  3172   162.8683    945(61)           883.1113          792.5833                                                                   
+  3173   162.9184    936(61)           883.7904          792.0908                                                                   
+  3174   162.9684    957(62)           884.4973          791.5989                                                                   
+  3175   163.0184    909(60)           885.2345          791.1053                                                                   
+  3176   163.0684    989(63)           886.0045          790.6093                                                                   
+  3177   163.1185    923(60)           886.8066          790.1122                                                                   
+  3178   163.1685    907(60)           887.6424          789.6134                                                                   
+  3179   163.2184    893(59)           888.5093          789.1151                                                                   
+  3180   163.2684    912(60)           889.4152          788.6139                                                                   
+  3181   163.3185    984(63)           890.3591          788.1104                                                                   
+  3182   163.3683    1061(65)           891.3381          787.6077                                                                  
+  3183   163.4184    929(61)           892.3597          787.1019                                                                   
+  3184   163.4683    960(62)           893.4220          786.5955                                                                   
+  3185   163.5182    968(61)           894.5271          786.0878                                                                   
+  3186   163.5682    962(62)           895.6774          785.5786                                                                   
+  3187   163.6181    955(61)           896.8760          785.0680                                                                   
+  3188   163.6682    916(60)           898.1271          784.5548                                                                   
+  3189   163.7181    982(63)           899.4286          784.0411                                                                   
+  3190   163.7681    917(60)           900.7849          783.5259                                                                   
+  3191   163.8178    920(61)           902.1950          783.0111                                                                   
+  3192   163.8679    973(62)           903.6758          782.4917                                                                   
+  3193   163.9180    1058(65)           905.2222          781.9709                                                                  
+  3194   163.9679    1061(65)           781.4505          781.4505                                                                  
+_pd_proc_number_of_points   3077
+ 
+loop_                          
+      _refln_index_h           
+      _refln_index_k           
+      _refln_index_l           
+      _refln_mult              
+      _pd_refln_phase_id       
+      _refln_observed_status   
+      _refln_F_squared_meas    
+      _refln_F_squared_calc    
+      _refln_phase_calc        
+      _refln_d_spacing         
+   1   0   0  6  1  o          2.0381        2.0213  180.00   4.15689
+   1   1   0 12  1  o          1.7968        1.7378    0.00   2.93936
+   1   1   1  8  1  o          4.2032        4.1681    0.00   2.39998
+   2   0   0  6  1  o          5.4294        5.6614    0.00   2.07844
+   2   1   0 24  1  o          0.9070        0.9207    0.00   1.85902
+   2   1   1 24  1  o          1.1810        1.1460  180.00   1.69704
+   2   2   0 12  1  o          0.0001        0.0001  180.00   1.46968
+   2   2   1 24  1  o         11.0117       10.8545    0.00   1.38563
+   3   0   0  6  1  o          8.3433        8.2243  180.00   1.38563
+   3   1   0 24  1  o          7.5762        7.4777    0.00   1.31452
+   3   1   1 24  1  o          0.2844        0.2869    0.00   1.25335
+   2   2   2  8  1  o          5.3536        5.5191  180.00   1.19999
+   3   2   0 24  1  o          0.2345        0.2685  180.00   1.15291
+   3   2   1 48  1  o          0.1441        0.1430    0.00   1.11097
+   4   0   0  6  1  o         13.5696       13.7714    0.00   1.03922
+   3   2   2 24  1  o          3.2890        3.1896    0.00   1.00819
+   4   1   0 24  1  o          0.2644        0.2564  180.00   1.00819
+   4   1   1 24  1  o          0.1285        0.1254    0.00   0.97979
+   3   3   0 12  1  o         17.1901       16.7745    0.00   0.97979
+   3   3   1 24  1  o          0.8821        0.8326  180.00   0.95365
+   4   2   0 24  1  o          1.8638        1.9019    0.00   0.92951
+   4   2   1 48  1  o          3.1402        3.1518    0.00   0.90711
+   3   3   2 24  1  o          3.1932        3.1375    0.00   0.88625
+   4   2   2 24  1  o          0.8526        0.8238  180.00   0.84852
+   4   3   0 24  1  o          3.6488        3.6601  180.00   0.83138
+   5   0   0  6  1  o          0.2675        0.2683  180.00   0.83138
+ 
+# The following lines are used to test the character set of files sent by     
+# network email or other means. They are not part of the CIF data set.        
+# abcdefghijklmnopqrstuvwxyzABCDEFGHIJKLMNOPQRSTUVWXYZ0123456789              
+# !@#$%^&*()_+{}:"~<>?|\-=[];'`,./ 
diff --git a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_prof.cif b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_prof.cif
index b0ff1d066..a0273bf7b 100644
--- a/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_prof.cif
+++ b/docs/docs/verification/fullprof/pd-neut-cwl_tch-fcj_lab6/ECH0030684_LaB6_1p622A_prof.cif
@@ -2,10 +2,10 @@
 #==============================================
 # Powder diffraction pattern number   1
 #==============================================
-#      Date: 08/06/2026  Time: 14:22:23.253
+#      Date: 09/06/2026  Time: 12:42:02.120
  
 data_ECH0030684_LaB6_1p622A
-_audit_creation_date  08/06/2026  
+_audit_creation_date  09/06/2026  
 _audit_creation_method  "FullProf Suite"
  
 _pd_block_id    ECH0030684_LaB6_1p622A
@@ -101,28 +101,28 @@ _pd_spec_shape                    ?       # options are 'cylinder'
                                                                                             
      
 _diffrn_radiation_probe                neutrons 
-_diffrn_radiation_wavelength            1.6239
+_diffrn_radiation_wavelength            1.6225
      
 #  The following profile R-factors are NOT CORRECTED for background
 #  The sum is extended to all non-excluded points.
 #  These are the current CIF standard
  
-_pd_proc_ls_prof_R_factor                7.8003
-_pd_proc_ls_prof_wR_factor              10.5375
-_pd_proc_ls_prof_wR_expected             2.7496
+_pd_proc_ls_prof_R_factor                6.1322
+_pd_proc_ls_prof_wR_factor               8.1951
+_pd_proc_ls_prof_wR_expected             2.7567
  
 #  The following profile R-factors are CORRECTED for background
 #  The sum is extended to all non-excluded points.
 #  These items are not in the current CIF standard, but are defined above
  
-_pd_proc_ls_prof_cR_factor               15.5390
-_pd_proc_ls_prof_cwR_factor              17.9352
-_pd_proc_ls_prof_cwR_expected             4.6798
+_pd_proc_ls_prof_cR_factor               12.1762
+_pd_proc_ls_prof_cwR_factor              13.9407
+_pd_proc_ls_prof_cwR_expected             4.6895
  
 #  The following items are not in the CIF standard, but are defined above
  
-_pd_proc_ls_prof_chi2                14.6875
-_pd_proc_ls_prof_echi2               14.9925
+_pd_proc_ls_prof_chi2                 8.8371
+_pd_proc_ls_prof_echi2                9.0626
   
 _pd_proc_ls_background_function   
 ;   FullProf Background function number  
@@ -143,8 +143,8 @@ _pd_calc_method  "   Rietveld Refinement"
 _pd_meas_2theta_range_min       4.164220
 _pd_meas_2theta_range_max     163.756378
 _pd_meas_2theta_range_inc       0.049998
-_pd_proc_2theta_range_min       4.619234
-_pd_proc_2theta_range_max     164.211395
+_pd_proc_2theta_range_min       4.375320
+_pd_proc_2theta_range_max     163.967484
 _pd_proc_2theta_range_inc       0.049998
  
 loop_
@@ -154,3083 +154,3083 @@ _pd_proc_intensity_total
 _pd_calc_intensity_total
 _pd_proc_intensity_bkg_calc
  
-   118    10.4750    781(29)           758.4487          758.4487                                                                   
-   119    10.5249    839(30)           758.7958          758.7958                                                                   
-   120    10.5800    805(31)           759.1775          759.1775                                                                   
-   121    10.6301    737(30)           759.5234          759.5234                                                                   
-   122    10.6802    815(31)           759.8678          759.8678                                                                   
-   123    10.7303    794(31)           760.2112          760.2112                                                                   
-   124    10.7802    818(31)           760.5523          760.5523                                                                   
-   125    10.8302    771(30)           760.8925          760.8925                                                                   
-   126    10.8803    804(31)           761.2319          761.2319                                                                   
-   127    10.9303    727(29)           761.5700          761.5700                                                                   
-   128    10.9803    752(30)           761.9069          761.9069                                                                   
-   129    11.0302    764(30)           762.2413          762.2413                                                                   
-   130    11.0802    802(31)           762.5757          762.5757                                                                   
-   131    11.1303    753(30)           762.9091          762.9091                                                                   
-   132    11.1802    794(31)           763.2402          763.2402                                                                   
-   133    11.2302    777(30)           763.5709          763.5709                                                                   
-   134    11.2801    791(31)           763.9000          763.9000                                                                   
-   135    11.3301    789(31)           764.2277          764.2277                                                                   
-   136    11.3800    785(31)           764.5542          764.5542                                                                   
-   137    11.4299    775(30)           764.8798          764.8798                                                                   
-   138    11.4800    754(30)           765.2047          765.2047                                                                   
-   139    11.5299    787(31)           765.5278          765.5278                                                                   
-   140    11.5799    813(31)           765.8498          765.8498                                                                   
-   141    11.6297    714(29)           766.1694          766.1694                                                                   
-   142    11.6797    731(30)           766.4899          766.4899                                                                   
-   143    11.7298    726(29)           766.8089          766.8089                                                                   
-   144    11.7797    779(31)           767.1258          767.1258                                                                   
-   145    11.8294    762(28)           767.4406          767.4406                                                                   
-   146    11.8795    760(29)           767.7565          767.7565                                                                   
-   147    11.9296    803(29)           768.0708          768.0708                                                                   
-   148    11.9797    756(29)           768.3843          768.3843                                                                   
-   149    12.0297    768(29)           768.6957          768.6957                                                                   
-   150    12.0796    790(29)           769.0061          769.0061                                                                   
-   151    12.1297    734(28)           769.3158          769.3158                                                                   
-   152    12.1797    784(29)           769.6243          769.6243                                                                   
-   153    12.2298    725(28)           769.9315          769.9315                                                                   
-   154    12.2796    779(29)           770.2365          770.2365                                                                   
-   155    12.3296    753(28)           770.5413          770.5413                                                                   
-   156    12.3797    734(28)           770.8455          770.8455                                                                   
-   157    12.4296    747(28)           771.1472          771.1472                                                                   
-   158    12.4796    766(29)           771.4485          771.4485                                                                   
-   159    12.5296    751(28)           771.7483          771.7483                                                                   
-   160    12.5795    780(29)           772.0470          772.0470                                                                   
-   161    12.6294    762(29)           772.3444          772.3444                                                                   
-   162    12.6794    726(28)           772.6407          772.6407                                                                   
-   163    12.7294    807(29)           772.9366          772.9366                                                                   
-   164    12.7794    746(29)           773.2308          773.2308                                                                   
-   165    12.8293    788(29)           773.5238          773.5238                                                                   
-   166    12.8791    726(28)           773.8146          773.8146                                                                   
-   167    12.9292    762(28)           774.1061          774.1061                                                                   
-   168    12.9792    769(29)           774.3964          774.3964                                                                   
-   169    13.0291    786(29)           774.6846          774.6846                                                                   
-   170    13.0685    764(27)           774.9111          774.9111                                                                   
-   171    13.1186    727(27)           775.1984          775.1984                                                                   
-   172    13.1687    747(27)           775.4845          775.4845                                                                   
-   173    13.2188    786(28)           775.7697          775.7697                                                                   
-   174    13.2687    766(28)           776.0529          776.0529                                                                   
-   175    13.3187    777(28)           776.3349          776.3349                                                                   
-   176    13.3687    737(27)           776.6165          776.6165                                                                   
-   177    13.4188    728(27)           776.8969          776.8969                                                                   
-   178    13.4688    757(27)           777.1760          777.1760                                                                   
-   179    13.5187    782(28)           777.4531          777.4531                                                                   
-   180    13.5687    764(27)           777.7300          777.7300                                                                   
-   181    13.6188    733(27)           778.0061          778.0061                                                                   
-   182    13.6687    746(27)           778.2800          778.2800                                                                   
-   183    13.7187    760(27)           778.5536          778.5536                                                                   
-   184    13.7686    784(28)           778.8257          778.8257                                                                   
-   185    13.8186    741(27)           779.0967          779.0967                                                                   
-   186    13.8685    734(27)           780.4269          779.3665                                                                   
-   187    13.9184    775(28)           780.7079          779.6353                                                                   
-   188    13.9685    759(27)           780.9886          779.9036                                                                   
-   189    14.0184    754(27)           781.2679          780.1703                                                                   
-   190    14.0684    701(26)           781.5464          780.4359                                                                   
-   191    14.1181    778(28)           781.8229          780.6994                                                                   
-   192    14.1682    740(27)           782.1004          780.9636                                                                   
-   193    14.2183    722(27)           782.3769          781.2266                                                                   
-   194    14.2682    779(28)           782.6517          781.4876                                                                   
-   195    14.3229    740(28)           782.9521          781.7727                                                                   
-   196    14.3730    739(28)           783.2263          782.0326                                                                   
-   197    14.4231    785(29)           783.4995          782.2912                                                                   
-   198    14.4732    756(28)           783.7722          782.5490                                                                   
-   199    14.5232    733(28)           784.0430          782.8047                                                                   
-   200    14.5731    725(28)           784.3133          783.0596                                                                   
-   201    14.6232    755(28)           784.5833          783.3140                                                                   
-   202    14.6732    765(28)           784.8524          783.5671                                                                   
-   203    14.7233    801(29)           785.1208          783.8192                                                                   
-   204    14.7731    805(29)           785.3874          784.0692                                                                   
-   205    14.8231    756(28)           785.6542          784.3192                                                                   
-   206    14.8732    766(28)           785.9205          784.5682                                                                   
-   207    14.9231    781(29)           786.1851          784.8153                                                                   
-   208    14.9731    741(28)           786.4498          785.0620                                                                   
-   209    15.0231    730(28)           786.7134          785.3074                                                                   
-   210    15.0730    750(28)           786.9761          785.5515                                                                   
-   211    15.1229    760(28)           787.2382          785.7947                                                                   
-   212    15.1729    759(28)           787.4998          786.0369                                                                   
-   213    15.2229    777(29)           787.7613          786.2786                                                                   
-   214    15.2729    741(28)           788.0215          786.5187                                                                   
-   215    15.3228    738(28)           788.2812          786.7578                                                                   
-   216    15.3726    765(28)           788.5393          786.9950                                                                   
-   217    15.4227    765(28)           788.7986          787.2328                                                                   
-   218    15.4727    797(29)           789.0571          787.4694                                                                   
-   219    15.5226    744(28)           789.3141          787.7041                                                                   
-   220    15.5790    724(27)           789.6038          787.9680                                                                   
-   221    15.6291    751(27)           789.8608          788.2015                                                                   
-   222    15.6791    796(28)           790.1171          788.4340                                                                   
-   223    15.7292    748(27)           790.3730          788.6654                                                                   
-   224    15.7792    746(27)           790.6279          788.8953                                                                   
-   225    15.8292    743(27)           790.8822          789.1241                                                                   
-   226    15.8792    773(27)           791.1365          789.3524                                                                   
-   227    15.9293    766(27)           791.3904          789.5796                                                                   
-   228    15.9793    700(26)           791.6439          789.8058                                                                   
-   229    16.0292    732(27)           791.8960          790.0302                                                                   
-   230    16.0792    769(27)           792.1486          790.2543                                                                   
-   231    16.1293    699(26)           792.4012          790.4777                                                                   
-   232    16.1791    770(27)           792.6523          790.6990                                                                   
-   233    16.2292    743(27)           792.9040          790.9201                                                                   
-   234    16.2791    719(26)           793.1550          791.1399                                                                   
-   235    16.3290    708(26)           793.4057          791.3586                                                                   
-   236    16.3790    720(26)           793.6561          791.5763                                                                   
-   237    16.4289    775(27)           793.9064          791.7931                                                                   
-   238    16.4790    733(27)           794.1570          792.0093                                                                   
-   239    16.5289    724(26)           794.4072          792.2242                                                                   
-   240    16.5789    763(27)           794.6571          792.4381                                                                   
-   241    16.6286    755(27)           794.9061          792.6503                                                                   
-   242    16.6787    747(27)           795.1564          792.8627                                                                   
-   243    16.7288    736(27)           795.4068          793.0741                                                                   
-   244    16.7787    752(27)           795.6564          793.2839                                                                   
-   245    16.8131    796(29)           795.8284          793.4279                                                                   
-   246    16.8632    750(28)           796.0790          793.6368                                                                   
-   247    16.9132    784(28)           796.3297          793.8447                                                                   
-   248    16.9633    785(28)           796.5807          794.0518                                                                   
-   249    17.0133    787(28)           796.8312          794.2571                                                                   
-   250    17.0633    742(28)           797.0819          794.4617                                                                   
-   251    17.1133    750(28)           797.3334          794.6656                                                                   
-   252    17.1634    728(28)           797.5851          794.8685                                                                   
-   253    17.2134    761(28)           797.8373          795.0705                                                                   
-   254    17.2633    733(27)           798.0889          795.2707                                                                   
-   255    17.3133    713(27)           798.3420          795.4707                                                                   
-   256    17.3634    761(28)           798.5958          795.6699                                                                   
-   257    17.4132    704(27)           798.8492          795.8674                                                                   
-   258    17.4632    727(27)           799.1040          796.0645                                                                   
-   259    17.5132    770(28)           799.3593          796.2604                                                                   
-   260    17.5631    762(28)           799.6151          796.4552                                                                   
-   261    17.6131    783(28)           799.8719          796.6492                                                                   
-   262    17.6630    803(29)           800.1299          796.8423                                                                   
-   263    17.7130    688(26)           800.3892          797.0347                                                                   
-   264    17.7630    773(28)           800.6493          797.2260                                                                   
-   265    17.8130    786(28)           800.9105          797.4162                                                                   
-   266    17.8627    792(29)           801.1721          797.6049                                                                   
-   267    17.9128    805(29)           801.4366          797.7937                                                                   
-   268    17.9629    740(28)           801.7025          797.9816                                                                   
-   269    18.0128    787(28)           801.9693          798.1680                                                                   
-   270    18.0500    771(28)           802.1692          798.3063                                                                   
-   271    18.1001    774(28)           802.4400          798.4917                                                                   
-   272    18.1501    763(28)           802.7127          798.6762                                                                   
-   273    18.2002    780(28)           802.9875          798.8599                                                                   
-   274    18.2502    821(29)           803.2638          799.0421                                                                   
-   275    18.3002    790(28)           803.5424          799.2234                                                                   
-   276    18.3502    792(28)           803.8241          799.4042                                                                   
-   277    18.4003    765(28)           804.1083          799.5839                                                                   
-   278    18.4503    779(28)           804.3953          799.7628                                                                   
-   279    18.5001    769(28)           804.6841          799.9400                                                                   
-   280    18.5502    735(27)           804.9772          800.1169                                                                   
-   281    18.6002    785(28)           805.2741          800.2933                                                                   
-   282    18.6501    716(27)           805.5732          800.4678                                                                   
-   283    18.7001    734(27)           805.8771          800.6421                                                                   
-   284    18.7501    785(28)           806.1848          800.8152                                                                   
-   285    18.8000    724(27)           806.4966          800.9874                                                                   
-   286    18.8499    753(27)           806.8130          801.1587                                                                   
-   287    18.8999    757(28)           807.1345          801.3292                                                                   
-   288    18.9499    734(27)           807.4617          801.4990                                                                   
-   289    18.9999    770(28)           807.7940          801.6677                                                                   
-   290    19.0498    751(27)           808.1320          801.8353                                                                   
-   291    19.0996    808(29)           808.4753          802.0017                                                                   
-   292    19.1497    773(28)           808.8274          802.1682                                                                   
-   293    19.1998    797(28)           809.1864          802.3336                                                                   
-   294    19.2497    763(28)           809.5519          802.4977                                                                   
-   295    19.2948    752(29)           809.8896          802.6454                                                                   
-   296    19.3449    695(28)           810.2726          802.8084                                                                   
-   297    19.3950    760(28)           810.6646          802.9705                                                                   
-   298    19.4451    829(30)           811.0667          803.1318                                                                   
-   299    19.4950    786(29)           811.4782          803.2918                                                                   
-   300    19.5450    798(29)           811.9009          803.4509                                                                   
-   301    19.5951    738(28)           812.3365          803.6095                                                                   
-   302    19.6451    794(29)           812.7849          803.7672                                                                   
-   303    19.6951    756(28)           813.2471          803.9240                                                                   
-   304    19.7450    723(28)           813.7224          804.0793                                                                   
-   305    19.7950    744(28)           814.2150          804.2343                                                                   
-   306    19.8451    783(29)           814.7254          804.3885                                                                   
-   307    19.8950    776(29)           815.2520          804.5414                                                                   
-   308    19.9450    775(29)           815.7999          804.6939                                                                   
-   309    19.9949    774(29)           816.3683          804.8452                                                                   
-   310    20.0449    725(28)           816.9595          804.9957                                                                   
-   311    20.0948    792(29)           817.5752          805.1453                                                                   
-   312    20.1447    830(30)           818.2180          805.2941                                                                   
-   313    20.1948    803(29)           818.8911          805.4423                                                                   
-   314    20.2447    757(29)           819.5944          805.5895                                                                   
-   315    20.2947    803(29)           820.3317          805.7358                                                                   
-   316    20.3445    834(30)           821.1033          805.8807                                                                   
-   317    20.3945    828(30)           821.9200          806.0257                                                                   
-   318    20.4446    790(29)           822.7806          806.1698                                                                   
-   319    20.4945    775(29)           823.6865          806.3126                                                                   
-   320    20.5607    857(32)           824.9698          806.5009                                                                   
-   321    20.6108    853(32)           826.0098          806.6423                                                                   
-   322    20.6609    894(33)           827.1146          806.7828                                                                   
-   323    20.7110    887(33)           828.2925          806.9226                                                                   
-   324    20.7609    918(34)           829.5460          807.0612                                                                   
-   325    20.8109    915(33)           830.8873          807.1989                                                                   
-   326    20.8609    930(34)           832.3290          807.3361                                                                   
-   327    20.9110    1064(36)           833.8788          807.4725                                                                  
-   328    20.9610    1105(37)           835.5504          807.6080                                                                  
-   329    21.0109    1063(36)           837.3530          807.7422                                                                  
-   330    21.0609    1065(36)           839.3185          807.8760                                                                  
-   331    21.1110    1082(36)           841.4705          808.0092                                                                  
-   332    21.1609    1179(38)           843.8350          808.1411                                                                  
-   333    21.2109    1180(38)           846.4830          808.2725                                                                  
-   334    21.2608    1255(39)           849.4960          808.4028                                                                  
-   335    21.3108    1263(40)           853.0195          808.5324                                                                  
-   336    21.3607    1319(40)           857.2953          808.6612                                                                  
-   337    21.4106    1471(43)           862.7213          808.7892                                                                  
-   338    21.4607    1491(43)           869.9505          808.9167                                                                  
-   339    21.5106    1629(46)           879.9813          809.0432                                                                  
-   340    21.5606    1748(47)           894.3855          809.1688                                                                  
-   341    21.6104    1804(48)           915.4344          809.2932                                                                  
-   342    21.6604    1937(50)           946.7844          809.4175                                                                  
-   343    21.7105    2071(52)           993.1213          809.5411                                                                  
-   344    21.7604    2026(51)          1060.6445          809.6635                                                                  
-   345    21.8210    2450(55)          1183.3000          809.8109                                                                  
-   346    21.8711    2599(57)          1330.6652          809.9321                                                                  
-   347    21.9212    2836(60)          1532.3672          810.0524                                                                  
-   348    21.9713    3004(62)          1801.4143          810.1718                                                                  
-   349    22.0212    3211(64)          2148.9709          810.2903                                                                  
-   350    22.0712    3369(66)          2586.0833          810.4079                                                                  
-   351    22.1212    3810(70)          3119.7612          810.5250                                                                  
-   352    22.1713    4183(74)          3748.8206          810.6414                                                                  
-   353    22.2213    4466(77)          4464.9136          810.7569                                                                  
-   354    22.2712    4631(78)          5246.9219          810.8712                                                                  
-   355    22.3212    5280(85)          6072.2725          810.9850                                                                  
-   356    22.3713    5829(90)          6901.6328          811.0984                                                                  
-   357    22.4212    6574(97)          7685.7671          811.2105                                                                  
-   358    22.4712    7110(102)          8380.6885          811.3221                                                                 
-   359    22.5211    7852(110)          8934.2871          811.4329                                                                 
-   360    22.5711    8052(112)          9304.0312          811.5427                                                                 
-   361    22.6210    7989(112)          9458.9258          811.6519                                                                 
-   362    22.6709    7960(111)          9385.1387          811.7604                                                                 
-   363    22.7210    7849(110)          9088.4229          811.8684                                                                 
-   364    22.7709    7411(106)          8595.4531          811.9753                                                                 
-   365    22.8209    7183(104)          7946.1089          812.0815                                                                 
-   366    22.8706    6769(100)          7190.5820          812.1866                                                                 
-   367    22.9207    6176(94)          6370.8721          812.2916                                                                  
-   368    22.9708    5645(89)          5539.1846          812.3958                                                                  
-   369    23.0207    4898(82)          4738.5083          812.4990                                                                  
-   370    23.0670    4226(77)          4048.7280          812.5940                                                                  
-   371    23.1171    3632(71)          3380.0149          812.6960                                                                  
-   372    23.1672    3039(64)          2805.0024          812.7974                                                                  
-   373    23.2173    2752(60)          2326.4258          812.8981                                                                  
-   374    23.2672    2331(55)          1941.9823          812.9977                                                                  
-   375    23.3172    2049(51)          1641.4492          813.0966                                                                  
-   376    23.3672    1742(47)          1412.8530          813.1949                                                                  
-   377    23.4173    1452(42)          1244.1230          813.2925                                                                  
-   378    23.4673    1216(38)          1122.6694          813.3893                                                                  
-   379    23.5172    1052(36)          1037.5000          813.4852                                                                  
-   380    23.5672    967(34)           978.5336          813.5805                                                                   
-   381    23.6173    968(34)           938.4167          813.6753                                                                   
-   382    23.6671    949(34)           911.5017          813.7689                                                                   
-   383    23.7172    920(33)           893.3044          813.8621                                                                   
-   384    23.7671    885(32)           880.9161          813.9545                                                                   
-   385    23.8171    889(32)           873.3047          814.0462                                                                   
-   386    23.8670    894(32)           867.0582          814.1370                                                                   
-   387    23.9169    864(32)           862.3320          814.2272                                                                   
-   388    23.9670    848(32)           858.5842          814.3170                                                                   
-   389    24.0169    856(32)           855.4968          814.4059                                                                   
-   390    24.0669    857(32)           852.8620          814.4940                                                                   
-   391    24.1166    800(31)           850.5651          814.5811                                                                   
-   392    24.1667    809(31)           848.5092          814.6680                                                                   
-   393    24.2168    869(32)           846.6614          814.7542                                                                   
-   394    24.2667    866(32)           844.9926          814.8394                                                                   
-   395    24.3164    931(37)           843.4794          814.9236                                                                   
-   396    24.3665    888(36)           842.0858          815.0079                                                                   
-   397    24.4165    886(36)           840.8103          815.0912                                                                   
-   398    24.4667    916(37)           839.6390          815.1740                                                                   
-   399    24.5166    953(37)           838.5657          815.2558                                                                   
-   400    24.5666    902(36)           837.5771          815.3370                                                                   
-   401    24.6166    832(35)           836.6639          815.4177                                                                   
-   402    24.6667    881(36)           835.8210          815.4976                                                                   
-   403    24.7167    909(36)           835.0420          815.5769                                                                   
-   404    24.7666    891(36)           834.3235          815.6552                                                                   
-   405    24.8166    824(34)           833.6558          815.7330                                                                   
-   406    24.8667    873(36)           833.0358          815.8103                                                                   
-   407    24.9165    869(36)           832.4626          815.8866                                                                   
-   408    24.9666    844(35)           831.9288          815.9624                                                                   
-   409    25.0165    870(36)           831.4331          816.0375                                                                   
-   410    25.0664    842(35)           830.9722          816.1118                                                                   
-   411    25.1164    871(35)           830.5433          816.1854                                                                   
-   412    25.1663    808(34)           830.1437          816.2585                                                                   
-   413    25.2164    787(34)           829.7707          816.3309                                                                   
-   414    25.2663    799(34)           829.4238          816.4028                                                                   
-   415    25.3163    788(34)           829.1005          816.4738                                                                   
-   416    25.3660    789(34)           828.7999          816.5438                                                                   
-   417    25.4161    834(35)           828.5181          816.6138                                                                   
-   418    25.4662    800(34)           828.2554          816.6830                                                                   
-   419    25.5161    823(35)           828.0111          816.7513                                                                   
-   420    25.5705    801(33)           827.7638          816.8251                                                                   
-   421    25.6206    786(33)           827.5522          816.8923                                                                   
-   422    25.6706    793(33)           827.3553          816.9590                                                                   
-   423    25.7207    819(34)           827.1719          817.0249                                                                   
-   424    25.7707    797(33)           827.0018          817.0900                                                                   
-   425    25.8207    780(33)           826.8436          817.1545                                                                   
-   426    25.8707    821(34)           826.6964          817.2184                                                                   
-   427    25.9208    782(33)           826.5601          817.2817                                                                   
-   428    25.9708    812(34)           826.4338          817.3444                                                                   
-   429    26.0207    822(34)           826.3174          817.4062                                                                   
-   430    26.0707    848(34)           826.2096          817.4675                                                                   
-   431    26.1208    844(34)           826.1103          817.5283                                                                   
-   432    26.1706    803(33)           826.0194          817.5882                                                                   
-   433    26.2207    745(32)           825.9360          817.6476                                                                   
-   434    26.2706    776(33)           825.8600          817.7064                                                                   
-   435    26.3205    811(33)           825.7910          817.7644                                                                   
-   436    26.3705    815(33)           825.7287          817.8219                                                                   
-   437    26.4204    748(32)           825.6726          817.8787                                                                   
-   438    26.4705    769(33)           825.6226          817.9351                                                                   
-   439    26.5204    738(32)           825.5784          817.9907                                                                   
-   440    26.5704    816(33)           825.5399          818.0457                                                                   
-   441    26.6201    744(32)           825.5068          818.0999                                                                   
-   442    26.6702    724(31)           825.4787          818.1537                                                                   
-   443    26.7203    794(33)           825.4556          818.2069                                                                   
-   444    26.7702    830(34)           825.4374          818.2594                                                                   
-   445    26.8326    804(29)           825.4213          818.3242                                                                   
-   446    26.8827    766(28)           825.4133          818.3755                                                                   
-   447    26.9328    816(29)           825.4099          818.4261                                                                   
-   448    26.9829    823(29)           825.4105          818.4761                                                                   
-   449    27.0328    823(29)           825.4155          818.5255                                                                   
-   450    27.0828    827(29)           825.4246          818.5742                                                                   
-   451    27.1329    815(29)           825.4376          818.6224                                                                   
-   452    27.1829    810(29)           825.4547          818.6701                                                                   
-   453    27.2329    764(28)           825.4755          818.7171                                                                   
-   454    27.2828    820(29)           825.5001          818.7633                                                                   
-   455    27.3328    885(30)           825.5286          818.8091                                                                   
-   456    27.3829    831(30)           825.5609          818.8544                                                                   
-   457    27.4328    786(29)           825.5967          818.8988                                                                   
-   458    27.4828    794(29)           825.6364          818.9427                                                                   
-   459    27.5328    871(30)           825.6798          818.9861                                                                   
-   460    27.5827    755(28)           825.7269          819.0289                                                                   
-   461    27.6326    814(29)           825.7778          819.0711                                                                   
-   462    27.6826    789(29)           825.8323          819.1127                                                                   
-   463    27.7326    803(29)           825.8910          819.1538                                                                   
-   464    27.7826    782(28)           825.9532          819.1942                                                                   
-   465    27.8325    833(29)           826.0195          819.2341                                                                   
-   466    27.8823    801(29)           826.0894          819.2732                                                                   
-   467    27.9324    807(29)           826.1639          819.3121                                                                   
-   468    27.9824    810(29)           826.2424          819.3502                                                                   
-   469    28.0323    763(28)           826.3250          819.3878                                                                   
-   470    28.0884    854(33)           826.4230          819.4293                                                                   
-   471    28.1385    882(33)           826.5153          819.4657                                                                   
-   472    28.1886    822(32)           826.6123          819.5016                                                                   
-   473    28.2387    841(33)           826.7141          819.5369                                                                   
-   474    28.2886    851(33)           826.8206          819.5717                                                                   
-   475    28.3386    850(33)           826.9321          819.6057                                                                   
-   476    28.3887    813(32)           827.0491          819.6392                                                                   
-   477    28.4387    779(31)           827.1718          819.6723                                                                   
-   478    28.4887    815(32)           827.3002          819.7048                                                                   
-   479    28.5386    825(32)           827.4341          819.7366                                                                   
-   480    28.5886    855(33)           827.5748          819.7679                                                                   
-   481    28.6387    861(33)           827.7222          819.7987                                                                   
-   482    28.6886    807(32)           827.8759          819.8289                                                                   
-   483    28.7386    831(32)           828.0374          819.8586                                                                   
-   484    28.7885    874(33)           828.2061          819.8876                                                                   
-   485    28.8385    886(33)           828.3829          819.9162                                                                   
-   486    28.8884    843(32)           828.5680          819.9442                                                                   
-   487    28.9383    865(33)           828.7621          819.9716                                                                   
-   488    28.9884    826(32)           828.9662          819.9987                                                                   
-   489    29.0384    880(33)           829.1797          820.0250                                                                   
-   490    29.0883    877(33)           829.4037          820.0507                                                                   
-   491    29.1381    839(32)           829.6383          820.0760                                                                   
-   492    29.1881    835(32)           829.8862          820.1008                                                                   
-   493    29.2382    852(32)           830.1467          820.1251                                                                   
-   494    29.2881    850(32)           830.4199          820.1487                                                                   
-   495    29.3207    893(36)           830.6064          820.1640                                                                   
-   496    29.3709    852(35)           830.9052          820.1869                                                                   
-   497    29.4209    863(35)           831.2200          820.2092                                                                   
-   498    29.4710    800(33)           831.5522          820.2311                                                                   
-   499    29.5210    921(36)           831.9019          820.2523                                                                   
-   500    29.5709    865(35)           832.2717          820.2731                                                                   
-   501    29.6210    894(35)           832.6635          820.2932                                                                   
-   502    29.6710    878(35)           833.0782          820.3130                                                                   
-   503    29.7211    869(35)           833.5176          820.3322                                                                   
-   504    29.7709    860(34)           833.9821          820.3508                                                                   
-   505    29.8210    828(34)           834.4771          820.3689                                                                   
-   506    29.8710    851(34)           835.0039          820.3865                                                                   
-   507    29.9209    869(35)           835.5628          820.4036                                                                   
-   508    29.9709    787(33)           836.1602          820.4203                                                                   
-   509    30.0209    777(33)           836.7967          820.4363                                                                   
-   510    30.0708    860(35)           837.4767          820.4518                                                                   
-   511    30.1207    804(34)           838.2046          820.4669                                                                   
-   512    30.1707    820(34)           838.9850          820.4814                                                                   
-   513    30.2207    859(35)           839.8245          820.4955                                                                   
-   514    30.2707    854(34)           840.7258          820.5090                                                                   
-   515    30.3206    830(34)           841.6962          820.5220                                                                   
-   516    30.3704    817(34)           842.7398          820.5345                                                                   
-   517    30.4205    790(33)           843.8751          820.5467                                                                   
-   518    30.4706    844(34)           845.1044          820.5582                                                                   
-   519    30.5205    829(34)           846.4349          820.5694                                                                   
-   520    30.5535    832(32)           847.3806          820.5763                                                                   
-   521    30.6036    837(32)           848.9209          820.5866                                                                   
-   522    30.6537    866(33)           850.6050          820.5964                                                                   
-   523    30.7038    818(32)           852.4565          820.6057                                                                   
-   524    30.7538    935(34)           854.4976          820.6145                                                                   
-   525    30.8037    944(35)           856.7745          820.6227                                                                   
-   526    30.8538    921(34)           859.3560          820.6305                                                                   
-   527    30.9038    920(34)           862.3390          820.6379                                                                   
-   528    30.9539    961(35)           865.8938          820.6448                                                                   
-   529    31.0037    976(36)           870.2880          820.6511                                                                   
-   530    31.0537    1099(38)           876.0220          820.6569                                                                  
-   531    31.1038    1240(40)           883.8753          820.6625                                                                  
-   532    31.1537    1249(41)           895.0311          820.6673                                                                  
-   533    31.2037    1385(43)           911.4896          820.6718                                                                  
-   534    31.2537    1470(45)           936.0831          820.6758                                                                  
-   535    31.3036    1591(47)           972.9772          820.6793                                                                  
-   536    31.3535    1583(46)          1027.9341          820.6824                                                                  
-   537    31.4035    1818(50)          1107.6090          820.6849                                                                  
-   538    31.4535    2031(53)          1224.0077          820.6870                                                                  
-   539    31.5035    2144(55)          1387.1736          820.6887                                                                  
-   540    31.5534    2382(59)          1611.2246          820.6899                                                                  
-   541    31.6032    2656(62)          1905.5300          820.6906                                                                  
-   542    31.6533    2856(64)          2286.1104          820.6909                                                                  
-   543    31.7033    3194(69)          2759.2793          820.6907                                                                  
-   544    31.7532    3468(72)          3325.6372          820.6901                                                                  
-   545    31.8064    3965(81)          4026.7510          820.6888                                                                  
-   546    31.8565    4513(87)          4762.2285          820.6871                                                                  
-   547    31.9066    5196(94)          5542.3672          820.6852                                                                  
-   548    31.9567    5805(100)          6330.6426          820.6827                                                                 
-   549    32.0067    6754(110)          7078.1826          820.6797                                                                 
-   550    32.0566    7398(116)          7737.1519          820.6764                                                                 
-   551    32.1067    7939(121)          8257.8906          820.6725                                                                 
-   552    32.1567    8236(124)          8593.8701          820.6682                                                                 
-   553    32.2068    8200(124)          8714.3135          820.6635                                                                 
-   554    32.2566    8073(121)          8608.1426          820.6583                                                                 
-   555    32.3066    7971(121)          8285.1777          820.6527                                                                 
-   556    32.3567    7587(117)          7774.8687          820.6466                                                                 
-   557    32.4066    7168(113)          7124.3667          820.6401                                                                 
-   558    32.4566    6622(107)          6379.9805          820.6333                                                                 
-   559    32.5066    6111(102)          5595.2666          820.6259                                                                 
-   560    32.5565    5204(92)          4815.5664          820.6180                                                                  
-   561    32.6064    4630(86)          4078.5632          820.6099                                                                  
-   562    32.6564    3910(78)          3411.2930          820.6012                                                                  
-   563    32.7064    3211(69)          2830.8191          820.5921                                                                  
-   564    32.7564    2915(66)          2345.5447          820.5826                                                                  
-   565    32.8063    2533(61)          1953.6589          820.5726                                                                  
-   566    32.8561    2106(55)          1648.2615          820.5624                                                                  
-   567    32.9062    1722(49)          1415.5383          820.5515                                                                  
-   568    32.9562    1428(45)          1244.6638          820.5403                                                                  
-   569    33.0061    1154(40)          1122.9377          820.5287                                                                  
-   570    33.0513    1076(36)          1044.7527          820.5178                                                                  
-   571    33.1014    961(34)           984.3642          820.5054                                                                   
-   572    33.1515    994(34)           943.8029          820.4925                                                                   
-   573    33.2016    916(33)           916.7813          820.4792                                                                   
-   574    33.2516    894(33)           898.8145          820.4656                                                                   
-   575    33.3015    881(32)           886.6595          820.4515                                                                   
-   576    33.3516    894(33)           878.1992          820.4370                                                                   
-   577    33.4016    899(32)           872.0811          820.4221                                                                   
-   578    33.4517    884(32)           867.4357          820.4067                                                                   
-   579    33.5015    853(31)           863.7453          820.3911                                                                   
-   580    33.5515    866(32)           860.6648          820.3749                                                                   
-   581    33.6016    876(32)           858.0146          820.3584                                                                   
-   582    33.6515    877(32)           855.6931          820.3416                                                                   
-   583    33.7015    794(30)           853.6136          820.3242                                                                   
-   584    33.7515    780(30)           851.7400          820.3064                                                                   
-   585    33.8014    840(32)           850.0397          820.2884                                                                   
-   586    33.8513    905(33)           848.4885          820.2699                                                                   
-   587    33.9013    862(32)           847.0681          820.2510                                                                   
-   588    33.9513    821(31)           845.7624          820.2316                                                                   
-   589    34.0013    854(32)           844.5638          820.2120                                                                   
-   590    34.0512    827(31)           843.4597          820.1920                                                                   
-   591    34.1010    858(32)           842.4436          820.1715                                                                   
-   592    34.1511    851(32)           841.4987          820.1506                                                                   
-   593    34.2011    855(32)           840.6242          820.1293                                                                   
-   594    34.2510    912(33)           839.8160          820.1077                                                                   
-   595    34.2924    747(27)           839.1900          820.0896                                                                   
-   596    34.3425    823(29)           838.4810          820.0672                                                                   
-   597    34.3926    852(29)           837.8219          820.0444                                                                   
-   598    34.4427    840(29)           837.2082          820.0214                                                                   
-   599    34.4927    826(29)           836.6378          819.9979                                                                   
-   600    34.5426    882(30)           836.1057          819.9741                                                                   
-   601    34.5927    866(29)           835.6083          819.9498                                                                   
-   602    34.6427    882(30)           835.1440          819.9252                                                                   
-   603    34.6928    838(29)           834.7102          819.9002                                                                   
-   604    34.7426    920(30)           834.3064          819.8749                                                                   
-   605    34.7926    872(29)           833.9279          819.8492                                                                   
-   606    34.8427    869(29)           833.5737          819.8231                                                                   
-   607    34.8926    866(29)           833.2441          819.7967                                                                   
-   608    34.9426    899(30)           832.9354          819.7700                                                                   
-   609    34.9926    877(30)           832.6474          819.7428                                                                   
-   610    35.0425    906(30)           832.3790          819.7153                                                                   
-   611    35.0924    869(29)           832.1288          819.6874                                                                   
-   612    35.1424    864(29)           831.8959          819.6593                                                                   
-   613    35.1924    880(30)           831.6790          819.6306                                                                   
-   614    35.2424    843(29)           831.4781          819.6017                                                                   
-   615    35.2923    884(30)           831.2922          819.5723                                                                   
-   616    35.3421    805(28)           831.1214          819.5428                                                                   
-   617    35.3922    865(29)           830.9633          819.5128                                                                   
-   618    35.4422    875(30)           830.8187          819.4824                                                                   
-   619    35.4921    897(30)           830.6872          819.4517                                                                   
-   620    35.5610    824(29)           830.5263          819.4088                                                                   
-   621    35.6111    901(31)           830.4236          819.3772                                                                   
-   622    35.6611    835(29)           830.3328          819.3453                                                                   
-   623    35.7112    862(30)           830.2534          819.3129                                                                   
-   624    35.7612    840(30)           830.1857          819.2804                                                                   
-   625    35.8112    872(30)           830.1292          819.2475                                                                   
-   626    35.8612    832(29)           830.0837          819.2142                                                                   
-   627    35.9113    835(29)           830.0491          819.1805                                                                   
-   628    35.9613    869(30)           830.0258          819.1467                                                                   
-   629    36.0112    879(30)           830.0134          819.1124                                                                   
-   630    36.0612    865(30)           830.0122          819.0779                                                                   
-   631    36.1113    824(29)           830.0221          819.0428                                                                   
-   632    36.1611    846(30)           830.0433          819.0077                                                                   
-   633    36.2112    797(29)           830.0760          818.9720                                                                   
-   634    36.2611    837(29)           830.1204          818.9362                                                                   
-   635    36.3110    848(30)           830.1768          818.9000                                                                   
-   636    36.3610    822(29)           830.2454          818.8635                                                                   
-   637    36.4109    883(30)           830.3266          818.8266                                                                   
-   638    36.4609    874(30)           830.4210          818.7893                                                                   
-   639    36.5109    768(28)           830.5289          818.7518                                                                   
-   640    36.5609    812(29)           830.6506          818.7139                                                                   
-   641    36.6106    787(29)           830.7865          818.6760                                                                   
-   642    36.6607    800(29)           830.9384          818.6375                                                                   
-   643    36.7108    840(30)           831.1063          818.5986                                                                   
-   644    36.7607    840(30)           831.2903          818.5595                                                                   
-   645    36.8347    791(29)           831.5958          818.5010                                                                   
-   646    36.8848    814(29)           831.8262          818.4611                                                                   
-   647    36.9348    804(29)           832.0767          818.4207                                                                   
-   648    36.9849    788(28)           832.3489          818.3802                                                                   
-   649    37.0349    770(28)           832.6429          818.3393                                                                   
-   650    37.0849    792(28)           832.9614          818.2982                                                                   
-   651    37.1349    788(28)           833.3063          818.2567                                                                   
-   652    37.1850    815(29)           833.6790          818.2150                                                                   
-   653    37.2350    793(28)           834.0813          818.1729                                                                   
-   654    37.2848    792(28)           834.5140          818.1306                                                                   
-   655    37.3349    786(28)           834.9825          818.0880                                                                   
-   656    37.3849    785(28)           835.4888          818.0449                                                                   
-   657    37.4348    788(28)           836.0330          818.0018                                                                   
-   658    37.4848    815(29)           836.6223          817.9582                                                                   
-   659    37.5348    809(29)           837.2578          817.9144                                                                   
-   660    37.5847    788(28)           837.9443          817.8704                                                                   
-   661    37.6347    782(28)           838.6866          817.8260                                                                   
-   662    37.6846    743(28)           839.4904          817.7814                                                                   
-   663    37.7346    760(28)           840.3625          817.7363                                                                   
-   664    37.7846    788(28)           841.3069          817.6910                                                                   
-   665    37.8345    767(28)           842.3317          817.6455                                                                   
-   666    37.8843    761(28)           843.4420          817.5999                                                                   
-   667    37.9344    806(29)           844.6579          817.5537                                                                   
-   668    37.9845    792(28)           845.9830          817.5072                                                                   
-   669    38.0344    785(28)           847.4261          817.4606                                                                   
-   670    38.0751    837(30)           848.7024          817.4224                                                                   
-   671    38.1252    812(29)           850.4113          817.3751                                                                   
-   672    38.1752    827(29)           852.2888          817.3276                                                                   
-   673    38.2253    813(29)           854.3616          817.2797                                                                   
-   674    38.2753    801(29)           857.6923          817.2317                                                                   
-   675    38.3252    857(30)           860.2629          817.1833                                                                   
-   676    38.3753    856(30)           863.1704          817.1347                                                                   
-   677    38.4253    894(31)           866.5078          817.0858                                                                   
-   678    38.4754    849(30)           870.4441          817.0366                                                                   
-   679    38.5252    896(31)           875.2413          816.9875                                                                   
-   680    38.5753    960(32)           881.4074          816.9378                                                                   
-   681    38.6253    922(31)           889.7450          816.8877                                                                   
-   682    38.6752    1028(33)           901.5051          816.8376                                                                  
-   683    38.7252    1048(34)           918.8543          816.7872                                                                  
-   684    38.7752    1110(35)           944.9323          816.7365                                                                  
-   685    38.8251    1302(38)           984.4598          816.6856                                                                  
-   686    38.8750    1383(39)          1044.1239          816.6344                                                                  
-   687    38.9250    1525(41)          1133.0223          816.5830                                                                  
-   688    38.9750    1656(43)          1263.0031          816.5313                                                                  
-   689    39.0250    1803(45)          1447.6809          816.4792                                                                  
-   690    39.0749    2165(50)          1702.8401          816.4271                                                                  
-   691    39.1247    2524(55)          2043.3687          816.3748                                                                  
-   692    39.1748    2821(58)          2487.3367          816.3220                                                                  
-   693    39.2249    3181(62)          3042.8765          816.2689                                                                  
-   694    39.2748    3658(67)          3710.2202          816.2156                                                                  
-   695    39.3258    4322(72)          4501.9233          816.1611                                                                  
-   696    39.3759    5222(80)          5364.8027          816.1073                                                                  
-   697    39.4260    5964(86)          6277.1738          816.0532                                                                  
-   698    39.4761    7301(96)          7191.6719          815.9988                                                                  
-   699    39.5260    8252(104)          8046.5142          815.9443                                                                 
-   700    39.5760    9019(110)          8781.7646          815.8896                                                                 
-   701    39.6261    9364(113)          9335.9033          815.8346                                                                 
-   702    39.6761    9520(114)          9654.7119          815.7794                                                                 
-   703    39.7261    9400(113)          9706.2744          815.7239                                                                 
-   704    39.7760    9326(112)          9486.2930          815.6683                                                                 
-   705    39.8260    8782(108)          9016.1934          815.6124                                                                 
-   706    39.8761    8342(105)          8341.2812          815.5562                                                                 
-   707    39.9260    7732(100)          7525.1387          815.4999                                                                 
-   708    39.9760    6934(93)          6626.4292          815.4432                                                                  
-   709    40.0259    5966(85)          5709.5488          815.3865                                                                  
-   710    40.0759    5194(79)          4825.3848          815.3295                                                                  
-   711    40.1258    4326(71)          4013.9988          815.2722                                                                  
-   712    40.1757    3574(63)          3300.8970          815.2148                                                                  
-   713    40.2258    3004(58)          2698.8831          815.1570                                                                  
-   714    40.2757    2518(52)          2211.0815          815.0990                                                                  
-   715    40.3257    2195(49)          1829.5225          815.0410                                                                  
-   716    40.3755    1717(43)          1541.7404          814.9827                                                                  
-   717    40.4255    1434(39)          1329.5303          814.9240                                                                  
-   718    40.4756    1217(35)          1178.7643          814.8650                                                                  
-   719    40.5255    1070(33)          1074.7815          814.8062                                                                  
-   720    40.5774    950(30)          1002.0795          814.7446                                                                   
-   721    40.6275    986(31)           955.7672          814.6849                                                                   
-   722    40.6776    924(30)           924.2344          814.6251                                                                   
-   723    40.7277    849(28)           904.0357          814.5650                                                                   
-   724    40.7776    888(29)           890.4630          814.5049                                                                   
-   725    40.8276    863(29)           880.9970          814.4446                                                                   
-   726    40.8776    805(28)           874.0760          814.3839                                                                   
-   727    40.9277    847(28)           868.7608          814.3231                                                                   
-   728    40.9777    863(29)           864.4697          814.2620                                                                   
-   729    41.0276    837(28)           860.8743          814.2010                                                                   
-   730    41.0776    835(28)           857.7482          814.1396                                                                   
-   731    41.1277    802(27)           854.9811          814.0779                                                                   
-   732    41.1776    886(29)           852.5120          814.0163                                                                   
-   733    41.2276    838(28)           850.2745          813.9542                                                                   
-   734    41.2775    843(28)           848.2443          813.8922                                                                   
-   735    41.3275    841(28)           846.3923          813.8298                                                                   
-   736    41.3774    830(28)           844.6978          813.7673                                                                   
-   737    41.4273    876(29)           843.1425          813.7045                                                                   
-   738    41.4774    835(28)           841.7100          813.6415                                                                   
-   739    41.5273    823(28)           840.3927          813.5784                                                                   
-   740    41.5773    832(28)           839.1774          813.5151                                                                   
-   741    41.6271    853(28)           838.0578          813.4518                                                                   
-   742    41.6771    845(28)           837.0150          813.3879                                                                   
-   743    41.7272    830(28)           836.0490          813.3239                                                                   
-   744    41.7771    824(28)           835.1555          813.2599                                                                   
-   745    41.8193    785(28)           834.4487          813.2055                                                                   
-   746    41.8694    806(29)           833.6652          813.1410                                                                   
-   747    41.9195    742(27)           832.9367          813.0762                                                                   
-   748    41.9696    801(29)           832.2579          813.0112                                                                   
-   749    42.0196    794(28)           831.6277          812.9463                                                                   
-   750    42.0695    759(28)           831.0404          812.8812                                                                   
-   751    42.1196    817(29)           830.4919          812.8157                                                                   
-   752    42.1696    814(29)           829.9811          812.7501                                                                   
-   753    42.2197    776(28)           829.5052          812.6843                                                                   
-   754    42.2695    755(28)           829.0637          812.6186                                                                   
-   755    42.3195    768(28)           828.6514          812.5525                                                                   
-   756    42.3696    812(29)           828.2678          812.4861                                                                   
-   757    42.4195    797(28)           827.9132          812.4198                                                                   
-   758    42.4695    808(29)           827.5837          812.3531                                                                   
-   759    42.5195    800(29)           827.2797          812.2866                                                                   
-   760    42.5694    768(28)           826.9993          812.2196                                                                   
-   761    42.6193    807(29)           826.7420          812.1526                                                                   
-   762    42.6693    819(29)           826.5066          812.0854                                                                   
-   763    42.7193    840(29)           826.2921          812.0179                                                                   
-   764    42.7693    840(29)           826.0986          811.9503                                                                   
-   765    42.8192    837(29)           825.9256          811.8827                                                                   
-   766    42.8690    815(29)           825.7728          811.8151                                                                   
-   767    42.9191    867(30)           825.6387          811.7469                                                                   
-   768    42.9691    828(29)           825.5240          811.6786                                                                   
-   769    43.0190    820(29)           825.4289          811.6103                                                                   
-   770    43.0691    858(31)           825.3526          811.5416                                                                   
-   771    43.1192    839(30)           825.2957          811.4727                                                                   
-   772    43.1693    845(30)           825.2583          811.4039                                                                   
-   773    43.2194    822(30)           825.2405          811.3347                                                                   
-   774    43.2694    833(30)           825.2427          811.2655                                                                   
-   775    43.3193    893(31)           825.2654          811.1963                                                                   
-   776    43.3694    834(30)           825.3090          811.1267                                                                   
-   777    43.4194    829(30)           825.3741          811.0571                                                                   
-   778    43.4695    795(29)           825.4617          810.9872                                                                   
-   779    43.5193    772(29)           825.5720          810.9175                                                                   
-   780    43.5693    772(29)           825.7070          810.8474                                                                   
-   781    43.6194    761(29)           825.8675          810.7771                                                                   
-   782    43.6693    766(29)           826.0540          810.7069                                                                   
-   783    43.7193    793(30)           826.2692          810.6364                                                                   
-   784    43.7693    760(29)           826.5139          810.5658                                                                   
-   785    43.8192    741(28)           826.7901          810.4951                                                                   
-   786    43.8691    830(30)           827.1001          810.4243                                                                   
-   787    43.9191    742(28)           827.4466          810.3533                                                                   
-   788    43.9691    750(29)           827.8325          810.2821                                                                   
-   789    44.0191    774(29)           828.2598          810.2108                                                                   
-   790    44.0690    828(30)           828.7322          810.1395                                                                   
-   791    44.1188    821(30)           829.2518          810.0682                                                                   
-   792    44.1689    810(30)           829.8283          809.9965                                                                   
-   793    44.2189    780(29)           830.4628          809.9244                                                                   
-   794    44.2688    795(30)           831.1590          809.8526                                                                   
-   795    44.3200    781(29)           832.5450          809.7789                                                                   
-   796    44.3701    827(30)           833.4014          809.7065                                                                   
-   797    44.4201    803(29)           834.3431          809.6340                                                                   
-   798    44.4702    822(29)           835.3802          809.5613                                                                   
-   799    44.5202    866(30)           836.5199          809.4889                                                                   
-   800    44.5702    841(30)           837.7770          809.4162                                                                   
-   801    44.6202    771(29)           839.1686          809.3433                                                                   
-   802    44.6703    872(30)           840.7089          809.2701                                                                   
-   803    44.7203    828(30)           842.4192          809.1970                                                                   
-   804    44.7702    881(30)           844.3186          809.1240                                                                   
-   805    44.8202    878(31)           846.4570          809.0507                                                                   
-   806    44.8703    881(31)           848.8852          808.9771                                                                   
-   807    44.9201    811(29)           851.6739          808.9037                                                                   
-   808    44.9702    808(29)           854.9821          808.8300                                                                   
-   809    45.0201    881(31)           859.0380          808.7563                                                                   
-   810    45.0700    842(30)           864.2546          808.6826                                                                   
-   811    45.1200    907(31)           871.3343          808.6086                                                                   
-   812    45.1699    950(32)           881.4465          808.5346                                                                   
-   813    45.2200    920(31)           896.4889          808.4603                                                                   
-   814    45.2699    987(32)           919.3267          808.3860                                                                   
-   815    45.3199    1114(35)           954.2938          808.3116                                                                  
-   816    45.3696    1132(35)          1007.3361          808.2374                                                                  
-   817    45.4197    1237(37)          1087.3455          808.1626                                                                  
-   818    45.4698    1340(38)          1204.7015          808.0878                                                                  
-   819    45.5197    1588(42)          1371.6189          808.0131                                                                  
-   820    45.5643    1811(46)          1574.3669          807.9463                                                                  
-   821    45.6144    1980(48)          1875.2876          807.8710                                                                  
-   822    45.6644    2355(53)          2265.0605          807.7958                                                                  
-   823    45.7145    2782(58)          2751.6094          807.7204                                                                  
-   824    45.7645    3280(64)          3332.7939          807.6451                                                                  
-   825    45.8145    3885(70)          3999.5850          807.5698                                                                  
-   826    45.8645    4480(76)          4731.3125          807.4941                                                                  
-   827    45.9146    5331(83)          5491.3945          807.4185                                                                  
-   828    45.9646    6337(92)          6234.2075          807.3427                                                                  
-   829    46.0145    6989(98)          6903.7319          807.2670                                                                  
-   830    46.0645    7320(101)          7448.3701          807.1912                                                                 
-   831    46.1146    7422(102)          7814.5610          807.1151                                                                 
-   832    46.1644    7448(102)          7962.6406          807.0391                                                                 
-   833    46.2144    7148(99)          7877.5586          806.9630                                                                  
-   834    46.2644    6890(97)          7568.6255          806.8868                                                                  
-   835    46.3143    6529(94)          7069.1978          806.8106                                                                  
-   836    46.3643    5984(89)          6428.1938          806.7343                                                                  
-   837    46.4142    5579(85)          5700.5703          806.6580                                                                  
-   838    46.4642    4639(77)          4940.0879          806.5812                                                                  
-   839    46.5142    3946(70)          4197.5312          806.5046                                                                  
-   840    46.5642    3173(62)          3510.3599          806.4280                                                                  
-   841    46.6139    2703(56)          2905.6213          806.3516                                                                  
-   842    46.6640    2308(52)          2391.3752          806.2745                                                                  
-   843    46.7141    1961(48)          1974.5869          806.1974                                                                  
-   844    46.7640    1738(44)          1650.4146          806.1205                                                                  
-   845    46.8148    1386(40)          1402.5669          806.0422                                                                  
-   846    46.8649    1237(38)          1225.3738          805.9649                                                                  
-   847    46.9149    967(33)          1100.6576          805.8875                                                                   
-   848    46.9650    915(32)          1015.2274          805.8100                                                                   
-   849    47.0150    874(31)           958.2455          805.7326                                                                   
-   850    47.0649    813(30)           920.6885          805.6552                                                                   
-   851    47.1150    865(31)           896.0560          805.5775                                                                   
-   852    47.1650    891(32)           879.8553          805.4999                                                                   
-   853    47.2151    856(31)           868.9393          805.4221                                                                   
-   854    47.2649    845(31)           861.3188          805.3446                                                                   
-   855    47.3150    789(30)           855.6824          805.2668                                                                   
-   856    47.3650    794(30)           851.2935          805.1888                                                                   
-   857    47.4149    802(30)           847.7213          805.1111                                                                   
-   858    47.4649    774(29)           844.6788          805.0330                                                                   
-   859    47.5149    809(30)           842.0283          804.9551                                                                   
-   860    47.5648    775(29)           839.6738          804.8770                                                                   
-   861    47.6147    733(29)           837.5587          804.7990                                                                   
-   862    47.6647    791(30)           835.6426          804.7208                                                                   
-   863    47.7147    757(29)           833.8965          804.6425                                                                   
-   864    47.7647    780(30)           832.3042          804.5642                                                                   
-   865    47.8146    775(30)           830.8466          804.4860                                                                   
-   866    47.8644    760(29)           829.5124          804.4078                                                                   
-   867    47.9145    761(29)           827.0696          804.3292                                                                   
-   868    47.9646    771(29)           825.9450          804.2505                                                                   
-   869    48.0145    750(29)           824.9106          804.1721                                                                   
-   870    48.0822    749(27)           823.6282          804.0654                                                                   
-   871    48.1324    762(27)           822.7621          803.9866                                                                   
-   872    48.1824    722(26)           821.9591          803.9077                                                                   
-   873    48.2325    771(27)           821.2129          803.8288                                                                   
-   874    48.2825    748(27)           820.5210          803.7500                                                                   
-   875    48.3324    770(27)           819.8768          803.6711                                                                   
-   876    48.3825    747(27)           819.2756          803.5921                                                                   
-   877    48.4325    693(26)           818.7156          803.5131                                                                   
-   878    48.4826    753(27)           818.1937          803.4340                                                                   
-   879    48.5324    701(26)           817.7087          803.3552                                                                   
-   880    48.5825    773(27)           817.2552          803.2761                                                                   
-   881    48.6325    794(28)           816.8322          803.1968                                                                   
-   882    48.6824    732(27)           816.4396          803.1179                                                                   
-   883    48.7324    743(27)           816.0734          803.0386                                                                   
-   884    48.7824    815(28)           815.7336          802.9594                                                                   
-   885    48.8323    746(27)           815.4186          802.8803                                                                   
-   886    48.8822    775(28)           815.1272          802.8011                                                                   
-   887    48.9322    787(27)           814.8581          802.7219                                                                   
-   888    48.9822    756(27)           814.6105          802.6425                                                                   
-   889    49.0322    767(27)           814.3843          802.5632                                                                   
-   890    49.0821    782(27)           814.1785          802.4837                                                                   
-   891    49.1319    748(27)           813.9937          802.4047                                                                   
-   892    49.1820    700(26)           813.8273          802.3251                                                                   
-   893    49.2321    776(27)           813.6807          802.2455                                                                   
-   894    49.2820    764(27)           813.5538          802.1661                                                                   
-   895    49.3255    796(27)           813.4588          802.0968                                                                   
-   896    49.3756    785(27)           813.3679          802.0170                                                                   
-   897    49.4257    752(26)           813.2968          801.9374                                                                   
-   898    49.4758    768(27)           813.2458          801.8576                                                                   
-   899    49.5258    776(27)           813.2153          801.7780                                                                   
-   900    49.5757    766(27)           813.2059          801.6984                                                                   
-   901    49.6258    723(26)           813.2181          801.6186                                                                   
-   902    49.6758    787(27)           813.2530          801.5389                                                                   
-   903    49.7259    759(27)           813.3116          801.4591                                                                   
-   904    49.7757    789(27)           813.3946          801.3796                                                                   
-   905    49.8257    823(28)           813.5040          801.2999                                                                   
-   906    49.8758    859(28)           813.6413          801.2200                                                                   
-   907    49.9257    774(27)           814.4983          801.1404                                                                   
-   908    49.9757    791(27)           814.7061          801.0606                                                                   
-   909    50.0257    818(28)           814.9480          800.9809                                                                   
-   910    50.0756    856(28)           815.2268          800.9012                                                                   
-   911    50.1255    806(28)           815.5456          800.8215                                                                   
-   912    50.1755    808(27)           815.9084          800.7418                                                                   
-   913    50.2255    792(27)           816.3199          800.6619                                                                   
-   914    50.2755    800(27)           816.7836          800.5822                                                                   
-   915    50.3254    833(28)           817.3051          800.5026                                                                   
-   916    50.3752    814(28)           817.8888          800.4230                                                                   
-   917    50.4253    768(27)           818.5480          800.3430                                                                   
-   918    50.4753    793(27)           819.2879          800.2631                                                                   
-   919    50.5252    820(28)           820.1156          800.1834                                                                   
-   920    50.5557    813(29)           820.6701          800.1348                                                                   
-   921    50.6058    793(28)           821.6752          800.0549                                                                   
-   922    50.6559    764(28)           822.8115          799.9749                                                                   
-   923    50.7060    763(28)           824.1080          799.8950                                                                   
-   924    50.7559    809(29)           825.6007          799.8151                                                                   
-   925    50.8059    800(29)           827.3630          799.7355                                                                   
-   926    50.8559    825(29)           829.5162          799.6555                                                                   
-   927    50.9060    832(29)           832.2611          799.5756                                                                   
-   928    50.9560    792(29)           835.9541          799.4958                                                                   
-   929    51.0059    830(29)           841.1769          799.4162                                                                   
-   930    51.0559    885(30)           848.9512          799.3364                                                                   
-   931    51.1060    854(30)           860.8524          799.2565                                                                   
-   932    51.1559    904(31)           879.1812          799.1769                                                                   
-   933    51.2059    887(30)           907.5056          799.0971                                                                   
-   934    51.2558    992(32)           950.4855          799.0174                                                                   
-   935    51.3058    1108(34)          1014.2585          798.9379                                                                  
-   936    51.3557    1174(35)          1106.2740          798.8583                                                                  
-   937    51.4056    1333(38)          1234.9537          798.7786                                                                  
-   938    51.4557    1432(39)          1408.8199          798.6989                                                                  
-   939    51.5056    1682(43)          1634.4558          798.6192                                                                  
-   940    51.5556    1962(46)          1915.7937          798.5397                                                                  
-   941    51.6053    2235(50)          2250.8633          798.4604                                                                  
-   942    51.6554    2697(55)          2635.7515          798.3807                                                                  
-   943    51.7055    3249(61)          3053.5793          798.3010                                                                  
-   944    51.7554    3732(66)          3480.6179          798.2216                                                                  
-   945    51.8214    4413(72)          4012.7964          798.1165                                                                  
-   946    51.8715    4663(74)          4348.9150          798.0369                                                                  
-   947    51.9216    4566(73)          4590.1694          797.9573                                                                  
-   948    51.9717    4770(75)          4710.6621          797.8776                                                                  
-   949    52.0217    4541(73)          4696.2173          797.7982                                                                  
-   950    52.0716    4488(72)          4549.0215          797.7189                                                                  
-   951    52.1217    4193(69)          4285.5137          797.6394                                                                  
-   952    52.1717    3766(65)          3934.1572          797.5600                                                                  
-   953    52.2218    3434(62)          3527.8997          797.4807                                                                  
-   954    52.2716    3032(58)          3101.5857          797.4016                                                                  
-   955    52.3216    2652(54)          2681.4673          797.3223                                                                  
-   956    52.3717    2224(49)          2291.6829          797.2429                                                                  
-   957    52.4216    1877(44)          1949.7637          797.1639                                                                  
-   958    52.4716    1635(41)          1661.4258          797.0847                                                                  
-   959    52.5216    1400(38)          1429.6163          797.0057                                                                  
-   960    52.5715    1284(36)          1250.3021          796.9266                                                                  
-   961    52.6214    1151(34)          1116.8175          796.8477                                                                  
-   962    52.6714    943(31)          1020.8082          796.7688                                                                   
-   963    52.7214    942(31)           953.9021          796.6898                                                                   
-   964    52.7714    875(30)           908.7397          796.6108                                                                   
-   965    52.8213    881(30)           878.8940          796.5320                                                                   
-   966    52.8711    817(29)           859.4941          796.4535                                                                   
-   967    52.9212    841(29)           846.8060          796.3746                                                                   
-   968    52.9712    770(28)           838.4686          796.2957                                                                   
-   969    53.0211    775(28)           832.8362          796.2172                                                                   
-   970    53.0919    787(30)           827.4832          796.1057                                                                   
-   971    53.1420    839(30)           824.7651          796.0270                                                                   
-   972    53.1921    798(30)           822.5685          795.9482                                                                   
-   973    53.2422    754(29)           820.7159          795.8696                                                                   
-   974    53.2922    819(30)           819.1127          795.7911                                                                   
-   975    53.3421    783(29)           817.6946          795.7128                                                                   
-   976    53.3922    803(30)           816.4232          795.6343                                                                   
-   977    53.4422    747(29)           815.2774          795.5559                                                                   
-   978    53.4923    770(29)           814.2393          795.4775                                                                   
-   979    53.5421    745(29)           813.2986          795.3997                                                                   
-   980    53.5921    781(29)           812.4382          795.3214                                                                   
-   981    53.6422    786(29)           811.6510          795.2432                                                                   
-   982    53.6921    816(30)           810.9333          795.1653                                                                   
-   983    53.7421    779(29)           810.2737          795.0872                                                                   
-   984    53.7921    787(29)           809.6689          795.0093                                                                   
-   985    53.8420    760(29)           809.1138          794.9315                                                                   
-   986    53.8919    810(30)           808.6036          794.8538                                                                   
-   987    53.9419    805(30)           808.1342          794.7761                                                                   
-   988    53.9919    772(29)           807.7019          794.6984                                                                   
-   989    54.0419    803(30)           807.3052          794.6207                                                                   
-   990    54.0918    758(29)           805.9083          794.5433                                                                   
-   991    54.1416    776(29)           805.5886          794.4661                                                                   
-   992    54.1917    748(29)           805.2951          794.3884                                                                   
-   993    54.2417    779(29)           805.0286          794.3110                                                                   
-   994    54.2916    746(29)           804.7880          794.2338                                                                   
-   995    54.3250    738(28)           804.6403          794.1821                                                                   
-   996    54.3751    793(29)           804.4382          794.1047                                                                   
-   997    54.4252    723(28)           804.2589          794.0275                                                                   
-   998    54.4753    776(28)           804.1010          793.9503                                                                   
-   999    54.5252    817(29)           803.9648          793.8733                                                                   
-  1000    54.5752    770(29)           803.8492          793.7964                                                                   
-  1001    54.6253    721(27)           803.7537          793.7194                                                                   
-  1002    54.6753    741(28)           803.6785          793.6425                                                                   
-  1003    54.7253    781(29)           803.6235          793.5657                                                                   
-  1004    54.7752    769(29)           803.5890          793.4892                                                                   
-  1005    54.8252    764(28)           803.5749          793.4126                                                                   
-  1006    54.8753    800(29)           803.5817          793.3359                                                                   
-  1007    54.9252    749(28)           803.6098          793.2597                                                                   
-  1008    54.9752    737(28)           803.6601          793.1832                                                                   
-  1009    55.0252    796(29)           803.7332          793.1071                                                                   
-  1010    55.0751    792(29)           803.8301          793.0309                                                                   
-  1011    55.1250    737(28)           803.9520          792.9550                                                                   
-  1012    55.1750    761(28)           804.1003          792.8789                                                                   
-  1013    55.2250    808(29)           804.2770          792.8029                                                                   
-  1014    55.2750    789(29)           804.4832          792.7270                                                                   
-  1015    55.3249    797(29)           804.7212          792.6513                                                                   
-  1016    55.3747    727(28)           804.9925          792.5759                                                                   
-  1017    55.4248    817(29)           805.3028          792.5001                                                                   
-  1018    55.4748    795(29)           805.6532          792.4244                                                                   
-  1019    55.5247    785(29)           806.0463          792.3491                                                                   
-  1020    55.5572    740(26)           806.3276          792.3001                                                                   
-  1021    55.6073    807(27)           806.8044          792.2246                                                                   
-  1022    55.6574    819(27)           807.3370          792.1492                                                                   
-  1023    55.7075    805(27)           807.9323          792.0739                                                                   
-  1024    55.7574    802(27)           808.5949          791.9988                                                                   
-  1025    55.8074    803(27)           809.3347          791.9239                                                                   
-  1026    55.8575    828(28)           810.1621          791.8490                                                                   
-  1027    55.9075    876(28)           811.0863          791.7741                                                                   
-  1028    55.9575    833(28)           812.1205          791.6993                                                                   
-  1029    56.0074    844(28)           813.2765          791.6249                                                                   
-  1030    56.0574    915(29)           814.5827          791.5503                                                                   
-  1031    56.1075    885(29)           816.0657          791.4758                                                                   
-  1032    56.1574    911(29)           817.7589          791.4016                                                                   
-  1033    56.2074    887(29)           819.7420          791.3272                                                                   
-  1034    56.2573    928(29)           822.1227          791.2532                                                                   
-  1035    56.3073    893(29)           825.1052          791.1792                                                                   
-  1036    56.3572    913(29)           829.0435          791.1053                                                                   
-  1037    56.4072    920(29)           834.5565          791.0316                                                                   
-  1038    56.4572    912(29)           842.6921          790.9577                                                                   
-  1039    56.5072    957(30)           855.1050          790.8842                                                                   
-  1040    56.5571    979(30)           874.3981          790.8107                                                                   
-  1041    56.6069    1001(31)           904.2847          790.7375                                                                  
-  1042    56.6570    1043(31)           950.4769          790.6640                                                                  
-  1043    56.7070    1154(33)          1019.9178          790.5906                                                                  
-  1044    56.7569    1202(34)          1120.9952          790.5176                                                                  
-  1045    56.8134    1344(38)          1286.0850          790.4351                                                                  
-  1046    56.8635    1446(39)          1488.4050          790.3620                                                                  
-  1047    56.9136    1759(44)          1751.5493          790.2891                                                                  
-  1048    56.9637    2118(48)          2079.5942          790.2162                                                                  
-  1049    57.0136    2533(53)          2468.9282          790.1437                                                                  
-  1050    57.0636    3056(59)          2909.9019          790.0711                                                                  
-  1051    57.1137    3709(66)          3383.6304          789.9987                                                                  
-  1052    57.1637    4177(70)          3860.4194          789.9263                                                                  
-  1053    57.2137    4824(76)          4304.4663          789.8541                                                                  
-  1054    57.2636    5020(78)          4674.8389          789.7822                                                                  
-  1055    57.3136    5129(79)          4935.7676          789.7102                                                                  
-  1056    57.3637    4974(77)          5055.6816          789.6383                                                                  
-  1057    57.4136    4835(76)          5019.4053          789.5667                                                                  
-  1058    57.4636    4702(75)          4831.7427          789.4950                                                                  
-  1059    57.5135    4411(72)          4515.8198          789.4236                                                                  
-  1060    57.5635    4139(69)          4106.6162          789.3523                                                                  
-  1061    57.6134    3626(64)          3643.7222          789.2811                                                                  
-  1062    57.6633    3150(59)          3164.9890          789.2100                                                                  
-  1063    57.7134    2560(53)          2702.6885          789.1390                                                                  
-  1064    57.7634    2165(48)          2283.0483          789.0681                                                                  
-  1065    57.8133    1948(46)          1921.1075          788.9973                                                                  
-  1066    57.8631    1600(41)          1624.1536          788.9269                                                                  
-  1067    57.9131    1356(38)          1388.8154          788.8563                                                                  
-  1068    57.9632    1244(36)          1211.2365          788.7857                                                                  
-  1069    58.0131    1110(34)          1082.6243          788.7155                                                                  
-  1070    58.0747    960(31)           975.8055          788.6290                                                                   
-  1071    58.1248    848(29)           919.8835          788.5589                                                                   
-  1072    58.1749    805(28)           883.1447          788.4888                                                                   
-  1073    58.2250    829(28)           859.3719          788.4189                                                                   
-  1074    58.2749    778(28)           844.1043          788.3493                                                                   
-  1075    58.3249    800(28)           834.1353          788.2798                                                                   
-  1076    58.3750    812(28)           827.4136          788.2103                                                                   
-  1077    58.4250    766(27)           822.6687          788.1409                                                                   
-  1078    58.4750    790(28)           819.1155          788.0717                                                                   
-  1079    58.5249    781(28)           816.3068          788.0028                                                                   
-  1080    58.5749    804(28)           813.9634          787.9339                                                                   
-  1081    58.6250    776(27)           811.9445          787.8651                                                                   
-  1082    58.6749    790(28)           810.1745          787.7964                                                                   
-  1083    58.7249    796(28)           808.5887          787.7280                                                                   
-  1084    58.7748    825(28)           807.1611          787.6596                                                                   
-  1085    58.8248    826(28)           805.8660          787.5915                                                                   
-  1086    58.8747    797(28)           804.6856          787.5234                                                                   
-  1087    58.9246    835(28)           803.6046          787.4555                                                                   
-  1088    58.9747    793(28)           802.6104          787.3876                                                                   
-  1089    59.0246    853(29)           801.6963          787.3199                                                                   
-  1090    59.0746    825(28)           800.8525          787.2524                                                                   
-  1091    59.1244    817(28)           800.0739          787.1853                                                                   
-  1092    59.1744    797(28)           799.3461          787.1179                                                                   
-  1093    59.2245    827(28)           798.6693          787.0507                                                                   
-  1094    59.2744    820(28)           798.0400          786.9837                                                                   
-  1095    59.3232    783(28)           797.4639          786.9184                                                                   
-  1096    59.3733    778(28)           796.9095          786.8514                                                                   
-  1097    59.4234    800(28)           796.3896          786.7847                                                                   
-  1098    59.4735    844(29)           795.9003          786.7181                                                                   
-  1099    59.5235    807(28)           795.4404          786.6519                                                                   
-  1100    59.5734    827(28)           795.0060          786.5857                                                                   
-  1101    59.6235    781(28)           794.5943          786.5196                                                                   
-  1102    59.6735    817(28)           794.2044          786.4537                                                                   
-  1103    59.7236    817(28)           793.2435          786.3878                                                                   
-  1104    59.7734    786(28)           792.9005          786.3224                                                                   
-  1105    59.8234    746(27)           792.5730          786.2569                                                                   
-  1106    59.8735    839(29)           792.2605          786.1915                                                                   
-  1107    59.9234    799(28)           791.9636          786.1265                                                                   
-  1108    59.9734    766(27)           791.6789          786.0614                                                                   
-  1109    60.0234    811(28)           791.4070          785.9966                                                                   
-  1110    60.0733    825(28)           791.1463          785.9319                                                                   
-  1111    60.1232    789(28)           790.8962          785.8674                                                                   
-  1112    60.1732    765(27)           790.6561          785.8031                                                                   
-  1113    60.2232    796(28)           790.4246          785.7388                                                                   
-  1114    60.2732    760(27)           790.2021          785.6747                                                                   
-  1115    60.3231    798(28)           789.9877          785.6108                                                                   
-  1116    60.3729    788(28)           789.7815          785.5472                                                                   
-  1117    60.4230    772(28)           789.5811          785.4836                                                                   
-  1118    60.4730    786(28)           789.3874          785.4199                                                                   
-  1119    60.5229    808(28)           789.2004          785.3566                                                                   
-  1120    60.5632    764(27)           789.0540          785.3058                                                                   
-  1121    60.6133    794(28)           788.8766          785.2426                                                                   
-  1122    60.6634    764(27)           788.7048          785.1796                                                                   
-  1123    60.7135    786(28)           788.5377          785.1166                                                                   
-  1124    60.7634    793(28)           788.3757          785.0541                                                                   
-  1125    60.8134    825(29)           788.2183          784.9918                                                                   
-  1126    60.8634    755(27)           788.0648          784.9294                                                                   
-  1127    60.9135    762(28)           787.9151          784.8672                                                                   
-  1128    60.9635    835(29)           787.7692          784.8052                                                                   
-  1129    61.0134    758(27)           787.6274          784.7435                                                                   
-  1130    61.0634    785(28)           787.4886          784.6818                                                                   
-  1131    61.1135    764(27)           787.3528          784.6203                                                                   
-  1132    61.1634    775(28)           787.2206          784.5591                                                                   
-  1133    61.2134    725(26)           787.0910          784.4980                                                                   
-  1134    61.2633    802(28)           786.9642          784.4370                                                                   
-  1135    61.3133    806(28)           786.8402          784.3763                                                                   
-  1136    61.3632    787(28)           786.7186          784.3157                                                                   
-  1137    61.4131    793(28)           786.5995          784.2553                                                                   
-  1138    61.4632    790(28)           786.4824          784.1949                                                                   
-  1139    61.5131    811(28)           786.3676          784.1348                                                                   
-  1140    61.5631    746(27)           786.2549          784.0748                                                                   
-  1141    61.6128    819(29)           786.1448          784.0154                                                                   
-  1142    61.6629    771(28)           786.0358          783.9555                                                                   
-  1143    61.7130    709(26)           785.9288          783.8961                                                                   
-  1144    61.7629    797(28)           785.8239          783.8369                                                                   
-  1145    61.8027    807(32)           785.7413          783.7897                                                                   
-  1146    61.8528    817(33)           785.6389          783.7305                                                                   
-  1147    61.9028    784(32)           785.5383          783.6717                                                                   
-  1148    61.9530    785(33)           785.4390          783.6129                                                                   
-  1149    62.0029    794(33)           785.3415          783.5544                                                                   
-  1150    62.0529    843(34)           785.2454          783.4962                                                                   
-  1151    62.1029    816(33)           785.1505          783.4379                                                                   
-  1152    62.1530    765(32)           785.0569          783.3799                                                                   
-  1153    62.2030    823(33)           784.9646          783.3221                                                                   
-  1154    62.2529    825(33)           784.8738          783.2646                                                                   
-  1155    62.3029    792(32)           784.7840          783.2072                                                                   
-  1156    62.3530    791(33)           784.6952          783.1498                                                                   
-  1157    62.4028    792(32)           784.6078          783.0928                                                                   
-  1158    62.4529    828(32)           784.5213          783.0359                                                                   
-  1159    62.5028    859(34)           784.4359          782.9792                                                                   
-  1160    62.5527    784(33)           784.3516          782.9227                                                                   
-  1161    62.6027    792(32)           784.2682          782.8665                                                                   
-  1162    62.6526    818(32)           784.1857          782.8102                                                                   
-  1163    62.7027    837(34)           784.1041          782.7543                                                                   
-  1164    62.7526    794(32)           784.0234          782.6985                                                                   
-  1165    62.8026    805(33)           783.9437          782.6429                                                                   
-  1166    62.8523    773(32)           783.8649          782.5877                                                                   
-  1167    62.9024    816(33)           783.7866          782.5323                                                                   
-  1168    62.9525    842(33)           783.7091          782.4772                                                                   
-  1169    63.0024    741(31)           783.6326          782.4224                                                                   
-  1170    63.0446    747(34)           783.5685          782.3762                                                                   
-  1171    63.0947    776(34)           783.4930          782.3215                                                                   
-  1172    63.1447    804(35)           783.4183          782.2669                                                                   
-  1173    63.1948    792(35)           783.3444          782.2127                                                                   
-  1174    63.2448    830(35)           783.2712          782.1587                                                                   
-  1175    63.2948    811(35)           783.1989          782.1049                                                                   
-  1176    63.3448    857(35)           783.1269          782.0512                                                                   
-  1177    63.3949    835(35)           783.0557          781.9977                                                                   
-  1178    63.4449    941(38)           782.9850          781.9444                                                                   
-  1179    63.4948    831(35)           782.9152          781.8915                                                                   
-  1180    63.5448    849(36)           782.8459          781.8386                                                                   
-  1181    63.5949    865(36)           782.7770          781.7859                                                                   
-  1182    63.6447    855(36)           782.7089          781.7334                                                                   
-  1183    63.6948    922(38)           782.6412          781.6812                                                                   
-  1184    63.7447    945(38)           782.5742          781.6290                                                                   
-  1185    63.7946    907(37)           782.5078          781.5772                                                                   
-  1186    63.8446    953(37)           782.4418          781.5255                                                                   
-  1187    63.8945    891(36)           782.3764          781.4741                                                                   
-  1188    63.9446    916(37)           782.3113          781.4227                                                                   
-  1189    63.9945    898(36)           782.2469          781.3716                                                                   
-  1190    64.0445    947(38)           782.1829          781.3207                                                                   
-  1191    64.0942    970(39)           782.1197          781.2701                                                                   
-  1192    64.1443    845(36)           782.0565          781.2195                                                                   
-  1193    64.1944    857(36)           781.9939          781.1691                                                                   
-  1194    64.2443    855(36)           781.9319          781.1190                                                                   
-  1195    64.2843    880(32)           781.8826          781.0790                                                                   
-  1196    64.3344    869(32)           781.8211          781.0291                                                                   
-  1197    64.3845    834(31)           781.7601          780.9794                                                                   
-  1198    64.4346    801(30)           781.6996          780.9299                                                                   
-  1199    64.4846    834(31)           781.6396          780.8807                                                                   
-  1200    64.5345    790(30)           781.5802          780.8317                                                                   
-  1201    64.5846    803(30)           781.5209          780.7828                                                                   
-  1202    64.6346    785(30)           781.4623          780.7343                                                                   
-  1203    64.6846    820(31)           781.4039          780.6858                                                                   
-  1204    64.7345    775(30)           781.3461          780.6377                                                                   
-  1205    64.7845    750(29)           781.2886          780.5897                                                                   
-  1206    64.8346    732(29)           781.2313          780.5417                                                                   
-  1207    64.8845    711(29)           780.4944          780.4943                                                                   
-  1208    64.9345    744(29)           780.4470          780.4470                                                                   
-  1209    64.9845    783(30)           780.3999          780.3998                                                                   
-  1210    65.0344    715(29)           780.3529          780.3528                                                                   
-  1211    65.0843    766(30)           780.3063          780.3062                                                                   
-  1212    65.1343    788(30)           787.4801          780.2597                                                                   
-  1213    65.1843    796(30)           787.5403          780.2133                                                                   
-  1214    65.2343    811(31)           787.6030          780.1671                                                                   
-  1215    65.2842    737(29)           787.6683          780.1213                                                                   
-  1216    65.3340    765(29)           787.7361          780.0757                                                                   
-  1217    65.3841    795(30)           787.8070          780.0301                                                                   
-  1218    65.4341    772(30)           787.8809          779.9847                                                                   
-  1219    65.4840    791(30)           787.9575          779.9397                                                                   
-  1220    65.5297    721(28)           788.0303          779.8987                                                                   
-  1221    65.5798    747(28)           788.1132          779.8539                                                                   
-  1222    65.6299    721(27)           788.1991          779.8093                                                                   
-  1223    65.6800    726(28)           788.2886          779.7651                                                                   
-  1224    65.7299    733(28)           788.3810          779.7209                                                                   
-  1225    65.7799    743(28)           788.4772          779.6771                                                                   
-  1226    65.8300    722(28)           788.5771          779.6335                                                                   
-  1227    65.8800    695(27)           788.6807          779.5900                                                                   
-  1228    65.9300    743(28)           788.7882          779.5468                                                                   
-  1229    65.9799    698(27)           788.8993          779.5038                                                                   
-  1230    66.0299    741(28)           789.0149          779.4611                                                                   
-  1231    66.0800    702(27)           789.1348          779.4184                                                                   
-  1232    66.1299    719(28)           789.2587          779.3762                                                                   
-  1233    66.1799    750(28)           789.3875          779.3340                                                                   
-  1234    66.2299    727(28)           789.5207          779.2922                                                                   
-  1235    66.2798    729(28)           789.6587          779.2505                                                                   
-  1236    66.3297    744(28)           789.8016          779.2091                                                                   
-  1237    66.3797    720(28)           789.9500          779.1679                                                                   
-  1238    66.4297    733(28)           790.1038          779.1268                                                                   
-  1239    66.4797    682(27)           790.2631          779.0860                                                                   
-  1240    66.5296    733(28)           790.4280          779.0453                                                                   
-  1241    66.5794    720(27)           790.5985          779.0052                                                                   
-  1242    66.6295    759(28)           790.7764          778.9650                                                                   
-  1243    66.6795    696(27)           790.9610          778.9250                                                                   
-  1244    66.7294    727(28)           791.1520          778.8853                                                                   
-  1245    66.7876    708(27)           791.3842          778.8394                                                                   
-  1246    66.8377    732(28)           791.5927          778.8000                                                                   
-  1247    66.8878    734(28)           791.8094          778.7610                                                                   
-  1248    66.9379    707(27)           792.0345          778.7220                                                                   
-  1249    66.9878    690(27)           792.2682          778.6836                                                                   
-  1250    67.0378    735(28)           792.5105          778.6452                                                                   
-  1251    67.0879    727(28)           792.7622          778.6070                                                                   
-  1252    67.1379    789(29)           793.0225          778.5691                                                                   
-  1253    67.1879    778(29)           793.2912          778.5314                                                                   
-  1254    67.2378    725(28)           793.5674          778.4941                                                                   
-  1255    67.2878    739(28)           793.8527          778.4568                                                                   
-  1256    67.3379    787(29)           794.1470          778.4198                                                                   
-  1257    67.3878    753(28)           794.4489          778.3831                                                                   
-  1258    67.4378    803(29)           794.7617          778.3465                                                                   
-  1259    67.4877    769(28)           795.0848          778.3102                                                                   
-  1260    67.5377    876(30)           795.4199          778.2742                                                                   
-  1261    67.5876    866(30)           795.7681          778.2384                                                                   
-  1262    67.6376    839(30)           796.1302          778.2028                                                                   
-  1263    67.6876    836(30)           796.5083          778.1674                                                                   
-  1264    67.7375    857(30)           796.9014          778.1322                                                                   
-  1265    67.7875    805(29)           797.3112          778.0973                                                                   
-  1266    67.8373    861(30)           797.7365          778.0628                                                                   
-  1267    67.8873    839(30)           798.1823          778.0282                                                                   
-  1268    67.9374    812(29)           798.6467          777.9938                                                                   
-  1269    67.9873    842(30)           799.1291          777.9600                                                                   
-  1270    68.0510    784(30)           799.7748          777.9169                                                                   
-  1271    68.1012    799(30)           800.3064          777.8834                                                                   
-  1272    68.1512    728(29)           800.8604          777.8501                                                                   
-  1273    68.2013    813(31)           801.4384          777.8170                                                                   
-  1274    68.2513    775(30)           802.0394          777.7842                                                                   
-  1275    68.3012    743(29)           802.6666          777.7516                                                                   
-  1276    68.3513    750(29)           803.3226          777.7194                                                                   
-  1277    68.4013    761(30)           804.0076          777.6873                                                                   
-  1278    68.4514    762(30)           804.7233          777.6553                                                                   
-  1279    68.5012    779(30)           805.4684          777.6238                                                                   
-  1280    68.5513    760(30)           806.2503          777.5924                                                                   
-  1281    68.6013    739(29)           807.0696          777.5613                                                                   
-  1282    68.6512    761(30)           807.9240          777.5304                                                                   
-  1283    68.7012    740(29)           808.8215          777.4998                                                                   
-  1284    68.7512    752(30)           809.7610          777.4694                                                                   
-  1285    68.8011    729(29)           810.7459          777.4392                                                                   
-  1286    68.8510    751(29)           811.7795          777.4093                                                                   
-  1287    68.9010    735(29)           812.8652          777.3796                                                                   
-  1288    68.9510    758(30)           814.0084          777.3501                                                                   
-  1289    69.0010    657(27)           815.2096          777.3209                                                                   
-  1290    69.0509    746(29)           816.4723          777.2920                                                                   
-  1291    69.1007    712(29)           817.7980          777.2634                                                                   
-  1292    69.1508    719(29)           819.2039          777.2348                                                                   
-  1293    69.2008    697(28)           820.6865          777.2065                                                                   
-  1294    69.2507    716(29)           822.2474          777.1785                                                                   
-  1295    69.3190    707(28)           824.5280          777.1406                                                                   
-  1296    69.3691    657(27)           826.3171          777.1131                                                                   
-  1297    69.4192    664(27)           828.2109          777.0859                                                                   
-  1298    69.4693    700(28)           830.2208          777.0588                                                                   
-  1299    69.5193    690(28)           832.3474          777.0321                                                                   
-  1300    69.5692    702(28)           834.6092          777.0057                                                                   
-  1301    69.6193    669(28)           837.0186          776.9794                                                                   
-  1302    69.6693    736(29)           839.5851          776.9534                                                                   
-  1303    69.7194    678(28)           842.3209          776.9277                                                                   
-  1304    69.7692    724(29)           845.2333          776.9022                                                                   
-  1305    69.8192    699(28)           848.3573          776.8770                                                                   
-  1306    69.8693    688(28)           855.9245          776.8519                                                                   
-  1307    69.9192    720(29)           859.5668          776.8272                                                                   
-  1308    69.9692    685(28)           863.4878          776.8027                                                                   
-  1309    70.0192    732(29)           867.6956          776.7784                                                                   
-  1310    70.0691    686(28)           872.2255          776.7545                                                                   
-  1311    70.1190    707(28)           877.1108          776.7307                                                                   
-  1312    70.1690    754(29)           882.3965          776.7072                                                                   
-  1313    70.2190    719(29)           888.1322          776.6838                                                                   
-  1314    70.2690    679(28)           894.3471          776.6608                                                                   
-  1315    70.3189    737(29)           901.1058          776.6381                                                                   
-  1316    70.3687    725(29)           908.4495          776.6157                                                                   
-  1317    70.4188    768(30)           916.5283          776.5933                                                                   
-  1318    70.4688    750(29)           925.3762          776.5713                                                                   
-  1319    70.5187    800(30)           935.0713          776.5496                                                                   
-  1320    70.5528    830(29)           942.2563          776.5349                                                                   
-  1321    70.6029    876(30)           953.7490          776.5134                                                                   
-  1322    70.6530    923(31)           966.4858          776.4923                                                                   
-  1323    70.7031    929(31)           980.6722          776.4714                                                                   
-  1324    70.7531    1054(33)           996.5051          776.4509                                                                  
-  1325    70.8030    1002(32)          1014.3518          776.4305                                                                  
-  1326    70.8531    1084(33)          1034.7446          776.4104                                                                  
-  1327    70.9031    1126(34)          1058.4260          776.3905                                                                  
-  1328    70.9532    1205(35)          1086.7544          776.3709                                                                  
-  1329    71.0030    1324(37)          1122.0472          776.3516                                                                  
-  1330    71.0530    1360(38)          1169.0066          776.3326                                                                  
-  1331    71.1031    1384(38)          1235.6250          776.3137                                                                  
-  1332    71.1530    1489(39)          1335.2864          776.2952                                                                  
-  1333    71.2030    1593(41)          1491.5337          776.2768                                                                  
-  1334    71.2530    1703(43)          1739.7819          776.2587                                                                  
-  1335    71.3029    1950(46)          2133.5610          776.2410                                                                  
-  1336    71.3528    2244(50)          2745.7112          776.2234                                                                  
-  1337    71.4028    2741(56)          3670.9189          776.2061                                                                  
-  1338    71.4528    3668(67)          5021.2246          776.1891                                                                  
-  1339    71.5028    5264(84)          6902.8350          776.1724                                                                  
-  1340    71.5527    7505(106)          9409.9883          776.1558                                                                 
-  1341    71.6025    11056(134)         12574.0605          776.1396                                                                
-  1342    71.6526    15992(171)         16400.3809          776.1235                                                                
-  1343    71.7026    22022(213)         20731.9355          776.1077                                                                
-  1344    71.7525    28025(255)         25310.2559          776.0923                                                                
-  1345    71.7836    36873(285)         28143.0840          776.0828                                                                
-  1346    71.8337    39953(305)         32373.3047          776.0677                                                                
-  1347    71.8838    41578(315)         35787.5977          776.0528                                                                
-  1348    71.9339    41902(316)         37954.7500          776.0382                                                                
-  1349    71.9839    41165(311)         38557.4727          776.0239                                                                
-  1350    72.0338    39283(299)         37511.4688          776.0099                                                                
-  1351    72.0839    36679(283)         34969.6445          775.9961                                                                
-  1352    72.1339    32951(260)         31292.3848          775.9825                                                                
-  1353    72.1840    27842(227)         26926.3438          775.9693                                                                
-  1354    72.2338    22508(194)         22338.7715          775.9563                                                                
-  1355    72.2838    17174(160)         17884.1426          775.9435                                                                
-  1356    72.3339    13096(134)         13858.5859          775.9310                                                                
-  1357    72.3838    10457(116)         10454.4482          775.9188                                                                
-  1358    72.4338    8174(100)          7710.5298          775.9069                                                                 
-  1359    72.4838    6213(84)          5618.7007          775.8952                                                                  
-  1360    72.5337    4586(70)          4096.8169          775.8839                                                                  
-  1361    72.5836    3307(58)          3036.2544          775.8727                                                                  
-  1362    72.6336    2403(48)          2325.1675          775.8617                                                                  
-  1363    72.6836    1908(42)          1863.5283          775.8511                                                                  
-  1364    72.7336    1557(38)          1571.5898          775.8407                                                                  
-  1365    72.7835    1441(36)          1388.5979          775.8306                                                                  
-  1366    72.8333    1326(35)          1272.9952          775.8208                                                                  
-  1367    72.8834    1215(33)          1196.9724          775.8111                                                                  
-  1368    72.9334    1113(32)          1144.6842          775.8019                                                                  
-  1369    72.9833    1069(31)          1106.4177          775.7928                                                                  
-  1370    73.0496    991(31)          1067.9745          775.7812                                                                   
-  1371    73.0997    1095(32)          1044.6938          775.7727                                                                  
-  1372    73.1498    1056(32)          1024.7688          775.7645                                                                  
-  1373    73.1999    1022(31)          1007.3733          775.7565                                                                  
-  1374    73.2498    1033(31)           992.0771          775.7490                                                                  
-  1375    73.2998    1008(31)           978.4880          775.7416                                                                  
-  1376    73.3499    971(31)           966.3450          775.7343                                                                   
-  1377    73.3999    993(31)           955.4874          775.7275                                                                   
-  1378    73.4500    933(30)           945.7494          775.7209                                                                   
-  1379    73.4998    1002(31)           937.0272          775.7147                                                                  
-  1380    73.5498    1069(32)           929.1530          775.7086                                                                  
-  1381    73.5999    993(31)           922.0518          775.7028                                                                   
-  1382    73.6498    1015(31)           915.6782          775.6973                                                                  
-  1383    73.6998    1002(31)           909.9145          775.6921                                                                  
-  1384    73.7498    1113(33)           904.7273          775.6871                                                                  
-  1385    73.7997    1072(32)           900.0602          775.6824                                                                  
-  1386    73.8496    1037(31)           895.8658          775.6780                                                                  
-  1387    73.8996    1046(32)           892.1038          775.6738                                                                  
-  1388    73.9496    1102(32)           888.7382          775.6699                                                                  
-  1389    73.9996    1060(32)           885.7530          775.6663                                                                  
-  1390    74.0495    1075(32)           883.1193          775.6629                                                                  
-  1391    74.0993    1049(32)           880.8215          775.6598                                                                  
-  1392    74.1494    1075(32)           878.8225          775.6570                                                                  
-  1393    74.1994    1046(32)           877.1251          775.6544                                                                  
-  1394    74.2493    1031(31)           875.7213          775.6522                                                                  
-  1395    74.2892    955(31)           874.8000          775.6506                                                                   
-  1396    74.3393    1029(32)           873.8906          775.6487                                                                  
-  1397    74.3894    915(30)           873.2545          775.6472                                                                   
-  1398    74.4395    930(31)           872.8890          775.6459                                                                   
-  1399    74.4894    1001(32)           872.7959          775.6450                                                                  
-  1400    74.5394    907(30)           873.1448          775.6442                                                                   
-  1401    74.5895    925(31)           873.6113          775.6438                                                                   
-  1402    74.6395    921(30)           874.3682          775.6436                                                                   
-  1403    74.6895    891(30)           875.4287          775.6437                                                                   
-  1404    74.7394    932(31)           876.8024          775.6440                                                                   
-  1405    74.7894    927(31)           878.5169          775.6448                                                                   
-  1406    74.8395    897(30)           880.5961          775.6457                                                                   
-  1407    74.8894    878(30)           883.0533          775.6469                                                                   
-  1408    74.9394    916(30)           885.9398          775.6483                                                                   
-  1409    74.9893    962(31)           889.2843          775.6501                                                                   
-  1410    75.0393    978(31)           893.1343          775.6521                                                                   
-  1411    75.0892    971(31)           897.5476          775.6544                                                                   
-  1412    75.1392    1012(32)           902.5937          775.6569                                                                  
-  1413    75.1892    990(32)           908.3586          775.6598                                                                   
-  1414    75.2392    1022(32)           914.9222          775.6629                                                                  
-  1415    75.2891    1044(33)           922.4037          775.6663                                                                  
-  1416    75.3389    1032(32)           930.9222          775.6699                                                                  
-  1417    75.3890    1086(33)           940.7698          775.6738                                                                  
-  1418    75.4390    1078(33)           952.1931          775.6780                                                                  
-  1419    75.4889    1153(34)           965.6191          775.6826                                                                  
-  1420    75.5254    1142(33)           977.1686          775.6860                                                                  
-  1421    75.5755    1240(35)           996.5484          775.6910                                                                  
-  1422    75.6255    1245(35)          1022.2245          775.6962                                                                  
-  1423    75.6756    1279(35)          1058.6270          775.7018                                                                  
-  1424    75.7256    1348(36)          1113.3066          775.7075                                                                  
-  1425    75.7756    1351(36)          1199.3944          775.7136                                                                  
-  1426    75.8256    1383(37)          1338.1372          775.7200                                                                  
-  1427    75.8756    1598(39)          1560.8232          775.7266                                                                  
-  1428    75.9257    1689(41)          1911.8230          775.7335                                                                  
-  1429    75.9755    1907(43)          2445.6528          775.7407                                                                  
-  1430    76.0256    2605(52)          3231.6602          775.7480                                                                  
-  1431    76.0756    3467(61)          4336.9790          775.7559                                                                  
-  1432    76.1255    4942(76)          5807.6626          775.7638                                                                  
-  1433    76.1755    7346(96)          7676.4102          775.7721                                                                  
-  1434    76.2255    10801(122)          9908.8643          775.7806                                                                
-  1435    76.2754    14594(148)         12413.2158          775.7895                                                                
-  1436    76.3253    18447(175)         15028.2695          775.7986                                                                
-  1437    76.3753    20297(188)         17529.5352          775.8080                                                                
-  1438    76.4253    21708(198)         19649.5332          775.8176                                                                
-  1439    76.4753    21475(196)         21108.9570          775.8276                                                                
-  1440    76.5252    21519(197)         21692.3223          775.8379                                                                
-  1441    76.5750    20834(192)         21308.5293          775.8483                                                                
-  1442    76.6251    19384(182)         20013.3633          775.8590                                                                
-  1443    76.6752    17720(170)         18006.1250          775.8701                                                                
-  1444    76.7251    15025(151)         15563.0889          775.8815                                                                
-  1445    76.7749    12288(133)         12953.2852          775.8931                                                                
-  1446    76.8251    9440(112)         10401.1982          775.9049                                                                 
-  1447    76.8751    7506(97)          8096.8721          775.9172                                                                  
-  1448    76.9252    5837(83)          6145.7900          775.9296                                                                  
-  1449    76.9752    4786(74)          4593.9072          775.9424                                                                  
-  1450    77.0251    3702(64)          3419.4692          775.9554                                                                  
-  1451    77.0752    2909(56)          2573.3057          775.9688                                                                  
-  1452    77.1252    2216(48)          1992.4673          775.9824                                                                  
-  1453    77.1753    1721(42)          1609.1064          775.9963                                                                  
-  1454    77.2251    1410(38)          1365.0721          776.0103                                                                  
-  1455    77.2752    1252(35)          1211.6792          776.0247                                                                  
-  1456    77.3252    1084(33)          1116.0210          776.0395                                                                  
-  1457    77.3751    1036(32)          1055.5605          776.0544                                                                  
-  1458    77.4251    980(31)          1015.4361          776.0698                                                                   
-  1459    77.4751    923(30)           987.2244          776.0852                                                                   
-  1460    77.5250    920(30)           965.9745          776.1011                                                                   
-  1461    77.5749    877(29)           948.9741          776.1172                                                                   
-  1462    77.6249    863(29)           934.7373          776.1335                                                                   
-  1463    77.6749    905(30)           922.4706          776.1502                                                                   
-  1464    77.7249    899(30)           911.7313          776.1671                                                                   
-  1465    77.7748    886(29)           902.2224          776.1843                                                                   
-  1466    77.8246    892(30)           893.7643          776.2018                                                                   
-  1467    77.8747    937(30)           886.1314          776.2196                                                                   
-  1468    77.9248    948(31)           879.2614          776.2377                                                                   
-  1469    77.9747    964(31)           873.0733          776.2560                                                                   
-  1470    78.0340    910(30)           866.4588          776.2782                                                                   
-  1471    78.0841    975(31)           861.4240          776.2972                                                                   
-  1472    78.1342    937(30)           856.8356          776.3165                                                                   
-  1473    78.1843    1015(31)           852.6366          776.3361                                                                  
-  1474    78.2342    1029(32)           848.7973          776.3559                                                                  
-  1475    78.2842    1097(33)           845.2689          776.3760                                                                  
-  1476    78.3342    1082(32)           842.0127          776.3964                                                                  
-  1477    78.3843    1116(33)           839.0101          776.4171                                                                  
-  1478    78.4343    1151(34)           836.2338          776.4381                                                                  
-  1479    78.4842    1199(34)           833.6722          776.4594                                                                  
-  1480    78.5342    1195(34)           831.2896          776.4808                                                                  
-  1481    78.5843    1216(35)           829.0733          776.5027                                                                  
-  1482    78.6342    1197(34)           827.0202          776.5247                                                                  
-  1483    78.6842    1204(34)           825.1030          776.5471                                                                  
-  1484    78.7341    1191(34)           823.3182          776.5698                                                                  
-  1485    78.7841    1104(33)           821.6539          776.5927                                                                  
-  1486    78.8340    1136(33)           820.0997          776.6159                                                                  
-  1487    78.8839    1081(33)           811.5596          776.6393                                                                  
-  1488    78.9340    1030(32)           810.3010          776.6631                                                                  
-  1489    78.9839    993(31)           809.1302          776.6871                                                                   
-  1490    79.0339    1020(32)           808.0410          776.7115                                                                  
-  1491    79.0837    951(31)           807.0308          776.7361                                                                   
-  1492    79.1337    904(30)           806.0853          776.7610                                                                   
-  1493    79.1838    924(30)           806.3305          776.7863                                                                   
-  1494    79.2337    874(29)           805.5380          776.8118                                                                   
-  1495    79.2859    861(27)           804.7743          776.8387                                                                   
-  1496    79.3360    849(27)           804.1026          776.8649                                                                   
-  1497    79.3861    799(26)           803.4886          776.8912                                                                   
-  1498    79.4362    794(26)           802.9305          776.9179                                                                   
-  1499    79.4862    793(26)           802.4294          776.9449                                                                   
-  1500    79.5361    761(25)           801.9830          776.9720                                                                   
-  1501    79.5862    746(25)           801.5910          776.9996                                                                   
-  1502    79.6362    767(26)           801.2548          777.0274                                                                   
-  1503    79.6863    769(26)           800.9764          777.0555                                                                   
-  1504    79.7361    766(26)           800.7583          777.0838                                                                   
-  1505    79.7861    816(26)           800.6027          777.1124                                                                   
-  1506    79.8362    836(27)           800.5151          777.1414                                                                   
-  1507    79.8861    815(26)           800.5027          777.1706                                                                   
-  1508    79.9361    752(25)           800.5763          777.2001                                                                   
-  1509    79.9861    797(26)           800.7545          777.2299                                                                   
-  1510    80.0360    795(26)           801.0702          777.2598                                                                   
-  1511    80.0859    791(26)           801.5861          777.2901                                                                   
-  1512    80.1359    772(26)           802.4206          777.3207                                                                   
-  1513    80.1859    823(26)           803.7928          777.3517                                                                   
-  1514    80.2359    789(26)           806.0849          777.3829                                                                   
-  1515    80.2858    819(26)           809.9418          777.4144                                                                   
-  1516    80.3356    833(27)           816.3622          777.4459                                                                   
-  1517    80.3857    878(27)           826.9280          777.4780                                                                   
-  1518    80.4357    871(27)           843.6677          777.5104                                                                   
-  1519    80.4856    895(28)           869.0264          777.5430                                                                   
-  1520    80.5253    882(28)           897.2121          777.5692                                                                   
-  1521    80.5754    971(30)           945.0878          777.6024                                                                   
-  1522    80.6255    988(30)          1008.2403          777.6358                                                                   
-  1523    80.6756    1091(32)          1086.8369          777.6696                                                                  
-  1524    80.7256    1294(35)          1178.2443          777.7036                                                                  
-  1525    80.7755    1348(35)          1277.5758          777.7379                                                                  
-  1526    80.8256    1425(37)          1376.7622          777.7725                                                                  
-  1527    80.8756    1540(38)          1465.2460          777.8073                                                                  
-  1528    80.9257    1605(39)          1531.5798          777.8425                                                                  
-  1529    80.9755    1502(38)          1565.5618          777.8778                                                                  
-  1530    81.0255    1529(38)          1561.5586          777.9135                                                                  
-  1531    81.0756    1506(38)          1520.0206          777.9496                                                                  
-  1532    81.1255    1336(35)          1448.2898          777.9858                                                                  
-  1533    81.1755    1294(35)          1356.5645          778.0224                                                                  
-  1534    81.2255    1156(33)          1256.5165          778.0592                                                                  
-  1535    81.2754    1064(31)          1158.0164          778.0963                                                                  
-  1536    81.3253    989(30)          1068.6565          778.1337                                                                   
-  1537    81.3753    964(30)           992.9135          778.1714                                                                   
-  1538    81.4253    852(28)           932.5596          778.2094                                                                   
-  1539    81.4753    897(29)           887.3162          778.2477                                                                   
-  1540    81.5252    840(28)           855.0847          778.2862                                                                   
-  1541    81.5750    855(28)           833.2466          778.3249                                                                   
-  1542    81.6251    798(27)           818.9193          778.3641                                                                   
-  1543    81.6751    800(27)           809.9001          778.4036                                                                   
-  1544    81.7250    812(27)           804.3391          778.4432                                                                   
-  1545    81.7718    761(26)           801.0704          778.4806                                                                   
-  1546    81.8219    762(26)           798.8256          778.5209                                                                   
-  1547    81.8720    816(27)           797.3448          778.5615                                                                   
-  1548    81.9221    784(27)           796.3037          778.6024                                                                   
-  1549    81.9721    784(27)           795.5250          778.6436                                                                   
-  1550    82.0220    792(27)           794.9091          778.6849                                                                   
-  1551    82.0721    783(27)           794.4044          778.7266                                                                   
-  1552    82.1221    790(27)           793.9836          778.7687                                                                   
-  1553    82.1722    850(28)           793.6303          778.8110                                                                   
-  1554    82.2220    791(27)           793.3347          778.8533                                                                   
-  1555    82.2720    847(28)           793.0876          778.8962                                                                   
-  1556    82.3221    848(28)           792.8842          778.9394                                                                   
-  1557    82.3720    835(28)           792.7213          778.9827                                                                   
-  1558    82.4220    770(26)           792.5938          779.0264                                                                   
-  1559    82.4720    840(28)           792.4996          779.0703                                                                   
-  1560    82.5219    824(27)           792.4363          779.1145                                                                   
-  1561    82.5718    793(27)           792.4023          779.1590                                                                   
-  1562    82.6218    819(27)           792.3959          779.2037                                                                   
-  1563    82.6718    832(27)           792.4161          779.2490                                                                   
-  1564    82.7218    739(26)           792.4620          779.2943                                                                   
-  1565    82.7717    816(27)           792.5333          779.3398                                                                   
-  1566    82.8215    782(27)           792.6293          779.3857                                                                   
-  1567    82.8716    810(27)           792.7509          779.4319                                                                   
-  1568    82.9216    845(28)           792.8979          779.4786                                                                   
-  1569    82.9715    857(28)           793.0699          779.5252                                                                   
-  1570    83.0245    821(26)           793.2813          779.5752                                                                   
-  1571    83.0746    798(26)           793.5095          779.6226                                                                   
-  1572    83.1246    824(26)           793.7661          779.6705                                                                   
-  1573    83.1747    849(26)           794.0527          779.7184                                                                   
-  1574    83.2247    849(27)           790.1942          779.7667                                                                   
-  1575    83.2747    857(27)           790.6065          779.8152                                                                   
-  1576    83.3247    871(27)           791.0538          779.8641                                                                   
-  1577    83.3748    908(27)           791.5380          779.9133                                                                   
-  1578    83.4248    866(27)           792.0620          779.9626                                                                   
-  1579    83.4747    905(27)           792.6276          780.0122                                                                   
-  1580    83.5247    934(28)           793.2424          780.0621                                                                   
-  1581    83.5748    943(28)           793.9100          780.1125                                                                   
-  1582    83.6246    961(28)           794.6321          780.1629                                                                   
-  1583    83.6746    1019(29)           795.4191          780.2137                                                                  
-  1584    83.7246    928(28)           796.2758          780.2648                                                                   
-  1585    83.7745    963(28)           797.3840          780.3161                                                                   
-  1586    83.8245    914(27)           798.4076          780.3677                                                                   
-  1587    83.8744    984(29)           799.5299          780.4196                                                                   
-  1588    83.9244    919(28)           800.7653          780.4719                                                                   
-  1589    83.9744    883(27)           802.1234          780.5244                                                                   
-  1590    84.0244    911(27)           803.6235          780.5771                                                                   
-  1591    84.0741    878(27)           805.2791          780.6300                                                                   
-  1592    84.1242    855(27)           807.1316          780.6834                                                                   
-  1593    84.1743    883(27)           809.1995          780.7371                                                                   
-  1594    84.2242    849(26)           811.5103          780.7909                                                                   
-  1595    84.2855    869(27)           814.7550          780.8574                                                                   
-  1596    84.3356    831(27)           817.8146          780.9120                                                                   
-  1597    84.3856    893(28)           821.3356          780.9670                                                                   
-  1598    84.4357    853(27)           825.4737          781.0222                                                                   
-  1599    84.4857    829(27)           830.4791          781.0776                                                                   
-  1600    84.5357    828(27)           836.8715          781.1332                                                                   
-  1601    84.5857    832(27)           845.6160          781.1893                                                                   
-  1602    84.6358    865(27)           858.4749          781.2455                                                                   
-  1603    84.6858    860(27)           878.5881          781.3021                                                                   
-  1604    84.7356    802(26)           911.0372          781.3588                                                                   
-  1605    84.7857    869(27)           964.2456          781.4160                                                                   
-  1606    84.8357    931(28)          1050.0941          781.4734                                                                   
-  1607    84.8856    1002(29)          1183.5930          781.5309                                                                  
-  1608    84.9356    1097(31)          1383.7672          781.5889                                                                  
-  1609    84.9856    1410(35)          1668.2180          781.6470                                                                  
-  1610    85.0355    1882(42)          2051.0713          781.7055                                                                  
-  1611    85.0854    2584(49)          2535.7339          781.7642                                                                  
-  1612    85.1354    3481(58)          3110.8240          781.8232                                                                  
-  1613    85.1854    4309(65)          3744.8069          781.8826                                                                  
-  1614    85.2354    5040(71)          4382.8984          781.9422                                                                  
-  1615    85.2853    5578(76)          4956.2178          782.0020                                                                  
-  1616    85.3351    5632(76)          5385.3970          782.0619                                                                  
-  1617    85.3852    5499(75)          5603.9209          782.1224                                                                  
-  1618    85.4353    5285(73)          5567.7095          782.1833                                                                  
-  1619    85.4852    4995(71)          5285.1621          782.2442                                                                  
-  1620    85.5273    4382(71)          4891.4194          782.2960                                                                  
-  1621    85.5775    3751(65)          4304.0576          782.3576                                                                  
-  1622    85.6275    3199(59)          3661.7646          782.4196                                                                  
-  1623    85.6776    2513(52)          3031.9292          782.4818                                                                  
-  1624    85.7276    1997(46)          2467.3789          782.5441                                                                  
-  1625    85.7775    1730(42)          1995.5308          782.6066                                                                  
-  1626    85.8276    1577(40)          1625.5005          782.6697                                                                  
-  1627    85.8776    1286(36)          1353.0747          782.7330                                                                  
-  1628    85.9277    1156(34)          1163.0798          782.7966                                                                  
-  1629    85.9775    990(31)          1037.3584          782.8601                                                                   
-  1630    86.0276    941(31)           956.9947          782.9243                                                                   
-  1631    86.0776    870(30)           907.2441          782.9887                                                                   
-  1632    86.1275    808(28)           876.9868          783.0531                                                                   
-  1633    86.1775    799(28)           858.2474          783.1180                                                                   
-  1634    86.2275    788(28)           846.2328          783.1831                                                                   
-  1635    86.2774    794(28)           838.0198          783.2485                                                                   
-  1636    86.3273    839(29)           831.9764          783.3141                                                                   
-  1637    86.3773    774(28)           827.2267          783.3801                                                                   
-  1638    86.4273    797(28)           823.3066          783.4465                                                                   
-  1639    86.4773    757(27)           819.9799          783.5129                                                                   
-  1640    86.5272    741(27)           817.1006          783.5797                                                                   
-  1641    86.5770    799(28)           814.5882          783.6465                                                                   
-  1642    86.6271    781(28)           812.3601          783.7140                                                                   
-  1643    86.6772    790(28)           810.3878          783.7817                                                                   
-  1644    86.7271    699(26)           808.6396          783.8495                                                                   
-  1645    86.7590    752(32)           807.6220          783.8931                                                                   
-  1646    86.8091    751(33)           806.1644          783.9617                                                                   
-  1647    86.8592    714(32)           804.8593          784.0305                                                                   
-  1648    86.9093    776(33)           803.6866          784.0995                                                                   
-  1649    86.9592    738(32)           802.6346          784.1686                                                                   
-  1650    87.0092    750(33)           801.6858          784.2382                                                                   
-  1651    87.0592    748(33)           800.8270          784.3080                                                                   
-  1652    87.1093    789(33)           800.0510          784.3781                                                                   
-  1653    87.1593    772(33)           799.3487          784.4485                                                                   
-  1654    87.2092    707(32)           798.7147          784.5189                                                                   
-  1655    87.2592    770(33)           798.1385          784.5897                                                                   
-  1656    87.3093    792(34)           797.6160          784.6611                                                                   
-  1657    87.3592    800(34)           797.1446          784.7323                                                                   
-  1658    87.4092    697(31)           796.7172          784.8040                                                                   
-  1659    87.4591    780(33)           796.1646          784.8760                                                                   
-  1660    87.5091    738(32)           795.8196          784.9481                                                                   
-  1661    87.5590    820(34)           795.5100          785.0204                                                                   
-  1662    87.6089    762(33)           795.2330          785.0932                                                                   
-  1663    87.6590    763(33)           794.9861          785.1663                                                                   
-  1664    87.7089    773(33)           794.7686          785.2396                                                                   
-  1665    87.7589    753(33)           794.5782          785.3132                                                                   
-  1666    87.8087    786(33)           794.4146          785.3867                                                                   
-  1667    87.8587    776(33)           794.2747          785.4609                                                                   
-  1668    87.9088    765(33)           794.1591          785.5355                                                                   
-  1669    87.9587    839(34)           794.0674          785.6100                                                                   
-  1670    88.0119    746(30)           793.9949          785.6898                                                                   
-  1671    88.0620    760(31)           793.9504          785.7652                                                                   
-  1672    88.1121    820(32)           793.9290          785.8408                                                                   
-  1673    88.1622    805(32)           793.9312          785.9168                                                                   
-  1674    88.2121    752(31)           793.9572          785.9927                                                                   
-  1675    88.2621    729(31)           794.0081          786.0692                                                                   
-  1676    88.3121    772(32)           794.0851          786.1459                                                                   
-  1677    88.3622    766(31)           794.3932          786.2227                                                                   
-  1678    88.4122    804(32)           794.5314          786.3000                                                                   
-  1679    88.4621    758(31)           794.7007          786.3772                                                                   
-  1680    88.5121    729(31)           794.9062          786.4550                                                                   
-  1681    88.5622    824(33)           795.1514          786.5330                                                                   
-  1682    88.6121    779(31)           795.4398          786.6111                                                                   
-  1683    88.6621    776(32)           795.7792          786.6896                                                                   
-  1684    88.7120    783(31)           796.1765          786.7682                                                                   
-  1685    88.7620    778(31)           796.6429          786.8472                                                                   
-  1686    88.8119    753(31)           797.1954          786.9264                                                                   
-  1687    88.8618    806(32)           797.8635          787.0059                                                                   
-  1688    88.9119    812(32)           798.7004          787.0858                                                                   
-  1689    88.9618    805(32)           799.8050          787.1658                                                                   
-  1690    89.0118    778(31)           801.3710          787.2462                                                                   
-  1691    89.0615    814(32)           803.7468          787.3265                                                                   
-  1692    89.1116    800(32)           807.5893          787.4075                                                                   
-  1693    89.1617    846(33)           813.9308          787.4888                                                                   
-  1694    89.2116    842(33)           824.3240          787.5701                                                                   
-  1695    89.2888    829(27)           853.7401          787.6964                                                                   
-  1696    89.3389    892(28)           885.7772          787.7787                                                                   
-  1697    89.3890    921(29)           931.3814          787.8612                                                                   
-  1698    89.4391    1005(30)           992.5646          787.9440                                                                  
-  1699    89.4891    1050(31)          1069.0864          788.0269                                                                  
-  1700    89.5390    1222(34)          1158.3125          788.1100                                                                  
-  1701    89.5891    1365(35)          1254.2378          788.1936                                                                  
-  1702    89.6391    1335(35)          1347.1730          788.2773                                                                  
-  1703    89.6892    1457(37)          1425.1362          788.3613                                                                  
-  1704    89.7390    1528(38)          1475.5100          788.4454                                                                  
-  1705    89.7890    1429(36)          1489.1169          788.5299                                                                  
-  1706    89.8391    1395(36)          1462.8491          788.6147                                                                  
-  1707    89.8890    1375(35)          1402.3578          788.6996                                                                  
-  1708    89.9390    1248(34)          1318.2567          788.7850                                                                  
-  1709    89.9890    1133(32)          1223.3845          788.8704                                                                  
-  1710    90.0389    1078(31)          1128.9862          788.9562                                                                  
-  1711    90.0888    960(29)          1043.4646          789.0421                                                                   
-  1712    90.1388    899(28)           971.8599          789.1284                                                                   
-  1713    90.1888    963(29)           915.9143          789.2150                                                                   
-  1714    90.2388    835(27)           875.0659          789.3019                                                                   
-  1715    90.2887    846(27)           846.8878          789.3889                                                                   
-  1716    90.3385    810(27)           828.4896          789.4758                                                                   
-  1717    90.3886    777(26)           816.8763          789.5637                                                                   
-  1718    90.4386    833(27)           809.8223          789.6517                                                                   
-  1719    90.4885    741(26)           805.5904          789.7397                                                                   
-  1720    90.5406    790(29)           802.9182          789.8318                                                                   
-  1721    90.5907    775(29)           801.2908          789.9206                                                                   
-  1722    90.6407    726(28)           800.1776          790.0097                                                                   
-  1723    90.6909    752(28)           799.3583          790.0991                                                                   
-  1724    90.7408    723(28)           798.7205          790.1885                                                                   
-  1725    90.7908    799(29)           798.2017          790.2781                                                                   
-  1726    90.8408    731(28)           797.7691          790.3682                                                                   
-  1727    90.8909    768(29)           797.4048          790.4586                                                                   
-  1728    90.9409    773(29)           797.0966          790.5491                                                                   
-  1729    90.9908    737(28)           796.8367          790.6396                                                                   
-  1730    91.0408    692(27)           796.6163          790.7307                                                                   
-  1731    91.0909    724(28)           796.4306          790.8221                                                                   
-  1732    91.1407    802(29)           796.2762          790.9135                                                                   
-  1733    91.1908    784(29)           796.1481          791.0052                                                                   
-  1734    91.2407    766(28)           796.0440          791.0972                                                                   
-  1735    91.2906    789(29)           795.9609          791.1893                                                                   
-  1736    91.3406    705(27)           795.8966          791.2817                                                                   
-  1737    91.3905    748(28)           795.8494          791.3745                                                                   
-  1738    91.4406    823(29)           795.8177          791.4677                                                                   
-  1739    91.4905    771(29)           795.7999          791.5609                                                                   
-  1740    91.5405    750(28)           795.7954          791.6544                                                                   
-  1741    91.5902    760(28)           795.8027          791.7477                                                                   
-  1742    91.6403    785(29)           795.8215          791.8420                                                                   
-  1743    91.6904    760(28)           794.7517          791.9363                                                                   
-  1744    91.7403    764(28)           794.8082          792.0307                                                                   
-  1745    91.7867    791(29)           794.8691          792.1188                                                                   
-  1746    91.8368    800(29)           794.9435          792.2141                                                                   
-  1747    91.8869    751(28)           795.0266          792.3095                                                                   
-  1748    91.9370    779(29)           795.1183          792.4053                                                                   
-  1749    91.9869    790(29)           795.2183          792.5010                                                                   
-  1750    92.0369    718(28)           795.3269          792.5971                                                                   
-  1751    92.0870    733(28)           795.4442          792.6935                                                                   
-  1752    92.1370    848(30)           795.5704          792.7902                                                                   
-  1753    92.1871    752(28)           795.7058          792.8871                                                                   
-  1754    92.2369    782(29)           795.8501          792.9838                                                                   
-  1755    92.2869    798(29)           796.0048          793.0812                                                                   
-  1756    92.3370    738(28)           796.1703          793.1789                                                                   
-  1757    92.3869    802(29)           796.3465          793.2766                                                                   
-  1758    92.4369    777(29)           796.5351          793.3746                                                                   
-  1759    92.4869    760(28)           796.7368          793.4728                                                                   
-  1760    92.5368    772(29)           796.9525          793.5712                                                                   
-  1761    92.5867    732(28)           797.1841          793.6699                                                                   
-  1762    92.6367    785(29)           797.4332          793.7689                                                                   
-  1763    92.6867    773(29)           797.7022          793.8682                                                                   
-  1764    92.7367    833(30)           797.9925          793.9677                                                                   
-  1765    92.7866    817(30)           798.3072          794.0673                                                                   
-  1766    92.8364    852(30)           798.6485          794.1669                                                                   
-  1767    92.8865    769(29)           799.0239          794.2673                                                                   
-  1768    92.9365    804(29)           799.4357          794.3680                                                                   
-  1769    92.9864    799(29)           799.8884          794.4686                                                                   
-  1770    93.0253    839(29)           800.2740          794.5469                                                                   
-  1771    93.0754    785(28)           800.8224          794.6484                                                                   
-  1772    93.1254    818(28)           801.4371          794.7499                                                                   
-  1773    93.1755    775(27)           802.1340          794.8519                                                                   
-  1774    93.2255    824(28)           802.9327          794.9537                                                                   
-  1775    93.2755    809(28)           803.8734          795.0558                                                                   
-  1776    93.3255    804(28)           805.0291          795.1583                                                                   
-  1777    93.3756    863(29)           806.5366          795.2611                                                                   
-  1778    93.4256    772(27)           808.6644          795.3641                                                                   
-  1779    93.4755    786(28)           811.8981          795.4669                                                                   
-  1780    93.5255    820(28)           817.1385          795.5703                                                                   
-  1781    93.5756    841(29)           825.8408          795.6740                                                                   
-  1782    93.6254    852(29)           840.0996          795.7776                                                                   
-  1783    93.6754    874(29)           862.9327          795.8818                                                                   
-  1784    93.7254    890(29)           897.7477          795.9861                                                                   
-  1785    93.7753    929(30)           947.9691          796.0905                                                                   
-  1786    93.8253    1017(31)          1016.0108          796.1951                                                                  
-  1787    93.8752    1157(34)          1101.9998          796.3000                                                                  
-  1788    93.9252    1366(37)          1202.7115          796.4054                                                                  
-  1789    93.9752    1434(38)          1310.1884          796.5108                                                                  
-  1790    94.0252    1550(39)          1412.8630          796.6165                                                                  
-  1791    94.0749    1581(40)          1495.8528          796.7220                                                                  
-  1792    94.1250    1595(40)          1545.0220          796.8283                                                                  
-  1793    94.1751    1542(39)          1549.3605          796.9349                                                                  
-  1794    94.2250    1505(39)          1508.1111          797.0415                                                                  
-  1795    94.2649    1458(38)          1448.1906          797.1267                                                                  
-  1796    94.3150    1311(36)          1351.0222          797.2341                                                                  
-  1797    94.3650    1231(35)          1243.7253          797.3416                                                                  
-  1798    94.4151    1134(34)          1139.3253          797.4493                                                                  
-  1799    94.4651    984(31)          1047.4449          797.5571                                                                   
-  1800    94.5150    1010(31)           972.6931          797.6650                                                                  
-  1801    94.5651    962(31)           916.0717          797.7734                                                                   
-  1802    94.6152    844(29)           876.0298          797.8821                                                                   
-  1803    94.6652    864(29)           849.3668          797.9908                                                                   
-  1804    94.7150    829(29)           832.5421          798.0995                                                                   
-  1805    94.7651    857(29)           822.2678          798.2088                                                                   
-  1806    94.8151    837(29)           816.1442          798.3184                                                                   
-  1807    94.8650    766(27)           812.4955          798.4278                                                                   
-  1808    94.9150    733(27)           810.2259          798.5377                                                                   
-  1809    94.9650    802(28)           808.7277          798.6477                                                                   
-  1810    95.0149    787(28)           807.6597          798.7579                                                                   
-  1811    95.0648    755(27)           806.8447          798.8684                                                                   
-  1812    95.1148    719(26)           806.1918          798.9791                                                                   
-  1813    95.1648    804(28)           805.6530          799.0901                                                                   
-  1814    95.2148    766(27)           805.2027          799.2013                                                                   
-  1815    95.2647    841(29)           804.8237          799.3127                                                                   
-  1816    95.3145    815(28)           804.5043          799.4239                                                                   
-  1817    95.3646    787(28)           804.2328          799.5360                                                                   
-  1818    95.4147    766(27)           804.0041          799.6483                                                                   
-  1819    95.4646    805(28)           803.8123          799.7604                                                                   
-  1820    95.5234    783(29)           803.6263          799.8930                                                                   
-  1821    95.5735    822(29)           803.4974          800.0061                                                                   
-  1822    95.6236    843(30)           803.3920          800.1194                                                                   
-  1823    95.6737    799(29)           803.3070          800.2329                                                                   
-  1824    95.7236    832(30)           803.2404          800.3464                                                                   
-  1825    95.7736    852(30)           803.1897          800.4600                                                                   
-  1826    95.8237    847(30)           802.9809          800.5742                                                                   
-  1827    95.8737    833(30)           802.9598          800.6885                                                                   
-  1828    95.9237    805(29)           802.9500          800.8030                                                                   
-  1829    95.9736    866(30)           802.9503          800.9172                                                                   
-  1830    96.0236    892(31)           802.9596          801.0322                                                                   
-  1831    96.0737    840(30)           802.9772          801.1475                                                                   
-  1832    96.1236    839(30)           803.0020          801.2625                                                                   
-  1833    96.1736    870(30)           803.0337          801.3781                                                                   
-  1834    96.2235    817(29)           803.0714          801.4937                                                                   
-  1835    96.2735    883(30)           803.1147          801.6095                                                                   
-  1836    96.3234    821(29)           803.1630          801.7255                                                                   
-  1837    96.3733    899(31)           803.2160          801.8417                                                                   
-  1838    96.4234    881(30)           803.2735          801.9585                                                                   
-  1839    96.4734    838(30)           803.3348          802.0753                                                                   
-  1840    96.5233    842(30)           803.3997          802.1921                                                                   
-  1841    96.5731    845(30)           803.4677          802.3088                                                                   
-  1842    96.6231    870(30)           803.5392          802.4265                                                                   
-  1843    96.6732    796(29)           803.6137          802.5444                                                                   
-  1844    96.7231    774(28)           803.6906          802.6620                                                                   
-  1845    96.7601    819(28)           803.7492          802.7493                                                                   
-  1846    96.8102    758(27)           803.8306          802.8679                                                                   
-  1847    96.8603    802(28)           803.9142          802.9865                                                                   
-  1848    96.9104    857(29)           804.0001          803.1055                                                                   
-  1849    96.9603    779(27)           804.0875          803.2242                                                                   
-  1850    97.0103    870(29)           804.1768          803.3433                                                                   
-  1851    97.0603    863(29)           804.2679          803.4627                                                                   
-  1852    97.1104    864(29)           804.3607          803.5823                                                                   
-  1853    97.1604    834(28)           804.4551          803.7022                                                                   
-  1854    97.2103    857(29)           804.5504          803.8218                                                                   
-  1855    97.2603    807(28)           804.6475          803.9420                                                                   
-  1856    97.3104    785(27)           804.7460          804.0626                                                                   
-  1857    97.3603    828(28)           804.8452          804.1828                                                                   
-  1858    97.4103    837(28)           804.9459          804.3036                                                                   
-  1859    97.4602    808(28)           805.0477          804.4246                                                                   
-  1860    97.5102    787(27)           805.1504          804.5455                                                                   
-  1861    97.5601    803(28)           805.2542          804.6668                                                                   
-  1862    97.6100    781(27)           808.2620          804.7883                                                                   
-  1863    97.6601    753(27)           808.4224          804.9101                                                                   
-  1864    97.7100    748(27)           808.5849          805.0320                                                                   
-  1865    97.7600    798(28)           808.7501          805.1542                                                                   
-  1866    97.8098    744(27)           808.9169          805.2760                                                                   
-  1867    97.8598    796(28)           809.0873          805.3988                                                                   
-  1868    97.9099    789(27)           809.2602          805.5217                                                                   
-  1869    97.9598    795(28)           809.4353          805.6447                                                                   
-  1870    98.0201    762(26)           809.6501          805.7932                                                                   
-  1871    98.0702    777(26)           809.8317          805.9169                                                                   
-  1872    98.1203    810(26)           810.0159          806.0407                                                                   
-  1873    98.1704    755(25)           810.2032          806.1649                                                                   
-  1874    98.2203    793(26)           810.3926          806.2887                                                                   
-  1875    98.2703    771(26)           810.5852          806.4129                                                                   
-  1876    98.3203    793(26)           810.7812          806.5375                                                                   
-  1877    98.3704    701(24)           810.9803          806.6623                                                                   
-  1878    98.4204    745(25)           811.1827          806.7872                                                                   
-  1879    98.4703    830(27)           811.3877          806.9119                                                                   
-  1880    98.5203    760(26)           811.5969          807.0372                                                                   
-  1881    98.5704    805(26)           811.8099          807.1628                                                                   
-  1882    98.6203    775(26)           812.0259          807.2882                                                                   
-  1883    98.6703    797(26)           812.2462          807.4140                                                                   
-  1884    98.7202    805(26)           812.4703          807.5400                                                                   
-  1885    98.7702    798(26)           812.6984          807.6660                                                                   
-  1886    98.8201    784(26)           812.9309          807.7921                                                                   
-  1887    98.8700    876(27)           813.1681          807.9186                                                                   
-  1888    98.9201    783(26)           813.4104          808.0455                                                                   
-  1889    98.9700    783(26)           813.6573          808.1724                                                                   
-  1890    99.0200    797(26)           813.9092          808.2995                                                                   
-  1891    99.0697    823(27)           814.1655          808.4262                                                                   
-  1892    99.1198    824(27)           814.4291          808.5540                                                                   
-  1893    99.1699    785(26)           814.6985          808.6818                                                                   
-  1894    99.2198    798(26)           814.9733          808.8095                                                                   
-  1895    99.2890    794(28)           815.3651          808.9868                                                                   
-  1896    99.3391    744(27)           815.6571          809.1155                                                                   
-  1897    99.3892    806(28)           815.9562          809.2442                                                                   
-  1898    99.4393    834(28)           816.2632          809.3732                                                                   
-  1899    99.4892    859(29)           816.5775          809.5020                                                                   
-  1900    99.5392    861(29)           816.9005          809.6310                                                                   
-  1901    99.5892    822(28)           817.2332          809.7606                                                                   
-  1902    99.6393    780(27)           817.5752          809.8901                                                                   
-  1903    99.6893    790(28)           817.9274          810.0198                                                                   
-  1904    99.7392    773(27)           818.2891          810.1494                                                                   
-  1905    99.7892    833(29)           818.6633          810.2794                                                                   
-  1906    99.8393    792(28)           819.0501          810.4099                                                                   
-  1907    99.8891    800(28)           819.4481          810.5399                                                                   
-  1908    99.9392    837(28)           819.8609          810.6705                                                                   
-  1909    99.9891    803(28)           820.0868          810.8011                                                                   
-  1910   100.0390    848(29)           820.5322          810.9318                                                                   
-  1911   100.0890    782(27)           820.9940          811.0627                                                                   
-  1912   100.1389    764(27)           821.4737          811.1939                                                                   
-  1913   100.1890    810(28)           821.9731          811.3255                                                                   
-  1914   100.2389    829(28)           822.4918          811.4571                                                                   
-  1915   100.2889    834(28)           823.0317          811.5887                                                                   
-  1916   100.3386    777(27)           823.5933          811.7200                                                                   
-  1917   100.3887    808(28)           824.1833          811.8525                                                                   
-  1918   100.4388    770(27)           824.8000          811.9849                                                                   
-  1919   100.4887    860(29)           825.4438          812.1172                                                                   
-  1920   100.5356    798(31)           826.0778          812.2416                                                                   
-  1921   100.5857    771(30)           826.7880          812.3749                                                                   
-  1922   100.6358    802(31)           827.5342          812.5081                                                                   
-  1923   100.6859    812(31)           828.3209          812.6415                                                                   
-  1924   100.7359    835(31)           829.1489          812.7747                                                                   
-  1925   100.7858    755(30)           830.0244          812.9082                                                                   
-  1926   100.8359    810(31)           830.9531          813.0421                                                                   
-  1927   100.8859    808(31)           831.9379          813.1760                                                                   
-  1928   100.9360    808(31)           832.9849          813.3102                                                                   
-  1929   100.9858    767(30)           834.0959          813.4441                                                                   
-  1930   101.0358    829(31)           835.2852          813.5784                                                                   
-  1931   101.0859    788(30)           836.5589          813.7132                                                                   
-  1932   101.1358    802(31)           837.9183          813.8475                                                                   
-  1933   101.1858    765(30)           839.3832          813.9825                                                                   
-  1934   101.2358    814(31)           840.9590          814.1174                                                                   
-  1935   101.2857    799(31)           842.6599          814.2524                                                                   
-  1936   101.3356    823(31)           844.4999          814.3876                                                                   
-  1937   101.3856    812(31)           846.4992          814.5230                                                                   
-  1938   101.4356    811(31)           848.6801          814.6588                                                                   
-  1939   101.4856    814(31)           851.0577          814.7945                                                                   
-  1940   101.5355    835(31)           853.6620          814.9304                                                                   
-  1941   101.5853    859(32)           856.5148          815.0659                                                                   
-  1942   101.6354    802(31)           859.6816          815.2025                                                                   
-  1943   101.6854    801(31)           863.1890          815.3392                                                                   
-  1944   101.7353    811(31)           867.0765          815.4755                                                                   
-  1945   101.7804    865(30)           870.9736          815.5988                                                                   
-  1946   101.8305    849(30)           875.8089          815.7360                                                                   
-  1947   101.8805    927(31)           881.2564          815.8733                                                                   
-  1948   101.9306    863(30)           887.4360          816.0109                                                                   
-  1949   101.9806    889(30)           894.4587          816.1481                                                                   
-  1950   102.0306    903(31)           902.5183          816.2856                                                                   
-  1951   102.0806    878(30)           911.8749          816.4236                                                                   
-  1952   102.1307    887(31)           922.8618          816.5615                                                                   
-  1953   102.1807    956(32)           936.0875          816.6997                                                                   
-  1954   102.2306    915(31)           952.6060          816.8375                                                                   
-  1955   102.2806    1007(33)           974.7606          816.9759                                                                  
-  1956   102.3307    946(32)          1007.0381          817.1146                                                                   
-  1957   102.3805    949(32)          1061.1166          817.2529                                                                   
-  1958   102.4306    984(32)          1146.2531          817.3918                                                                   
-  1959   102.4805    1016(33)          1290.8821          817.5305                                                                  
-  1960   102.5304    1107(34)          1532.5557          817.6695                                                                  
-  1961   102.5804    1481(40)          1920.1326          817.8085                                                                  
-  1962   102.6303    2040(48)          2507.1140          817.9478                                                                  
-  1963   102.6803    3116(60)          3337.3811          818.0874                                                                  
-  1964   102.7303    4820(77)          4421.4180          818.2270                                                                  
-  1965   102.7803    6815(95)          5716.8159          818.3666                                                                  
-  1966   102.8300    8309(107)          7112.1660          818.5060                                                                 
-  1967   102.8801    9565(118)          8443.7881          818.6463                                                                 
-  1968   102.9302    9825(120)          9474.4238          818.7868                                                                 
-  1969   102.9801    9957(121)          9976.0986          818.9269                                                                 
-  1970   103.0256    9453(112)          9862.0908          819.0547                                                                 
-  1971   103.0757    8475(104)          9137.9336          819.1957                                                                 
-  1972   103.1257    7204(94)          7965.8047          819.3367                                                                  
-  1973   103.1758    6120(85)          6582.2866          819.4780                                                                  
-  1974   103.2258    4776(74)          5205.1729          819.6190                                                                  
-  1975   103.2758    3862(66)          3981.0112          819.7601                                                                  
-  1976   103.3258    3108(58)          2992.0024          819.9016                                                                  
-  1977   103.3759    2539(52)          2258.4353          820.0433                                                                  
-  1978   103.4259    2119(46)          1753.9052          820.1850                                                                  
-  1979   103.4757    1656(41)          1429.8080          820.3264                                                                  
-  1980   103.5258    1467(39)          1230.9170          820.4683                                                                  
-  1981   103.5758    1223(35)          1113.3264          820.6107                                                                  
-  1982   103.6257    1081(33)          1044.5039          820.7526                                                                  
-  1983   103.6758    1063(32)          1002.6272          820.8949                                                                  
-  1984   103.7257    915(30)           975.5173          821.0372                                                                   
-  1985   103.7756    985(31)           956.3702          821.1796                                                                   
-  1986   103.8256    962(31)           941.7550          821.3222                                                                   
-  1987   103.8755    954(31)           929.9663          821.4648                                                                   
-  1988   103.9255    892(30)           920.1217          821.6080                                                                   
-  1989   103.9755    907(30)           911.7797          821.7510                                                                   
-  1990   104.0254    854(29)           904.6223          821.8940                                                                   
-  1991   104.0752    891(30)           898.4545          822.0368                                                                   
-  1992   104.1253    903(30)           893.0665          822.1805                                                                   
-  1993   104.1754    872(29)           888.3730          822.3243                                                                   
-  1994   104.2253    852(29)           884.2800          822.4677                                                                   
-  1995   104.2721    866(33)           880.8961          822.6025                                                                   
-  1996   104.3222    883(33)           877.7027          822.7468                                                                   
-  1997   104.3723    904(33)           874.8961          822.8911                                                                   
-  1998   104.4224    871(32)           872.4235          823.0356                                                                   
-  1999   104.4723    928(33)           870.2518          823.1799                                                                   
-  2000   104.5223    884(33)           868.3397          823.3243                                                                   
-  2001   104.5724    919(33)           866.6564          823.4690                                                                   
-  2002   104.6224    890(33)           865.1827          823.6139                                                                   
-  2003   104.6724    875(32)           863.8965          823.7588                                                                   
-  2004   104.7223    868(32)           862.7840          823.9034                                                                   
-  2005   104.7723    925(33)           861.8232          824.0485                                                                   
-  2006   104.8224    822(31)           861.0045          824.1939                                                                   
-  2007   104.8723    882(33)           860.3212          824.3389                                                                   
-  2008   104.9223    877(32)           859.7588          824.4844                                                                   
-  2009   104.9722    866(32)           859.3130          824.6299                                                                   
-  2010   105.0222    895(33)           858.9768          824.7753                                                                   
-  2011   105.0721    915(33)           858.7457          824.9209                                                                   
-  2012   105.1220    896(33)           858.6150          825.0667                                                                   
-  2013   105.1721    856(32)           858.5828          825.2127                                                                   
-  2014   105.2220    873(32)           858.6475          825.3588                                                                   
-  2015   105.2720    890(33)           858.8077          825.5048                                                                   
-  2016   105.3218    914(33)           859.0624          825.6505                                                                   
-  2017   105.3718    920(33)           859.4155          825.7972                                                                   
-  2018   105.4219    917(33)           859.8671          825.9438                                                                   
-  2019   105.4718    913(33)           860.4188          826.0903                                                                   
-  2020   105.5108    882(33)           860.9228          826.2047                                                                   
-  2021   105.5609    898(33)           861.6677          826.3519                                                                   
-  2022   105.6110    885(33)           862.5273          826.4990                                                                   
-  2023   105.6611    899(33)           863.5105          826.6464                                                                   
-  2024   105.7110    908(33)           864.6213          826.7935                                                                   
-  2025   105.7610    948(34)           865.8729          826.9406                                                                   
-  2026   105.8111    866(32)           867.2812          827.0883                                                                   
-  2027   105.8611    890(33)           868.8550          827.2358                                                                   
-  2028   105.9111    905(33)           870.6146          827.3835                                                                   
-  2029   105.9610    884(33)           872.5704          827.5308                                                                   
-  2030   106.0110    939(34)           874.7606          827.6787                                                                   
-  2031   106.0611    930(34)           877.2083          827.8267                                                                   
-  2032   106.1110    950(34)           879.9318          827.9744                                                                   
-  2033   106.1610    903(33)           882.9896          828.1226                                                                   
-  2034   106.2109    973(34)           886.4147          828.2706                                                                   
-  2035   106.2609    979(34)           890.2634          828.4187                                                                   
-  2036   106.3108    963(34)           894.6033          828.5668                                                                   
-  2037   106.3607    999(35)           899.5172          828.7151                                                                   
-  2038   106.4108    994(35)           905.1071          828.8638                                                                   
-  2039   106.4607    1026(35)           911.4827          829.0124                                                                  
-  2040   106.5107    1007(35)           918.7858          829.1609                                                                  
-  2041   106.5605    1024(35)           927.1830          829.3091                                                                  
-  2042   106.6105    1115(37)           937.0018          829.4583                                                                  
-  2043   106.6606    1039(36)           948.5408          829.6075                                                                  
-  2044   106.7105    1134(37)           962.2828          829.7563                                                                  
-  2045   106.7697    1173(35)           982.8926          829.9331                                                                  
-  2046   106.8198    1239(36)          1006.3314          830.0827                                                                  
-  2047   106.8699    1144(35)          1039.8232          830.2323                                                                  
-  2048   106.9200    1042(33)          1092.2092          830.3821                                                                  
-  2049   106.9700    1102(34)          1179.5219          830.5316                                                                  
-  2050   107.0199    1181(35)          1329.4171          830.6810                                                                  
-  2051   107.0700    1274(37)          1584.4856          830.8310                                                                  
-  2052   107.1200    1691(42)          1999.6191          830.9810                                                                  
-  2053   107.1701    2369(51)          2644.9116          831.1309                                                                  
-  2054   107.2199    3600(64)          3546.3057          831.2805                                                                  
-  2055   107.2700    5355(81)          4728.8887          831.4306                                                                  
-  2056   107.3200    7645(101)          6135.8965          831.5811                                                                 
-  2057   107.3699    9275(114)          7622.5962          831.7309                                                                 
-  2058   107.4199    10623(126)          8982.2344          831.8812                                                                
-  2059   107.4699    10744(127)          9937.8652          832.0314                                                                
-  2060   107.5198    10356(124)         10245.7812          832.1817                                                                
-  2061   107.5697    9398(117)          9815.3691          832.3320                                                                 
-  2062   107.6197    7961(105)          8771.9141          832.4825                                                                 
-  2063   107.6697    6724(95)          7371.5439          832.6333                                                                  
-  2064   107.7197    5445(83)          5883.6533          832.7839                                                                  
-  2065   107.7696    4350(74)          4512.3311          832.9346                                                                  
-  2066   107.8194    3521(65)          3381.0515          833.0848                                                                  
-  2067   107.8695    2980(59)          2523.1743          833.2360                                                                  
-  2068   107.9195    2425(53)          1928.5322          833.3873                                                                  
-  2069   107.9694    2042(48)          1546.2722          833.5381                                                                  
-  2070   108.0265    1599(40)          1289.1011          833.7105                                                                  
-  2071   108.0766    1417(37)          1162.3124          833.8621                                                                  
-  2072   108.1267    1235(34)          1088.5273          834.0137                                                                  
-  2073   108.1768    1150(33)          1043.7854          834.1654                                                                  
-  2074   108.2267    1091(32)          1014.6326          834.3168                                                                  
-  2075   108.2767    1045(32)           993.8078          834.4681                                                                  
-  2076   108.3267    1000(31)           977.7524          834.6199                                                                  
-  2077   108.3768    1025(31)           964.7841          834.7717                                                                  
-  2078   108.4268    947(30)           951.1475          834.9236                                                                   
-  2079   108.4767    908(29)           942.1218          835.0750                                                                   
-  2080   108.5267    929(30)           934.4159          835.2268                                                                   
-  2081   108.5768    902(29)           927.8085          835.3789                                                                   
-  2082   108.6266    919(29)           922.1576          835.5305                                                                   
-  2083   108.6767    899(29)           917.2739          835.6826                                                                   
-  2084   108.7266    901(29)           913.0654          835.8345                                                                   
-  2085   108.7766    940(30)           909.4338          835.9865                                                                   
-  2086   108.8265    950(30)           906.2990          836.1384                                                                   
-  2087   108.8764    874(29)           903.5967          836.2905                                                                   
-  2088   108.9265    901(29)           901.2731          836.4430                                                                   
-  2089   108.9764    910(29)           899.2910          836.5952                                                                   
-  2090   109.0264    856(28)           897.6108          836.7474                                                                   
-  2091   109.0761    961(30)           896.2056          836.8991                                                                   
-  2092   109.1262    886(29)           895.0379          837.0519                                                                   
-  2093   109.1763    899(29)           894.0954          837.2047                                                                   
-  2094   109.2262    889(29)           893.3616          837.3569                                                                   
-  2095   109.2635    882(29)           892.9395          837.4708                                                                   
-  2096   109.3136    855(29)           892.5305          837.6237                                                                   
-  2097   109.3636    848(29)           892.2939          837.7767                                                                   
-  2098   109.4138    871(29)           892.2216          837.9298                                                                   
-  2099   109.4637    891(29)           892.3064          838.0825                                                                   
-  2100   109.5137    872(29)           892.5430          838.2353                                                                   
-  2101   109.5637    857(29)           892.9296          838.3884                                                                   
-  2102   109.6138    875(29)           893.4623          838.5414                                                                   
-  2103   109.6638    861(29)           894.1422          838.6945                                                                   
-  2104   109.7137    868(29)           894.9667          838.8472                                                                   
-  2105   109.7637    933(30)           895.9427          839.0003                                                                   
-  2106   109.8138    913(30)           897.0733          839.1537                                                                   
-  2107   109.8636    884(29)           898.3561          839.3065                                                                   
-  2108   109.9137    872(29)           899.8069          839.4597                                                                   
-  2109   109.9636    879(29)           901.4275          839.6128                                                                   
-  2110   110.0135    865(29)           903.2278          839.7659                                                                   
-  2111   110.0635    900(30)           905.2198          839.9189                                                                   
-  2112   110.1134    949(30)           907.4180          840.0721                                                                   
-  2113   110.1635    927(30)           909.8403          840.2256                                                                   
-  2114   110.2134    923(30)           912.4977          840.3788                                                                   
-  2115   110.2634    920(30)           915.4108          840.5322                                                                   
-  2116   110.3131    924(30)           918.5952          840.6849                                                                   
-  2117   110.3632    938(30)           922.1088          840.8387                                                                   
-  2118   110.4133    890(29)           925.9644          840.9923                                                                   
-  2119   110.4632    959(31)           930.1824          841.1455                                                                   
-  2120   110.5098    894(31)           934.4955          841.2887                                                                   
-  2121   110.5599    904(31)           939.5879          841.4426                                                                   
-  2122   110.6099    935(31)           945.2007          841.5964                                                                   
-  2123   110.6600    953(31)           951.4070          841.7504                                                                   
-  2124   110.7100    965(32)           958.2576          841.9039                                                                   
-  2125   110.7600    1039(33)           965.8676          842.0575                                                                  
-  2126   110.8100    1010(32)           974.3549          842.2114                                                                  
-  2127   110.8601    1013(32)           983.8374          842.3653                                                                  
-  2128   110.9101    1030(33)           994.4691          842.5192                                                                  
-  2129   110.9600    1039(33)          1006.3815          842.6724                                                                  
-  2130   111.0100    1076(34)          1019.8922          842.8263                                                                  
-  2131   111.0601    1031(33)          1035.2531          842.9803                                                                  
-  2132   111.1099    1156(35)          1052.7180          843.1338                                                                  
-  2133   111.1600    1138(34)          1072.8066          843.2877                                                                  
-  2134   111.2099    1172(35)          1095.9669          843.4414                                                                  
-  2135   111.2598    1239(36)          1122.8958          843.5950                                                                  
-  2136   111.3098    1277(37)          1154.5314          843.7488                                                                  
-  2137   111.3597    1278(37)          1192.2443          843.9025                                                                  
-  2138   111.4098    1310(37)          1238.4734          844.0565                                                                  
-  2139   111.4597    1271(37)          1297.5835          844.2103                                                                  
-  2140   111.5097    1268(36)          1378.8950          844.3640                                                                  
-  2141   111.5594    1264(36)          1500.8032          844.5173                                                                  
-  2142   111.6095    1344(38)          1701.5181          844.6715                                                                  
-  2143   111.6596    1457(39)          2046.3367          844.8256                                                                  
-  2144   111.7095    1838(45)          2638.9224          844.9792                                                                  
-  2145   111.7752    3049(61)          4048.5723          845.1816                                                                  
-  2146   111.8253    5181(84)          5819.2603          845.3359                                                                  
-  2147   111.8754    8604(115)          8334.6123          845.4901                                                                 
-  2148   111.9255    13608(155)         11597.3779          845.6443                                                                
-  2149   111.9754    18938(195)         15396.9951          845.7983                                                                
-  2150   112.0254    23544(229)         19296.7344          845.9520                                                                
-  2151   112.0755    25712(244)         22628.9766          846.1061                                                                
-  2152   112.1255    26093(247)         24592.5273          846.2602                                                                
-  2153   112.1755    23976(232)         24591.0273          846.4143                                                                
-  2154   112.2254    20585(205)         22636.1562          846.5679                                                                
-  2155   112.2754    16993(179)         19309.5684          846.7217                                                                
-  2156   112.3255    13884(156)         15399.7803          846.8760                                                                
-  2157   112.3754    11034(134)         11606.7520          847.0295                                                                
-  2158   112.4254    8939(118)          8347.1084          847.1835                                                                 
-  2159   112.4754    6870(100)          5834.2856          847.3373                                                                 
-  2160   112.5253    5417(87)          4064.3359          847.4910                                                                  
-  2161   112.5752    4289(75)          2911.8374          847.6447                                                                  
-  2162   112.6252    3281(65)          2208.1875          847.7983                                                                  
-  2163   112.6752    2713(58)          1796.1775          847.9525                                                                  
-  2164   112.7252    2158(50)          1554.8884          848.1061                                                                  
-  2165   112.7751    1793(45)          1412.5759          848.2598                                                                  
-  2166   112.8249    1525(41)          1321.1387          848.4129                                                                  
-  2167   112.8750    1329(38)          1256.1727          848.5670                                                                  
-  2168   112.9250    1235(37)          1206.5621          848.7210                                                                  
-  2169   112.9749    1058(34)          1166.6613          848.8745                                                                  
-  2170   113.0478    1072(34)          1119.8995          849.0985                                                                  
-  2171   113.0979    1043(33)          1093.6184          849.2525                                                                  
-  2172   113.1480    1036(33)          1071.0402          849.4064                                                                  
-  2173   113.1981    1036(33)          1051.4740          849.5605                                                                  
-  2174   113.2480    996(33)          1034.4784          849.7140                                                                   
-  2175   113.2980    1020(33)          1019.5862          849.8675                                                                  
-  2176   113.3481    1026(33)          1006.4417          850.0213                                                                  
-  2177   113.3981    981(32)           994.8293          850.1749                                                                   
-  2178   113.4481    1002(33)           984.5079          850.3287                                                                  
-  2179   113.4980    975(32)           975.3378          850.4816                                                                   
-  2180   113.5480    1009(33)           967.0987          850.6353                                                                  
-  2181   113.5981    982(32)           959.6932          850.7889                                                                   
-  2182   113.6480    964(32)           953.0500          850.9421                                                                   
-  2183   113.6980    1005(33)           947.0291          851.0955                                                                  
-  2184   113.7479    967(32)           941.5817          851.2487                                                                   
-  2185   113.7979    957(32)           936.6379          851.4018                                                                   
-  2186   113.8478    947(32)           932.1382          851.5548                                                                   
-  2187   113.8978    934(32)           928.0322          851.7080                                                                   
-  2188   113.9478    965(32)           924.2762          851.8613                                                                   
-  2189   113.9978    975(32)           920.8414          852.0143                                                                   
-  2190   114.0477    986(33)           917.6971          852.1672                                                                   
-  2191   114.0975    975(32)           914.8199          852.3196                                                                   
-  2192   114.1475    955(32)           912.1603          852.4730                                                                   
-  2193   114.1976    930(32)           909.7150          852.6262                                                                   
-  2194   114.2475    971(32)           907.4737          852.7789                                                                   
-  2195   114.2810    888(31)           906.0692          852.8813                                                                   
-  2196   114.3311    965(33)           904.1075          853.0345                                                                   
-  2197   114.3812    1004(33)           902.3022          853.1876                                                                  
-  2198   114.4313    992(33)           900.6400          853.3407                                                                   
-  2199   114.4812    1044(34)           899.1138          853.4933                                                                  
-  2200   114.5312    951(32)           897.7095          853.6459                                                                   
-  2201   114.5813    948(32)           896.4173          853.7987                                                                   
-  2202   114.6313    1011(33)           895.2332          853.9515                                                                  
-  2203   114.6813    921(32)           894.1497          854.1041                                                                   
-  2204   114.7312    974(33)           893.1645          854.2562                                                                   
-  2205   114.7812    1032(34)           892.2665          854.4087                                                                  
-  2206   114.8313    930(32)           891.4535          854.5613                                                                   
-  2207   114.8812    945(32)           890.7263          854.7133                                                                   
-  2208   114.9312    942(32)           890.0761          854.8655                                                                   
-  2209   114.9811    999(33)           889.5047          855.0177                                                                   
-  2210   115.0311    991(33)           889.0089          855.1696                                                                   
-  2211   115.0810    1026(34)           888.5876          855.3214                                                                  
-  2212   115.1309    946(32)           888.2403          855.4733                                                                   
-  2213   115.1810    970(33)           887.9672          855.6255                                                                   
-  2214   115.2309    950(32)           887.7701          855.7772                                                                   
-  2215   115.2809    946(32)           887.6503          855.9289                                                                   
-  2216   115.3307    963(32)           887.6103          856.0800                                                                   
-  2217   115.3807    898(31)           887.6535          856.2319                                                                   
-  2218   115.4308    982(33)           887.7851          856.3838                                                                   
-  2219   115.4807    935(32)           888.0100          856.5350                                                                   
-  2220   115.5183    925(31)           888.2461          856.6491                                                                   
-  2221   115.5684    912(30)           888.6559          856.8010                                                                   
-  2222   115.6185    931(31)           889.1846          856.9525                                                                   
-  2223   115.6686    961(31)           889.8458          857.1041                                                                   
-  2224   115.7186    871(30)           890.6528          857.2552                                                                   
-  2225   115.7685    891(30)           891.6274          857.4062                                                                   
-  2226   115.8186    918(31)           892.7956          857.5576                                                                   
-  2227   115.8686    897(30)           894.1859          857.7087                                                                   
-  2228   115.9187    971(31)           895.8352          857.8597                                                                   
-  2229   115.9685    994(32)           897.7831          858.0102                                                                   
-  2230   116.0185    935(31)           900.1021          858.1610                                                                   
-  2231   116.0686    974(32)           902.8668          858.3119                                                                   
-  2232   116.1185    967(31)           906.1660          858.4622                                                                   
-  2233   116.1685    1047(33)           910.1711          858.6127                                                                  
-  2234   116.2185    1008(32)           915.1284          858.7631                                                                  
-  2235   116.2684    990(32)           921.5202          858.9131                                                                   
-  2236   116.3183    1049(33)           930.3438          859.0632                                                                  
-  2237   116.3683    1020(32)           943.6659          859.2133                                                                  
-  2238   116.4183    967(31)           965.5847          859.3635                                                                   
-  2239   116.4683    1048(33)          1003.3259          859.5134                                                                  
-  2240   116.5182    1095(33)          1068.5435          859.6632                                                                  
-  2241   116.5680    1140(34)          1176.9086          859.8123                                                                  
-  2242   116.6181    1422(38)          1347.9088          859.9622                                                                  
-  2243   116.6681    1762(43)          1595.6404          860.1121                                                                  
-  2244   116.7180    2223(49)          1921.6029          860.2614                                                                  
-  2245   116.7687    2538(54)          2314.0239          860.4127                                                                  
-  2246   116.8188    3022(60)          2716.8992          860.5623                                                                  
-  2247   116.8689    3380(64)          3060.9045          860.7117                                                                  
-  2248   116.9190    3232(63)          3258.1948          860.8612                                                                  
-  2249   116.9689    3164(61)          3243.8989          861.0102                                                                  
-  2250   117.0189    2780(57)          3023.9724          861.1590                                                                  
-  2251   117.0689    2451(54)          2667.8879          861.3080                                                                  
-  2252   117.1190    2196(50)          2263.7017          861.4569                                                                  
-  2253   117.1690    1902(46)          1874.7058          861.6057                                                                  
-  2254   117.2189    1652(43)          1557.3625          861.7538                                                                  
-  2255   117.2689    1430(40)          1318.7869          861.9022                                                                  
-  2256   117.3190    1348(38)          1155.5728          862.0508                                                                  
-  2257   117.3689    1253(37)          1052.8073          862.1987                                                                  
-  2258   117.4189    1148(35)           991.4241          862.3469                                                                  
-  2259   117.4688    1118(35)           956.0713          862.4947                                                                  
-  2260   117.5188    1078(34)           935.5261          862.6423                                                                  
-  2261   117.5687    1004(33)           922.9191          862.7899                                                                  
-  2262   117.6186    984(32)           914.4843          862.9374                                                                   
-  2263   117.6687    994(33)           908.3204          863.0851                                                                   
-  2264   117.7186    945(32)           903.5205          863.2324                                                                   
-  2265   117.7686    917(31)           899.6298          863.3796                                                                   
-  2266   117.8183    940(32)           896.4146          863.5261                                                                   
-  2267   117.8684    911(31)           893.7010          863.6733                                                                   
-  2268   117.9185    950(32)           891.4096          863.8206                                                                   
-  2269   117.9684    869(31)           889.4705          863.9670                                                                   
-  2270   118.0038    908(31)           888.2682          864.0710                                                                   
-  2271   118.0539    932(31)           886.7826          864.2180                                                                   
-  2272   118.1040    852(30)           885.5124          864.3646                                                                   
-  2273   118.1541    896(31)           884.4224          864.5113                                                                   
-  2274   118.2041    847(30)           883.4907          864.6574                                                                   
-  2275   118.2540    871(30)           882.6925          864.8034                                                                   
-  2276   118.3041    833(29)           882.0087          864.9496                                                                   
-  2277   118.3541    887(31)           881.4269          865.0955                                                                   
-  2278   118.4042    930(31)           880.9340          865.2414                                                                   
-  2279   118.4540    849(30)           880.5217          865.3865                                                                   
-  2280   118.5040    873(30)           880.1780          865.5320                                                                   
-  2281   118.5541    838(30)           879.8972          865.6776                                                                   
-  2282   118.6040    887(30)           879.6738          865.8223                                                                   
-  2283   118.6540    893(30)           879.5015          865.9674                                                                   
-  2284   118.7040    894(30)           879.3765          866.1122                                                                   
-  2285   118.7539    861(30)           879.2949          866.2568                                                                   
-  2286   118.8038    867(30)           879.2532          866.4012                                                                   
-  2287   118.8538    863(30)           879.2491          866.5456                                                                   
-  2288   118.9038    840(30)           879.2804          866.6900                                                                   
-  2289   118.9538    824(29)           879.3452          866.8341                                                                   
-  2290   119.0037    928(31)           879.4419          866.9781                                                                   
-  2291   119.0535    874(30)           879.5688          867.1212                                                                   
-  2292   119.1036    871(30)           879.7266          867.2651                                                                   
-  2293   119.1536    869(30)           879.9137          867.4090                                                                   
-  2294   119.2035    901(31)           880.1292          867.5521                                                                   
-  2295   119.2497    814(31)           880.3545          867.6846                                                                   
-  2296   119.2998    876(32)           880.6265          867.8280                                                                   
-  2297   119.3499    921(33)           880.9278          867.9712                                                                   
-  2298   119.4000    833(31)           881.2593          868.1144                                                                   
-  2299   119.4500    879(33)           881.6203          868.2570                                                                   
-  2300   119.4999    871(32)           882.0128          868.3994                                                                   
-  2301   119.5500    846(32)           882.4390          868.5419                                                                   
-  2302   119.6000    870(32)           882.8992          868.6843                                                                   
-  2303   119.6501    882(32)           883.3958          868.8264                                                                   
-  2304   119.6999    798(31)           883.9287          868.9680                                                                   
-  2305   119.7499    832(32)           884.5034          869.1097                                                                   
-  2306   119.8000    867(32)           885.1232          869.2516                                                                   
-  2307   119.8499    928(33)           885.7865          869.3926                                                                   
-  2308   119.8999    859(32)           886.5022          869.5339                                                                   
-  2309   119.9499    932(33)           887.2717          869.6749                                                                   
-  2310   119.9998    866(32)           888.1000          869.8156                                                                   
-  2311   120.0497    857(32)           888.9932          869.9561                                                                   
-  2312   120.0997    959(34)           889.9583          870.0966                                                                   
-  2313   120.1497    925(32)           891.0031          870.2371                                                                   
-  2314   120.1997    905(32)           892.1344          870.3772                                                                   
-  2315   120.2496    915(33)           893.3609          870.5172                                                                   
-  2316   120.2994    914(33)           894.6904          870.6562                                                                   
-  2317   120.3495    871(32)           896.1490          870.7963                                                                   
-  2318   120.3995    891(33)           897.7430          870.9360                                                                   
-  2319   120.4494    912(33)           899.4845          871.0750                                                                   
-  2320   120.5017    894(31)           901.4937          871.2204                                                                   
-  2321   120.5518    931(32)           903.6237          871.3597                                                                   
-  2322   120.6018    875(32)           905.9816          871.4987                                                                   
-  2323   120.6519    954(33)           908.6039          871.6375                                                                   
-  2324   120.7019    931(32)           911.5204          871.7759                                                                   
-  2325   120.7519    964(33)           914.7895          871.9140                                                                   
-  2326   120.8019    903(32)           918.4783          872.0522                                                                   
-  2327   120.8520    932(32)           922.6520          872.1902                                                                   
-  2328   120.9020    926(32)           927.4005          872.3279                                                                   
-  2329   120.9519    930(32)           932.8149          872.4651                                                                   
-  2330   121.0019    1012(34)           939.0728          872.6024                                                                  
-  2331   121.0520    951(33)           946.3447          872.7396                                                                   
-  2332   121.1018    948(33)           954.8254          872.8762                                                                   
-  2333   121.1519    955(33)           964.8911          873.0131                                                                   
-  2334   121.2018    956(32)           977.0073          873.1494                                                                   
-  2335   121.2517    908(33)           992.0748          873.2856                                                                   
-  2336   121.3017    981(33)          1011.8242          873.4214                                                                   
-  2337   121.3516    981(33)          1039.8774          873.5573                                                                   
-  2338   121.4016    968(33)          1083.5330          873.6931                                                                   
-  2339   121.4516    975(33)          1156.2500          873.8285                                                                   
-  2340   121.5016    1088(35)          1281.0588          873.9636                                                                  
-  2341   121.5513    1242(38)          1491.0106          874.0981                                                                  
-  2342   121.6014    1605(43)          1830.8947          874.2332                                                                  
-  2343   121.6515    2139(50)          2340.2148          874.3680                                                                  
-  2344   121.7014    3101(60)          3037.4609          874.5023                                                                  
-  2345   121.7535    4296(65)          3944.8313          874.6423                                                                  
-  2346   121.8036    5522(75)          4901.1396          874.7766                                                                  
-  2347   121.8537    6304(81)          5786.1328          874.9106                                                                  
-  2348   121.9038    6356(82)          6392.4409          875.0445                                                                  
-  2349   121.9537    5992(79)          6526.0791          875.1777                                                                  
-  2350   122.0037    5277(73)          6140.1387          875.3108                                                                  
-  2351   122.0538    4691(68)          5368.0015          875.4440                                                                  
-  2352   122.1038    3836(61)          4424.8574          875.5768                                                                  
-  2353   122.1538    3282(56)          3494.8330          875.7094                                                                  
-  2354   122.2037    2772(51)          2700.2224          875.8413                                                                  
-  2355   122.2537    2338(46)          2087.6196          875.9735                                                                  
-  2356   122.3038    2033(43)          1668.5212          876.1056                                                                  
-  2357   122.3537    1737(40)          1393.7327          876.2369                                                                  
-  2358   122.4037    1540(37)          1226.9827          876.3683                                                                  
-  2359   122.4536    1434(36)          1129.8276          876.4994                                                                  
-  2360   122.5036    1283(33)          1073.0267          876.6301                                                                  
-  2361   122.5535    1115(31)          1038.1710          876.7607                                                                  
-  2362   122.6035    1085(31)          1014.9449          876.8911                                                                  
-  2363   122.6535    974(29)           998.0482          877.0214                                                                   
-  2364   122.7035    920(28)           984.9363          877.1513                                                                   
-  2365   122.7534    966(29)           974.3195          877.2810                                                                   
-  2366   122.8032    865(27)           965.5442          877.4100                                                                   
-  2367   122.8533    901(28)           958.1218          877.5396                                                                   
-  2368   122.9033    904(28)           951.8344          877.6687                                                                   
-  2369   122.9532    876(27)           946.4942          877.7972                                                                   
-  2370   123.0089    914(31)           941.4354          877.9404                                                                   
-  2371   123.0590    827(29)           937.5502          878.0689                                                                   
-  2372   123.1090    856(29)           934.2028          878.1973                                                                   
-  2373   123.1591    895(30)           931.3045          878.3253                                                                   
-  2374   123.2091    835(29)           928.8022          878.4528                                                                   
-  2375   123.2590    867(30)           926.6338          878.5800                                                                   
-  2376   123.3091    861(30)           924.7513          878.7073                                                                   
-  2377   123.3591    826(29)           923.1245          878.8342                                                                   
-  2378   123.4092    861(29)           921.7209          878.9609                                                                   
-  2379   123.4590    885(30)           920.5200          879.0869                                                                   
-  2380   123.5091    896(30)           921.6451          879.2130                                                                   
-  2381   123.5592    843(29)           920.7792          879.3390                                                                   
-  2382   123.6090    809(29)           920.0604          879.4643                                                                   
-  2383   123.6590    839(29)           919.4692          879.5896                                                                   
-  2384   123.7090    878(30)           918.9984          879.7145                                                                   
-  2385   123.7589    872(30)           918.6374          879.8392                                                                   
-  2386   123.8088    879(30)           918.3781          879.9636                                                                   
-  2387   123.8588    894(30)           918.2137          880.0876                                                                   
-  2388   123.9088    892(30)           918.1396          880.2117                                                                   
-  2389   123.9588    851(29)           918.1508          880.3354                                                                   
-  2390   124.0087    857(29)           918.2437          880.4587                                                                   
-  2391   124.0585    877(30)           918.4139          880.5814                                                                   
-  2392   124.1086    851(29)           918.6617          880.7045                                                                   
-  2393   124.1587    892(30)           918.9838          880.8273                                                                   
-  2394   124.2086    863(30)           919.3786          880.9494                                                                   
-  2395   124.2547    930(30)           919.8094          881.0623                                                                   
-  2396   124.3048    912(30)           920.3465          881.1843                                                                   
-  2397   124.3549    837(29)           920.9570          881.3061                                                                   
-  2398   124.4050    871(29)           921.6431          881.4277                                                                   
-  2399   124.4550    934(30)           922.4031          881.5486                                                                   
-  2400   124.5049    841(29)           923.2408          881.6693                                                                   
-  2401   124.5550    880(29)           924.1616          881.7898                                                                   
-  2402   124.6050    874(29)           925.1652          881.9101                                                                   
-  2403   124.6551    883(30)           926.2563          882.0301                                                                   
-  2404   124.7049    902(30)           927.4351          882.1494                                                                   
-  2405   124.7550    907(30)           928.7141          882.2687                                                                   
-  2406   124.8050    869(29)           930.0972          882.3880                                                                   
-  2407   124.8549    882(29)           931.5828          882.5064                                                                   
-  2408   124.9049    881(29)           933.1890          882.6249                                                                   
-  2409   124.9549    874(29)           934.9178          882.7430                                                                   
-  2410   125.0048    853(29)           936.7791          882.8607                                                                   
-  2411   125.0547    938(30)           938.7844          882.9781                                                                   
-  2412   125.1047    869(29)           940.9471          883.0953                                                                   
-  2413   125.1547    895(30)           943.2841          883.2123                                                                   
-  2414   125.2047    885(29)           945.8022          883.3290                                                                   
-  2415   125.2546    838(29)           948.5209          883.4452                                                                   
-  2416   125.3044    946(31)           951.4523          883.5607                                                                   
-  2417   125.3545    899(30)           954.6476          883.6768                                                                   
-  2418   125.4046    914(30)           958.1122          883.7924                                                                   
-  2419   125.4545    887(30)           961.8640          883.9073                                                                   
-  2420   125.4916    951(33)           964.8724          883.9927                                                                   
-  2421   125.5417    890(32)           969.2469          884.1076                                                                   
-  2422   125.5918    927(33)           974.0241          884.2221                                                                   
-  2423   125.6419    954(33)           979.2578          884.3364                                                                   
-  2424   125.6919    947(33)           984.9860          884.4500                                                                   
-  2425   125.7418    1020(34)           991.2965          884.5632                                                                  
-  2426   125.7919    971(34)           998.2718          884.6765                                                                   
-  2427   125.8419    1075(35)          1005.9969          884.7894                                                                  
-  2428   125.8920    1080(35)          1014.5783          884.9019                                                                  
-  2429   125.9418    1065(35)          1024.1115          885.0137                                                                  
-  2430   125.9918    1012(34)          1034.8174          885.1255                                                                  
-  2431   126.0419    1085(36)          1046.8687          885.2372                                                                  
-  2432   126.0918    1182(37)          1060.4222          885.3481                                                                  
-  2433   126.1418    1042(34)          1075.8472          885.4590                                                                  
-  2434   126.1918    1228(38)          1093.4097          885.5694                                                                  
-  2435   126.2417    1231(38)          1113.5559          885.6794                                                                  
-  2436   126.2916    1265(38)          1136.7977          885.7891                                                                  
-  2437   126.3416    1255(38)          1163.8506          885.8986                                                                  
-  2438   126.3916    1375(40)          1195.6576          886.0079                                                                  
-  2439   126.4416    1323(39)          1233.4421          886.1166                                                                  
-  2440   126.4915    1346(39)          1279.3860          886.2251                                                                  
-  2441   126.5413    1351(39)          1337.1433          886.3328                                                                  
-  2442   126.5914    1428(40)          1414.9880          886.4408                                                                  
-  2443   126.6414    1350(39)          1527.8562          886.5485                                                                  
-  2444   126.6913    1414(40)          1704.3595          886.6555                                                                  
-  2445   126.7360    1475(41)          1958.1233          886.7510                                                                  
-  2446   126.7861    1663(43)          2420.4272          886.8577                                                                  
-  2447   126.8362    2299(52)          3182.9111          886.9641                                                                  
-  2448   126.8863    3721(67)          4374.5869          887.0702                                                                  
-  2449   126.9363    6158(91)          6105.1040          887.1756                                                                  
-  2450   126.9862    9434(119)          8424.7012          887.2806                                                                 
-  2451   127.0363    13023(148)         11256.6611          887.3856                                                                
-  2452   127.0863    16152(175)         14334.2012          887.4902                                                                
-  2453   127.1364    18042(186)         17191.1113          887.5944                                                                
-  2454   127.1862    18859(191)         19188.1152          887.6978                                                                
-  2455   127.2362    18146(186)         19739.3418          887.8013                                                                
-  2456   127.2863    16165(170)         18638.6289          887.9045                                                                
-  2457   127.3362    13924(153)         16272.8047          888.0069                                                                
-  2458   127.3862    11463(134)         13277.3760          888.1093                                                                
-  2459   127.4362    9516(121)         10251.7588          888.2112                                                                 
-  2460   127.4861    7800(107)          7579.6743          888.3127                                                                 
-  2461   127.5360    6362(94)          5459.7070          888.4138                                                                  
-  2462   127.5860    5300(86)          3923.2017          888.5146                                                                  
-  2463   127.6360    4401(77)          2892.2378          888.6152                                                                  
-  2464   127.6860    3541(67)          2244.8423          888.7153                                                                  
-  2465   127.7359    2981(61)          1854.7297          888.8149                                                                  
-  2466   127.7857    2502(55)          1622.1101          888.9139                                                                  
-  2467   127.8358    2071(50)          1477.9402          889.0132                                                                  
-  2468   127.8858    1760(46)          1383.2205          889.1120                                                                  
-  2469   127.9357    1433(40)          1315.7705          889.2101                                                                  
-  2470   128.0012    1280(33)          1250.1121          889.3383                                                                  
-  2471   128.0513    1163(31)          1210.6801          889.4359                                                                  
-  2472   128.1013    1116(31)          1177.7592          889.5331                                                                  
-  2473   128.1515    1049(30)          1149.8193          889.6300                                                                  
-  2474   128.2014    1027(29)          1125.9624          889.7262                                                                  
-  2475   128.2514    874(27)          1105.3705          889.8220                                                                   
-  2476   128.3014    1001(29)          1087.4424          889.9177                                                                  
-  2477   128.3515    895(27)          1071.7993          890.0129                                                                   
-  2478   128.4015    930(28)          1058.0659          890.1077                                                                   
-  2479   128.4514    906(27)          1045.9904          890.2018                                                                   
-  2480   128.5014    945(28)          1035.2560          890.2958                                                                   
-  2481   128.5515    911(27)          1025.6992          890.3896                                                                   
-  2482   128.6013    861(27)          1017.2038          890.4826                                                                   
-  2483   128.6514    900(27)          1009.5699          890.5754                                                                   
-  2484   128.7013    950(28)          1002.7198          890.6678                                                                   
-  2485   128.7513    867(27)           996.5512          890.7596                                                                   
-  2486   128.8012    875(27)           990.9787          890.8511                                                                   
-  2487   128.8511    928(28)           985.9303          890.9423                                                                   
-  2488   128.9012    893(27)           981.3422          891.0332                                                                   
-  2489   128.9511    906(27)           977.1800          891.1235                                                                   
-  2490   129.0011    935(28)           973.3934          891.2135                                                                   
-  2491   129.0508    861(27)           969.9509          891.3027                                                                   
-  2492   129.1009    888(27)           966.7897          891.3920                                                                   
-  2493   129.1510    913(27)           963.9022          891.4810                                                                   
-  2494   129.2009    912(28)           961.2726          891.5692                                                                   
-  2495   129.2781    932(30)           957.6373          891.7048                                                                   
-  2496   129.3282    914(30)           955.5334          891.7924                                                                   
-  2497   129.3783    817(28)           953.6125          891.8795                                                                   
-  2498   129.4284    972(31)           951.8555          891.9661                                                                   
-  2499   129.4783    940(30)           950.2570          892.0521                                                                   
-  2500   129.5283    886(29)           948.8003          892.1377                                                                   
-  2501   129.5784    897(30)           947.4725          892.2231                                                                   
-  2502   129.6284    895(30)           946.2701          892.3079                                                                   
-  2503   129.6785    928(30)           945.1830          892.3925                                                                   
-  2504   129.7283    874(29)           944.2095          892.4761                                                                   
-  2505   129.7783    880(29)           943.3352          892.5598                                                                   
-  2506   129.8284    948(30)           942.5586          892.6429                                                                   
-  2507   129.8783    912(30)           941.8778          892.7255                                                                   
-  2508   129.9283    837(28)           941.2859          892.8078                                                                   
-  2509   129.9783    869(29)           940.7806          892.8895                                                                   
-  2510   130.0282    933(30)           940.3596          892.9708                                                                   
-  2511   130.0781    984(31)           940.0204          893.0516                                                                   
-  2512   130.1281    915(30)           939.7610          893.1321                                                                   
-  2513   130.1781    931(30)           939.5803          893.2123                                                                   
-  2514   130.2281    938(30)           939.4781          893.2919                                                                   
-  2515   130.2780    887(29)           939.4542          893.3710                                                                   
-  2516   130.3278    992(31)           939.5084          893.4493                                                                   
-  2517   130.3779    886(29)           939.6415          893.5278                                                                   
-  2518   130.4279    1028(32)           939.8558          893.6058                                                                  
-  2519   130.4778    907(30)           940.1514          893.6831                                                                   
-  2520   130.5279    938(34)           940.5330          893.7601                                                                   
-  2521   130.5780    950(35)           941.0026          893.8368                                                                   
-  2522   130.6280    1006(36)           941.5627          893.9130                                                                  
-  2523   130.6781    929(34)           942.2197          893.9888                                                                   
-  2524   130.7281    937(34)           942.9750          894.0638                                                                   
-  2525   130.7781    948(35)           943.8367          894.1385                                                                   
-  2526   130.8281    991(36)           944.8133          894.2128                                                                   
-  2527   130.8782    896(33)           945.9113          894.2867                                                                   
-  2528   130.9282    952(35)           947.1398          894.3600                                                                   
-  2529   130.9781    913(34)           948.5038          894.4327                                                                   
-  2530   131.0281    933(34)           950.0234          894.5052                                                                   
-  2531   131.0782    924(34)           951.7140          894.5772                                                                   
-  2532   131.1280    921(34)           953.5778          894.6485                                                                   
-  2533   131.1780    918(34)           955.6465          894.7195                                                                   
-  2534   131.2280    947(34)           957.9371          894.7901                                                                   
-  2535   131.2779    890(34)           960.4701          894.8599                                                                   
-  2536   131.3279    887(33)           963.2770          894.9294                                                                   
-  2537   131.3778    905(34)           966.3899          894.9985                                                                   
-  2538   131.4278    928(34)           969.8564          895.0672                                                                   
-  2539   131.4778    920(34)           973.7097          895.1354                                                                   
-  2540   131.5278    891(33)           978.0007          895.2029                                                                   
-  2541   131.5775    983(35)           982.7811          895.2698                                                                   
-  2542   131.6276    946(35)           988.1718          895.3367                                                                   
-  2543   131.6777    903(34)           994.2305          895.4030                                                                   
-  2544   131.7276    989(35)          1001.0500          895.4687                                                                   
-  2545   131.7599    994(37)          1005.9319          895.5109                                                                   
-  2546   131.8100    976(36)          1014.3480          895.5759                                                                   
-  2547   131.8600    932(35)          1023.9537          895.6405                                                                   
-  2548   131.9101    977(36)          1034.9828          895.7047                                                                   
-  2549   131.9601    1051(38)          1047.6714          895.7681                                                                  
-  2550   132.0101    952(36)          1062.4658          895.8311                                                                   
-  2551   132.0601    1073(38)          1079.9456          895.8936                                                                  
-  2552   132.1102    1022(37)          1101.0168          895.9556                                                                  
-  2553   132.1602    1081(38)          1127.3097          896.0172                                                                  
-  2554   132.2101    1060(38)          1152.6355          896.0779                                                                  
-  2555   132.2601    1090(39)          1201.1191          896.1385                                                                  
-  2556   132.3102    1065(38)          1273.7500          896.1987                                                                  
-  2557   132.3600    1105(39)          1386.9114          896.2579                                                                  
-  2558   132.4100    1199(40)          1567.8083          896.3170                                                                  
-  2559   132.4600    1364(43)          1852.6453          896.3754                                                                  
-  2560   132.5099    1909(52)          2286.1289          896.4332                                                                  
-  2561   132.5598    2815(65)          2913.5850          896.4906                                                                  
-  2562   132.6098    4072(80)          3767.0371          896.5475                                                                  
-  2563   132.6599    5513(96)          4850.6162          896.6040                                                                  
-  2564   132.7098    7280(115)          6113.5820          896.6599                                                                 
-  2565   132.7598    8354(125)          7447.3394          896.7152                                                                 
-  2566   132.8095    9299(134)          8676.7861          896.7698                                                                 
-  2567   132.8596    9298(134)          9585.7734          896.8243                                                                 
-  2568   132.9097    9115(132)          9942.3535          896.8782                                                                 
-  2569   132.9596    8748(128)          9644.2559          896.9314                                                                 
-  2570   133.0076    8083(121)          8821.3750          896.9822                                                                 
-  2571   133.0577    6827(109)          7612.7661          897.0345                                                                 
-  2572   133.1078    5871(99)          6277.7349          897.0864                                                                  
-  2573   133.1579    4872(89)          4995.8486          897.1378                                                                  
-  2574   133.2078    4314(83)          3889.3479          897.1884                                                                  
-  2575   133.2578    3623(75)          3006.2725          897.2385                                                                  
-  2576   133.3079    3110(69)          2351.2505          897.2883                                                                  
-  2577   133.3579    2799(65)          1896.0222          897.3374                                                                  
-  2578   133.4079    2312(58)          1595.8250          897.3860                                                                  
-  2579   133.4578    2078(55)          1405.5494          897.4338                                                                  
-  2580   133.5078    1859(52)          1285.8958          897.4813                                                                  
-  2581   133.5579    1713(50)          1209.6594          897.5283                                                                  
-  2582   133.6078    1532(46)          1159.2542          897.5746                                                                  
-  2583   133.6578    1271(42)          1123.4298          897.6205                                                                  
-  2584   133.7077    1203(41)          1096.3566          897.6658                                                                  
-  2585   133.7577    1156(40)          1074.7546          897.7106                                                                  
-  2586   133.8076    1127(39)          1056.8674          897.7546                                                                  
-  2587   133.8575    922(36)          1041.7175          897.7982                                                                   
-  2588   133.9076    1012(37)          1028.6760          897.8414                                                                  
-  2589   133.9576    980(37)          1017.3867          897.8839                                                                   
-  2590   134.0075    978(37)          1007.5442          897.9259                                                                   
-  2591   134.0573    949(36)           998.9265          897.9671                                                                   
-  2592   134.1073    906(35)           991.2742          898.0081                                                                   
-  2593   134.1574    986(37)           984.4952          898.0485                                                                   
-  2594   134.2073    962(36)           978.4738          898.0881                                                                   
-  2595   134.2746    921(34)           971.3536          898.1407                                                                   
-  2596   134.3247    971(35)           966.6795          898.1793                                                                   
-  2597   134.3748    926(34)           962.4688          898.2171                                                                   
-  2598   134.4249    911(34)           958.6586          898.2545                                                                   
-  2599   134.4748    983(36)           955.2126          898.2912                                                                   
-  2600   134.5248    916(34)           952.0789          898.3273                                                                   
-  2601   134.5748    988(35)           949.2113          898.3629                                                                   
-  2602   134.6249    950(35)           946.5906          898.3979                                                                   
-  2603   134.6749    965(35)           944.1896          898.4324                                                                   
-  2604   134.7248    960(35)           941.9899          898.4662                                                                   
-  2605   134.7748    910(34)           939.9566          898.4994                                                                   
-  2606   134.8249    913(34)           938.0807          898.5321                                                                   
-  2607   134.8748    930(34)           936.3517          898.5641                                                                   
-  2608   134.9248    978(35)           934.7463          898.5956                                                                   
-  2609   134.9747    879(34)           933.2595          898.6266                                                                   
-  2610   135.0247    910(34)           931.8765          898.6569                                                                   
-  2611   135.0746    958(35)           930.5907          898.6865                                                                   
-  2612   135.1245    1000(35)           929.3897          898.7156                                                                  
-  2613   135.1746    916(34)           928.2678          898.7443                                                                   
-  2614   135.2245    978(35)           927.2200          898.7722                                                                   
-  2615   135.2745    970(35)           926.2392          898.7996                                                                   
-  2616   135.3243    931(34)           925.3229          898.8262                                                                   
-  2617   135.3743    892(33)           924.4575          898.8524                                                                   
-  2618   135.4244    878(33)           923.6450          898.8780                                                                   
-  2619   135.4743    894(34)           922.8829          898.9028                                                                   
-  2620   135.5226    937(30)           922.1870          898.9265                                                                   
-  2621   135.5727    897(29)           921.5060          898.9503                                                                   
-  2622   135.6228    970(31)           920.8644          898.9735                                                                   
-  2623   135.6729    931(30)           920.2576          898.9960                                                                   
-  2624   135.7229    917(30)           919.6852          899.0179                                                                   
-  2625   135.7728    889(29)           919.1437          899.0392                                                                   
-  2626   135.8229    965(30)           918.6300          899.0600                                                                   
-  2627   135.8729    905(30)           918.1428          899.0801                                                                   
-  2628   135.9230    919(30)           917.6810          899.0996                                                                   
-  2629   135.9728    940(30)           917.2435          899.1184                                                                   
-  2630   136.0228    866(29)           916.8265          899.1367                                                                   
-  2631   136.0729    898(29)           916.4293          899.1543                                                                   
-  2632   136.1228    948(30)           916.0529          899.1713                                                                   
-  2633   136.1728    939(30)           915.6927          899.1875                                                                   
-  2634   136.2228    925(30)           915.3503          899.2032                                                                   
-  2635   136.2727    967(31)           915.0236          899.2183                                                                   
-  2636   136.3226    1011(31)           914.7117          899.2328                                                                  
-  2637   136.3726    941(30)           914.4132          899.2466                                                                   
-  2638   136.4226    969(31)           914.1278          899.2598                                                                   
-  2639   136.4726    942(30)           913.8550          899.2723                                                                   
-  2640   136.5225    895(29)           913.5941          899.2844                                                                   
-  2641   136.5723    897(29)           913.3445          899.2955                                                                   
-  2642   136.6224    902(29)           913.1041          899.3062                                                                   
-  2643   136.6724    912(30)           912.8735          899.3162                                                                   
-  2644   136.7224    979(31)           912.6530          899.3255                                                                   
-  2645   136.7580    941(30)           912.5005          899.3317                                                                   
-  2646   136.8081    981(30)           912.2938          899.3401                                                                   
-  2647   136.8582    989(30)           912.0953          899.3477                                                                   
-  2648   136.9083    925(29)           911.9041          899.3547                                                                   
-  2649   136.9583    970(30)           911.7206          899.3609                                                                   
-  2650   137.0082    929(29)           911.5438          899.3666                                                                   
-  2651   137.0583    902(29)           911.3731          899.3715                                                                   
-  2652   137.1083    908(29)           911.2084          899.3758                                                                   
-  2653   137.1584    903(29)           911.0497          899.3795                                                                   
-  2654   137.2082    893(29)           910.8970          899.3826                                                                   
-  2655   137.2582    916(29)           910.7489          899.3848                                                                   
-  2656   137.3083    928(29)           911.3529          899.3865                                                                   
-  2657   137.3582    926(29)           911.2231          899.3875                                                                   
-  2658   137.4082    954(30)           911.0977          899.3879                                                                   
-  2659   137.4582    940(30)           910.9766          899.3876                                                                   
-  2660   137.5081    951(30)           910.8597          899.3865                                                                   
-  2661   137.5580    941(29)           910.7469          899.3848                                                                   
-  2662   137.6080    900(29)           910.6379          899.3825                                                                   
-  2663   137.6580    939(29)           910.5322          899.3795                                                                   
-  2664   137.7080    924(29)           910.4300          899.3758                                                                   
-  2665   137.7579    949(30)           910.3312          899.3713                                                                   
-  2666   137.8077    952(30)           910.2358          899.3663                                                                   
-  2667   137.8578    945(30)           910.1429          899.3605                                                                   
-  2668   137.9078    874(28)           910.0529          899.3541                                                                   
-  2669   137.9577    890(29)           909.9659          899.3470                                                                   
-  2670   137.9958    903(31)           909.9011          899.3411                                                                   
-  2671   138.0459    924(31)           909.8184          899.3328                                                                   
-  2672   138.0960    895(31)           909.7380          899.3237                                                                   
-  2673   138.1461    964(32)           909.6599          899.3139                                                                   
-  2674   138.1961    932(32)           909.5842          899.3035                                                                   
-  2675   138.2460    915(31)           909.5107          899.2925                                                                   
-  2676   138.2961    912(31)           909.4391          899.2806                                                                   
-  2677   138.3461    943(32)           909.3694          899.2681                                                                   
-  2678   138.3962    948(32)           909.3016          899.2549                                                                   
-  2679   138.4460    930(31)           904.9069          899.2410                                                                   
-  2680   138.4960    936(32)           904.9196          899.2264                                                                   
-  2681   138.5461    985(33)           904.9320          899.2110                                                                   
-  2682   138.5960    915(31)           904.9439          899.1949                                                                   
-  2683   138.6460    950(32)           904.9556          899.1783                                                                   
-  2684   138.6960    899(31)           904.9667          899.1608                                                                   
-  2685   138.7459    910(31)           904.9777          899.1427                                                                   
-  2686   138.7958    996(33)           904.9880          899.1237                                                                   
-  2687   138.8458    907(31)           904.9982          899.1042                                                                   
-  2688   138.8958    926(31)           905.0079          899.0838                                                                   
-  2689   138.9458    962(32)           905.0173          899.0627                                                                   
-  2690   138.9957    979(32)           905.0264          899.0411                                                                   
-  2691   139.0455    931(32)           905.0350          899.0186                                                                   
-  2692   139.0956    974(32)           905.0435          898.9954                                                                   
-  2693   139.1456    950(32)           905.0515          898.9714                                                                   
-  2694   139.1955    937(32)           905.0592          898.9468                                                                   
-  2695   139.2425    953(34)           905.0662          898.9229                                                                   
-  2696   139.2926    906(33)           905.0734          898.8967                                                                   
-  2697   139.3426    926(33)           905.0803          898.8699                                                                   
-  2698   139.3927    886(33)           905.0869          898.8422                                                                   
-  2699   139.4427    907(33)           905.0931          898.8139                                                                   
-  2700   139.4927    888(33)           905.0992          898.7849                                                                   
-  2701   139.5427    966(34)           905.1051          898.7551                                                                   
-  2702   139.5928    914(33)           905.1105          898.7244                                                                   
-  2703   139.6428    934(34)           905.1160          898.6932                                                                   
-  2704   139.6927    896(33)           905.1210          898.6613                                                                   
-  2705   139.7427    950(34)           905.1260          898.6285                                                                   
-  2706   139.7928    975(34)           905.1307          898.5948                                                                   
-  2707   139.8426    933(34)           905.1352          898.5606                                                                   
-  2708   139.8927    954(34)           905.1396          898.5256                                                                   
-  2709   139.9426    944(34)           905.1438          898.4898                                                                   
-  2710   139.9925    945(34)           905.1479          898.4533                                                                   
-  2711   140.0424    927(33)           905.1518          898.4160                                                                   
-  2712   140.0924    971(34)           905.1558          898.3781                                                                   
-  2713   140.1425    930(33)           905.1595          898.3391                                                                   
-  2714   140.1924    1020(35)           905.1632          898.2996                                                                  
-  2715   140.2424    927(33)           905.1669          898.2592                                                                   
-  2716   140.2921    943(34)           905.1706          898.2183                                                                   
-  2717   140.3422    961(34)           905.1742          898.1763                                                                   
-  2718   140.3923    997(35)           905.1778          898.1335                                                                   
-  2719   140.4422    907(33)           905.1815          898.0901                                                                   
-  2720   140.5144    947(32)           905.1868          898.0259                                                                   
-  2721   140.5645    940(32)           905.1907          897.9805                                                                   
-  2722   140.6146    910(32)           907.4927          897.9344                                                                   
-  2723   140.6647    890(31)           907.5126          897.8873                                                                   
-  2724   140.7146    1018(34)           907.5329          897.8398                                                                  
-  2725   140.7646    968(33)           907.5533          897.7912                                                                   
-  2726   140.8147    925(32)           907.5743          897.7419                                                                   
-  2727   140.8647    934(32)           907.5958          897.6918                                                                   
-  2728   140.9147    923(32)           907.6176          897.6408                                                                   
-  2729   140.9646    982(33)           907.6401          897.5895                                                                   
-  2730   141.0146    902(32)           907.6629          897.5369                                                                   
-  2731   141.0647    975(33)           907.6865          897.4836                                                                   
-  2732   141.1146    955(33)           907.7106          897.4296                                                                   
-  2733   141.1646    935(32)           907.7355          897.3749                                                                   
-  2734   141.2146    906(32)           907.7610          897.3192                                                                   
-  2735   141.2645    905(32)           907.7873          897.2628                                                                   
-  2736   141.3144    888(32)           907.8143          897.2056                                                                   
-  2737   141.3644    899(32)           907.8425          897.1477                                                                   
-  2738   141.4144    949(33)           907.8714          897.0887                                                                   
-  2739   141.4644    952(32)           907.9014          897.0291                                                                   
-  2740   141.5143    900(32)           907.9326          896.9688                                                                   
-  2741   141.5641    916(32)           907.9646          896.9077                                                                   
-  2742   141.6142    967(33)           907.9980          896.8455                                                                   
-  2743   141.6642    901(32)           908.0328          896.7824                                                                   
-  2744   141.7141    862(31)           908.0688          896.7189                                                                   
-  2745   141.7635    896(30)           908.1060          896.6550                                                                   
-  2746   141.8137    938(31)           908.1450          896.5894                                                                   
-  2747   141.8637    903(31)           908.1856          896.5231                                                                   
-  2748   141.9138    901(30)           908.2281          896.4559                                                                   
-  2749   141.9638    924(31)           908.2722          896.3881                                                                   
-  2750   142.0137    918(31)           908.3182          896.3194                                                                   
-  2751   142.0638    935(31)           908.3664          896.2498                                                                   
-  2752   142.1138    914(31)           908.4167          896.1793                                                                   
-  2753   142.1639    946(31)           908.4695          896.1082                                                                   
-  2754   142.2137    883(30)           908.5242          896.0361                                                                   
-  2755   142.2638    924(31)           908.5818          895.9633                                                                   
-  2756   142.3138    955(31)           908.6423          895.8895                                                                   
-  2757   142.3637    878(30)           908.7053          895.8151                                                                   
-  2758   142.4137    871(30)           908.7714          895.7396                                                                   
-  2759   142.4637    915(31)           908.8409          895.6635                                                                   
-  2760   142.5136    952(31)           908.9136          895.5864                                                                   
-  2761   142.5636    880(30)           908.9899          895.5085                                                                   
-  2762   142.6135    976(32)           909.0701          895.4297                                                                   
-  2763   142.6635    961(31)           909.1545          895.3499                                                                   
-  2764   142.7135    973(32)           909.2434          895.2695                                                                   
-  2765   142.7634    919(31)           909.3365          895.1882                                                                   
-  2766   142.8132    975(32)           909.4343          895.1064                                                                   
-  2767   142.8633    921(31)           909.5378          895.0231                                                                   
-  2768   142.9134    970(32)           909.6469          894.9390                                                                   
-  2769   142.9633    987(32)           909.7615          894.8544                                                                   
-  2770   142.9993    908(32)           909.8480          894.7925                                                                   
-  2771   143.0495    970(33)           909.9740          894.7059                                                                   
-  2772   143.0995    956(32)           910.1069          894.6188                                                                   
-  2773   143.1496    953(32)           910.2472          894.5303                                                                   
-  2774   143.1996    976(33)           910.3951          894.4415                                                                   
-  2775   143.2495    1025(34)           910.5513          894.3517                                                                  
-  2776   143.2996    962(33)           910.7170          894.2609                                                                   
-  2777   143.3496    877(31)           910.8921          894.1691                                                                   
-  2778   143.3997    963(33)           911.0776          894.0766                                                                   
-  2779   143.4495    947(32)           911.2734          893.9835                                                                   
-  2780   143.4996    970(33)           911.4816          893.8892                                                                   
-  2781   143.5496    902(32)           911.7027          893.7939                                                                   
-  2782   143.5995    912(32)           911.9364          893.6981                                                                   
-  2783   143.6495    957(32)           912.1857          893.6012                                                                   
-  2784   143.6995    910(31)           912.4498          893.5034                                                                   
-  2785   143.7494    972(33)           912.7308          893.4048                                                                   
-  2786   143.7993    910(32)           913.0300          893.3053                                                                   
-  2787   143.8493    915(32)           913.3492          893.2049                                                                   
-  2788   143.8993    830(30)           913.6898          893.1034                                                                   
-  2789   143.9493    876(31)           914.0530          893.0012                                                                   
-  2790   143.9992    915(32)           914.4409          892.8981                                                                   
-  2791   144.0490    958(32)           914.8546          892.7944                                                                   
-  2792   144.0991    971(33)           915.2996          892.6891                                                                   
-  2793   144.1492    870(31)           915.7770          892.5831                                                                   
-  2794   144.1991    932(32)           916.2874          892.4764                                                                   
-  2795   144.2474    841(30)           916.8180          892.3723                                                                   
-  2796   144.2975    881(31)           917.4090          892.2634                                                                   
-  2797   144.3476    902(31)           918.0447          892.1536                                                                   
-  2798   144.3977    937(32)           918.7314          892.0428                                                                   
-  2799   144.4476    905(31)           919.4716          891.9315                                                                   
-  2800   144.4976    964(32)           920.2711          891.8192                                                                   
-  2801   144.5477    870(30)           921.1403          891.7058                                                                   
-  2802   144.5977    907(31)           922.0828          891.5916                                                                   
-  2803   144.6477    896(31)           923.1085          891.4763                                                                   
-  2804   144.6976    868(30)           924.2225          891.3606                                                                   
-  2805   144.7476    905(31)           925.4434          891.2435                                                                   
-  2806   144.7977    937(32)           926.7832          891.1254                                                                   
-  2807   144.8476    900(31)           928.2509          891.0067                                                                   
-  2808   144.8976    861(30)           929.8801          890.8868                                                                   
-  2809   144.9475    946(32)           931.6899          890.7663                                                                   
-  2810   144.9975    873(30)           933.7245          890.6448                                                                   
-  2811   145.0474    934(32)           936.0422          890.5223                                                                   
-  2812   145.0973    937(32)           938.7305          890.3988                                                                   
-  2813   145.1474    908(31)           941.9219          890.2742                                                                   
-  2814   145.1973    934(32)           945.7950          890.1487                                                                   
-  2815   145.2473    959(32)           950.6309          890.0225                                                                   
-  2816   145.2971    1018(33)           956.8174          889.8956                                                                  
-  2817   145.3471    914(31)           964.9747          889.7670                                                                   
-  2818   145.3972    953(32)           975.8706          889.6376                                                                   
-  2819   145.4471    942(32)           990.4856          889.5074                                                                   
-  2820   145.5100    1013(35)          1016.3443          889.3422                                                                  
-  2821   145.5601    921(33)          1044.9298          889.2095                                                                   
-  2822   145.6102    1048(36)          1082.7581          889.0760                                                                  
-  2823   145.6603    1051(35)          1132.0463          888.9413                                                                  
-  2824   145.7102    1101(36)          1194.7737          888.8061                                                                  
-  2825   145.7602    1198(38)          1273.0669          888.6698                                                                  
-  2826   145.8102    1429(42)          1368.6967          888.5323                                                                  
-  2827   145.8603    1548(44)          1482.0613          888.3939                                                                  
-  2828   145.9103    1700(46)          1612.9351          888.2545                                                                  
-  2829   145.9602    1898(49)          1758.7554          888.1147                                                                  
-  2830   146.0102    2125(52)          1917.2946          887.9734                                                                  
-  2831   146.0603    2190(53)          2082.6982          887.8309                                                                  
-  2832   146.1102    2311(54)          2247.4229          887.6880                                                                  
-  2833   146.1602    2478(56)          2403.6914          887.5438                                                                  
-  2834   146.2101    2516(57)          2540.9170          887.3987                                                                  
-  2835   146.2601    2732(60)          2648.6746          887.2527                                                                  
-  2836   146.3100    2677(59)          2717.2930          887.1058                                                                  
-  2837   146.3599    2798(60)          2739.7385          886.9578                                                                  
-  2838   146.4100    2813(60)          2713.4014          886.8085                                                                  
-  2839   146.4599    2502(56)          2641.3047          886.6585                                                                  
-  2840   146.5099    2342(55)          2530.6904          886.5074                                                                  
-  2841   146.5596    2358(55)          2392.0444          886.3559                                                                  
-  2842   146.6097    2124(52)          2234.4824          886.2025                                                                  
-  2843   146.6598    1970(49)          2068.7598          886.0482                                                                  
-  2844   146.7097    1818(47)          1904.1790          885.8932                                                                  
-  2845   146.7593    1641(44)          1747.5295          885.7382                                                                  
-  2846   146.8094    1578(43)          1601.8450          885.5806                                                                  
-  2847   146.8595    1516(43)          1472.0653          885.4222                                                                  
-  2848   146.9096    1360(40)          1359.7676          885.2626                                                                  
-  2849   146.9596    1369(40)          1265.6700          885.1025                                                                  
-  2850   147.0095    1285(39)          1188.4611          884.9412                                                                  
-  2851   147.0596    1200(37)          1126.6351          884.7787                                                                  
-  2852   147.1096    1149(37)          1078.2657          884.6152                                                                  
-  2853   147.1597    1216(38)          1041.1429          884.4508                                                                  
-  2854   147.2095    1140(36)          1013.1990          884.2858                                                                  
-  2855   147.2595    1033(35)           992.2328          884.1193                                                                  
-  2856   147.3096    985(34)           976.6437          883.9516                                                                   
-  2857   147.3595    997(34)           965.0978          883.7834                                                                   
-  2858   147.4095    970(34)           956.4274          883.6139                                                                   
-  2859   147.4595    1017(34)           949.8281          883.4433                                                                  
-  2860   147.5094    974(34)           944.6990          883.2720                                                                   
-  2861   147.5593    1018(35)           940.6025          883.0996                                                                  
-  2862   147.6093    975(34)           937.2335          882.9261                                                                   
-  2863   147.6593    941(33)           934.3879          882.7511                                                                   
-  2864   147.7093    995(34)           931.9390          882.5754                                                                   
-  2865   147.7592    972(34)           929.7885          882.3987                                                                   
-  2866   147.8090    927(33)           927.8819          882.2217                                                                   
-  2867   147.8591    942(33)           926.1545          882.0424                                                                   
-  2868   147.9091    933(33)           924.5923          881.8621                                                                   
-  2869   147.9590    885(32)           923.1739          881.6814                                                                   
-  2870   148.0009    997(32)           922.0773          881.5288                                                                   
-  2871   148.0510    1008(32)           920.8668          881.3454                                                                  
-  2872   148.1011    999(32)           919.7558          881.1609                                                                   
-  2873   148.1512    981(31)           918.7319          880.9753                                                                   
-  2874   148.2012    961(31)           917.7903          880.7893                                                                   
-  2875   148.2511    979(31)           916.9205          880.6021                                                                   
-  2876   148.3012    981(31)           916.1141          880.4135                                                                   
-  2877   148.3512    983(31)           915.3673          880.2238                                                                   
-  2878   148.4013    974(31)           914.6750          880.0332                                                                   
-  2879   148.4511    941(31)           914.0345          879.8421                                                                   
-  2880   148.5011    991(31)           913.4380          879.6493                                                                   
-  2881   148.5512    993(32)           912.8824          879.4551                                                                   
-  2882   148.6011    970(31)           912.3682          879.2606                                                                   
-  2883   148.6511    980(31)           911.8884          879.0646                                                                   
-  2884   148.7010    975(31)           911.4428          878.8679                                                                   
-  2885   148.7510    986(31)           911.0283          878.6697                                                                   
-  2886   148.8009    1020(32)           910.6429          878.4708                                                                  
-  2887   148.8509    955(31)           910.2846          878.2707                                                                   
-  2888   148.9009    1033(32)           909.9511          878.0690                                                                  
-  2889   148.9509    958(31)           909.6422          877.8667                                                                   
-  2890   149.0008    1008(32)           909.3562          877.6632                                                                  
-  2891   149.0506    1006(32)           909.0923          877.4593                                                                  
-  2892   149.1007    976(31)           908.8476          877.2531                                                                   
-  2893   149.1507    1039(32)           908.6225          877.0459                                                                  
-  2894   149.2006    954(31)           908.4165          876.8383                                                                   
-  2895   149.2492    1021(32)           908.2334          876.6351                                                                  
-  2896   149.2993    971(31)           908.0615          876.4246                                                                   
-  2897   149.3493    1014(32)           907.9059          876.2128                                                                  
-  2898   149.3994    951(31)           907.7664          875.9998                                                                   
-  2899   149.4494    990(32)           907.6428          875.7863                                                                   
-  2900   149.4994    1045(33)           907.5343          875.5716                                                                  
-  2901   149.5494    1012(32)           907.4404          875.3557                                                                  
-  2902   149.5995    995(32)           907.3610          875.1383                                                                   
-  2903   149.6495    938(31)           907.2958          874.9201                                                                   
-  2904   149.6994    936(31)           907.2445          874.7012                                                                   
-  2905   149.7494    970(31)           907.2070          874.4810                                                                   
-  2906   149.7995    966(31)           907.1831          874.2589                                                                   
-  2907   149.8493    955(31)           907.1727          874.0368                                                                   
-  2908   149.8994    914(30)           907.1758          873.8129                                                                   
-  2909   149.9493    872(30)           907.1925          873.5882                                                                   
-  2910   149.9992    933(31)           907.2224          873.3622                                                                   
-  2911   150.0492    885(30)           907.2658          873.1353                                                                   
-  2912   150.0991    945(31)           907.3228          872.9071                                                                   
-  2913   150.1492    911(30)           907.3940          872.6775                                                                   
-  2914   150.1991    949(31)           907.4789          872.4468                                                                   
-  2915   150.2491    937(31)           907.5778          872.2153                                                                   
-  2916   150.2988    927(31)           907.6904          871.9833                                                                   
-  2917   150.3489    923(31)           907.8184          871.7488                                                                   
-  2918   150.3990    924(31)           907.9612          871.5132                                                                   
-  2919   150.4489    935(31)           908.1190          871.2772                                                                   
-  2920   150.4855    867(28)           908.2440          871.1032                                                                   
-  2921   150.5356    890(29)           908.4296          870.8644                                                                   
-  2922   150.5856    878(29)           908.6312          870.6243                                                                   
-  2923   150.6357    918(29)           908.8496          870.3827                                                                   
-  2924   150.6857    911(29)           909.0848          870.1410                                                                   
-  2925   150.7357    880(29)           909.3377          869.8981                                                                   
-  2926   150.7857    824(28)           909.6095          869.6533                                                                   
-  2927   150.8358    826(28)           909.8998          869.4076                                                                   
-  2928   150.8858    932(29)           910.2100          869.1605                                                                   
-  2929   150.9357    875(29)           910.5392          868.9134                                                                   
-  2930   150.9857    890(29)           910.8907          868.6639                                                                   
-  2931   151.0358    872(28)           911.2644          868.4133                                                                   
-  2932   151.0856    868(29)           911.6599          868.1625                                                                   
-  2933   151.1357    886(29)           912.0798          867.9098                                                                   
-  2934   151.1856    903(29)           912.5235          867.6560                                                                   
-  2935   151.2355    902(29)           912.9935          867.4012                                                                   
-  2936   151.2854    895(29)           913.4897          867.1455                                                                   
-  2937   151.3354    823(28)           914.0152          866.8882                                                                   
-  2938   151.3855    866(28)           914.5706          866.6293                                                                   
-  2939   151.4354    837(28)           915.1553          866.3696                                                                   
-  2940   151.4854    880(29)           915.7729          866.1088                                                                   
-  2941   151.5351    868(28)           916.4221          865.8479                                                                   
-  2942   151.5852    845(28)           917.1105          865.5837                                                                   
-  2943   151.6353    877(29)           917.8367          865.3188                                                                   
-  2944   151.6852    849(28)           918.5988          865.0533                                                                   
-  2945   151.7398    875(28)           919.4811          864.7613                                                                   
-  2946   151.7899    887(29)           920.3366          864.4923                                                                   
-  2947   151.8400    883(29)           921.2385          864.2221                                                                   
-  2948   151.8901    846(28)           922.1887          863.9507                                                                   
-  2949   151.9400    874(28)           923.1881          863.6787                                                                   
-  2950   151.9900    876(28)           924.2421          863.4056                                                                   
-  2951   152.0401    907(29)           925.3563          863.1306                                                                   
-  2952   152.0901    843(28)           926.5310          862.8545                                                                   
-  2953   152.1401    844(28)           927.7697          862.5772                                                                   
-  2954   152.1900    874(28)           929.0732          862.2998                                                                   
-  2955   152.2400    884(29)           930.4534          862.0201                                                                   
-  2956   152.2901    899(29)           931.9119          861.7388                                                                   
-  2957   152.3400    859(28)           933.4485          861.4575                                                                   
-  2958   152.3900    884(29)           935.0765          861.1741                                                                   
-  2959   152.4399    879(28)           936.7962          860.8896                                                                   
-  2960   152.4899    849(28)           938.6163          860.6044                                                                   
-  2961   152.5398    883(29)           940.5406          860.3177                                                                   
-  2962   152.5898    877(28)           942.5825          860.0298                                                                   
-  2963   152.6398    910(29)           944.7521          859.7400                                                                   
-  2964   152.6897    868(28)           947.0499          859.4493                                                                   
-  2965   152.7397    896(29)           949.4962          859.1577                                                                   
-  2966   152.7895    874(28)           952.0870          858.8655                                                                   
-  2967   152.8396    891(29)           954.8717          858.5705                                                                   
-  2968   152.8896    859(28)           957.8461          858.2744                                                                   
-  2969   152.9395    883(29)           961.0263          857.9777                                                                   
-  2970   152.9973    930(31)           965.0122          857.6331                                                                   
-  2971   153.0473    867(30)           968.7760          857.3326                                                                   
-  2972   153.0974    927(31)           972.8744          857.0311                                                                   
-  2973   153.1475    930(31)           977.3710          856.7279                                                                   
-  2974   153.1975    941(31)           982.3264          856.4245                                                                   
-  2975   153.2474    969(31)           987.8545          856.1198                                                                   
-  2976   153.2975    906(30)           994.1019          855.8131                                                                   
-  2977   153.3475    897(30)          1001.2152          855.5054                                                                   
-  2978   153.3976    921(31)          1009.4221          855.1961                                                                   
-  2979   153.4474    919(30)          1018.9490          854.8870                                                                   
-  2980   153.4975    894(30)          1030.2222          854.5754                                                                   
-  2981   153.5475    878(30)          1043.6353          854.2622                                                                   
-  2982   153.5974    921(31)          1059.6687          853.9489                                                                   
-  2983   153.6474    904(30)          1079.0577          853.6334                                                                   
-  2984   153.6974    932(31)          1102.5206          853.3171                                                                   
-  2985   153.7473    909(30)          1130.9911          852.9996                                                                   
-  2986   153.7972    989(32)          1165.5735          852.6809                                                                   
-  2987   153.8472    929(31)          1207.5576          852.3607                                                                   
-  2988   153.8972    928(31)          1258.4629          852.0386                                                                   
-  2989   153.9472    1044(33)          1319.7094          851.7155                                                                  
-  2990   153.9971    1044(33)          1393.0906          851.3916                                                                  
-  2991   154.0469    1029(32)          1480.2268          851.0672                                                                  
-  2992   154.0970    1095(33)          1583.9519          850.7396                                                                  
-  2993   154.1470    1212(35)          1705.7844          850.4106                                                                  
-  2994   154.1969    1331(37)          1847.0381          850.0815                                                                  
-  2995   154.2448    1524(40)          2003.1924          849.7644                                                                  
-  2996   154.2949    1744(43)          2189.4856          849.4314                                                                  
-  2997   154.3450    1963(46)          2400.2627          849.0972                                                                  
-  2998   154.3951    2427(52)          2636.8728          848.7615                                                                  
-  2999   154.4451    2891(57)          2898.5056          848.4255                                                                  
-  3000   154.4950    3271(61)          3185.4331          848.0879                                                                  
-  3001   154.5451    3591(65)          3497.0662          847.7485                                                                  
-  3002   154.5951    4248(71)          3830.8516          847.4078                                                                  
-  3003   154.6452    4713(76)          4183.8125          847.0659                                                                  
-  3004   154.6950    5098(79)          4550.6338          846.7238                                                                  
-  3005   154.7450    5594(84)          4928.6396          846.3792                                                                  
-  3006   154.7951    5818(86)          5312.0264          846.0328                                                                  
-  3007   154.8450    6192(89)          5691.2212          845.6866                                                                  
-  3008   154.8950    6599(92)          6061.6592          845.3380                                                                  
-  3009   154.9450    6976(96)          6413.4385          844.9884                                                                  
-  3010   154.9949    7353(99)          6738.0342          844.6377                                                                  
-  3011   155.0448    7641(101)          7026.6460          844.2857                                                                 
-  3012   155.0948    7776(102)          7270.5312          843.9320                                                                 
-  3013   155.1448    7893(103)          7461.4619          843.5765                                                                 
-  3014   155.1948    7918(103)          7592.0586          843.2201                                                                 
-  3015   155.2447    7875(103)          7657.3398          842.8625                                                                 
-  3016   155.2945    7726(101)          7654.9814          842.5048                                                                 
-  3017   155.3446    7716(101)          7584.7373          842.1434                                                                 
-  3018   155.3947    7527(100)          7449.2437          841.7807                                                                 
-  3019   155.4445    7160(97)          7253.8262          841.4178                                                                  
-  3020   155.4971    6822(93)          6992.0044          841.0342                                                                  
-  3021   155.5472    6701(92)          6697.0986          840.6670                                                                  
-  3022   155.5973    6248(88)          6367.2598          840.2987                                                                  
-  3023   155.6474    5780(84)          6011.4170          839.9290                                                                  
-  3024   155.6974    5381(81)          5639.3003          839.5585                                                                  
-  3025   155.7473    4889(76)          5258.0425          839.1870                                                                  
-  3026   155.7974    4403(72)          4874.8975          838.8131                                                                  
-  3027   155.8474    4144(70)          4497.0059          838.4380                                                                  
-  3028   155.8975    3565(64)          4130.3467          838.0616                                                                  
-  3029   155.9473    3304(61)          3780.5137          837.6852                                                                  
-  3030   155.9973    3130(60)          3449.1677          837.3062                                                                  
-  3031   156.0474    2900(57)          3139.8948          836.9250                                                                  
-  3032   156.0973    2707(55)          2856.2148          836.5444                                                                  
-  3033   156.1473    2511(52)          2597.0776          836.1610                                                                  
-  3034   156.1973    2333(50)          2363.9778          835.7769                                                                  
-  3035   156.2472    2234(49)          2156.2393          835.3914                                                                  
-  3036   156.2971    2066(47)          1973.0789          835.0044                                                                  
-  3037   156.3471    1885(45)          1813.0427          834.6162                                                                  
-  3038   156.3971    1831(44)          1674.1825          834.2255                                                                  
-  3039   156.4471    1703(42)          1555.2595          833.8341                                                                  
-  3040   156.4970    1537(40)          1454.0380          833.4414                                                                  
-  3041   156.5468    1392(38)          1368.8604          833.0487                                                                  
-  3042   156.5969    1404(38)          1296.8463          832.6522                                                                  
-  3043   156.6469    1340(37)          1236.8635          832.2541                                                                  
-  3044   156.6968    1261(36)          1187.2118          831.8562                                                                  
-  3045   156.7457    1178(35)          1146.8724          831.4648                                                                  
-  3046   156.7958    1197(35)          1112.6877          831.0624                                                                  
-  3047   156.8459    1101(34)          1084.4731          830.6588                                                                  
-  3048   156.8960    1090(34)          1061.1711          830.2533                                                                  
-  3049   156.9460    1044(33)          1041.9290          829.8476                                                                  
-  3050   156.9959    1071(33)          1025.8844          829.4404                                                                  
-  3051   157.0460    1022(33)          1012.3896          829.0311                                                                  
-  3052   157.0960    1028(33)          1000.9750          828.6203                                                                  
-  3053   157.1461    979(32)           991.2194          828.2081                                                                   
-  3054   157.1959    975(32)           982.8057          827.7960                                                                   
-  3055   157.2459    938(31)           975.4183          827.3809                                                                   
-  3056   157.2960    909(31)           968.8707          826.9642                                                                   
-  3057   157.3459    902(30)           963.0291          826.5473                                                                   
-  3058   157.3959    918(31)           957.7346          826.1283                                                                   
-  3059   157.4459    924(31)           952.9039          825.7082                                                                   
-  3060   157.4958    980(32)           948.4578          825.2863                                                                   
-  3061   157.5457    930(31)           944.3438          824.8635                                                                   
-  3062   157.5957    909(31)           940.5056          824.4390                                                                   
-  3063   157.6457    897(30)           936.9067          824.0120                                                                   
-  3064   157.6957    914(31)           933.5317          823.5842                                                                   
-  3065   157.7456    927(31)           930.3513          823.1554                                                                   
-  3066   157.7954    915(31)           927.3583          822.7263                                                                   
-  3067   157.8455    876(30)           924.5043          822.2931                                                                   
-  3068   157.8955    872(30)           921.8009          821.8587                                                                   
-  3069   157.9454    869(30)           919.2411          821.4240                                                                   
-  3070   157.9840    881(33)           917.3469          821.0868                                                                   
-  3071   158.0341    871(32)           914.9951          820.6479                                                                   
-  3072   158.0842    843(32)           912.7542          820.2076                                                                   
-  3073   158.1343    894(33)           910.6161          819.7656                                                                   
-  3074   158.1842    906(33)           908.5826          819.3234                                                                   
-  3075   158.2342    892(33)           906.6378          818.8796                                                                   
-  3076   158.2843    919(33)           904.7765          818.4336                                                                   
-  3077   158.3343    867(32)           902.9955          817.9858                                                                   
-  3078   158.3844    910(33)           901.2911          817.5370                                                                   
-  3079   158.4342    833(31)           899.6649          817.0881                                                                   
-  3080   158.4842    873(32)           898.1002          816.6363                                                                   
-  3081   158.5343    881(33)           896.5981          816.1824                                                                   
-  3082   158.5842    910(33)           895.1616          815.7287                                                                   
-  3083   158.6342    835(32)           893.7797          815.2722                                                                   
-  3084   158.6842    888(33)           892.4525          814.8149                                                                   
-  3085   158.7341    869(32)           891.1781          814.3561                                                                   
-  3086   158.7840    852(32)           889.9530          813.8960                                                                   
-  3087   158.8340    897(33)           888.7744          813.4341                                                                   
-  3088   158.8840    904(33)           887.6371          812.9697                                                                   
-  3089   158.9340    899(33)           886.5449          812.5046                                                                   
-  3090   158.9839    975(34)           885.4927          812.0381                                                                   
-  3091   159.0337    887(32)           884.4834          811.5717                                                                   
-  3092   159.0838    888(33)           883.5037          811.1006                                                                   
-  3093   159.1338    895(33)           882.5610          810.6287                                                                   
-  3094   159.1837    888(33)           881.6542          810.1562                                                                   
-  3095   159.2378    933(35)           880.7087          809.6426                                                                   
-  3096   159.2879    921(34)           879.8651          809.1652                                                                   
-  3097   159.3380    859(33)           879.0523          808.6865                                                                   
-  3098   159.3881    874(33)           878.2678          808.2060                                                                   
-  3099   159.4380    898(34)           877.5134          807.7252                                                                   
-  3100   159.4880    865(33)           876.7852          807.2428                                                                   
-  3101   159.5381    905(34)           876.0822          806.7581                                                                   
-  3102   159.5881    924(34)           875.4036          806.2718                                                                   
-  3103   159.6382    881(34)           874.7496          805.7840                                                                   
-  3104   159.6880    859(33)           874.1212          805.2964                                                                   
-  3105   159.7380    933(34)           873.5139          804.8057                                                                   
-  3106   159.7881    979(35)           872.9271          804.3127                                                                   
-  3107   159.8380    937(35)           872.3644          803.8202                                                                   
-  3108   159.8880    882(33)           871.8213          803.3248                                                                   
-  3109   159.9379    924(34)           871.2985          802.8285                                                                   
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-  3111   160.0378    930(34)           870.3122          801.8312                                                                   
-  3112   160.0878    902(34)           869.8476          801.3300                                                                   
-  3113   160.1378    942(35)           869.4003          800.8263                                                                   
-  3114   160.1878    963(35)           868.9716          800.3218                                                                   
-  3115   160.2377    865(33)           868.5609          799.8159                                                                   
-  3116   160.2875    941(35)           868.1692          799.3102                                                                   
-  3117   160.3376    913(34)           867.7915          798.7997                                                                   
-  3118   160.3876    964(35)           867.4313          798.2877                                                                   
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-  3120   160.4963    963(39)           866.7060          797.1711                                                                   
-  3121   160.5464    914(39)           866.3972          796.6538                                                                   
-  3122   160.5964    961(39)           866.1049          796.1351                                                                   
-  3123   160.6465    973(39)           865.8279          795.6143                                                                   
-  3124   160.6965    943(39)           865.5674          795.0935                                                                   
-  3125   160.7464    881(37)           865.3226          794.5710                                                                   
-  3126   160.7965    928(38)           865.0927          794.0458                                                                   
-  3127   160.8465    908(38)           864.8781          793.5193                                                                   
-  3128   160.8966    901(38)           864.6788          792.9910                                                                   
-  3129   160.9464    919(38)           864.4951          792.4631                                                                   
-  3130   160.9965    937(39)           864.3267          791.9318                                                                   
-  3131   161.0466    947(39)           864.1727          791.3979                                                                   
-  3132   161.0964    960(39)           864.0348          790.8650                                                                   
-  3133   161.1464    903(37)           863.9116          790.3289                                                                   
-  3134   161.1964    896(37)           863.8042          789.7917                                                                   
-  3135   161.2463    999(40)           863.7120          789.2532                                                                   
-  3136   161.2962    911(38)           863.6349          788.7130                                                                   
-  3137   161.3462    962(39)           863.5739          788.1711                                                                   
-  3138   161.3962    936(38)           863.5279          787.6263                                                                   
-  3139   161.4462    945(39)           863.4979          787.0808                                                                   
-  3140   161.4961    934(38)           863.4836          786.5338                                                                   
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-  3142   161.5960    983(39)           863.5042          785.4353                                                                   
-  3143   161.6461    903(38)           863.5394          784.8820                                                                   
-  3144   161.6960    946(38)           863.5905          784.3289                                                                   
-  3145   161.7520    924(43)           863.6693          783.7056                                                                   
-  3146   161.8021    961(43)           863.7574          783.1465                                                                   
-  3147   161.8522    909(42)           863.8649          782.5864                                                                   
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-  3149   161.9522    886(41)           864.1326          781.4617                                                                   
-  3150   162.0022    934(43)           864.2953          780.8975                                                                   
-  3151   162.0523    923(42)           864.4772          780.3304                                                                   
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-  3153   162.1523    1005(44)           864.9034          779.1920                                                                  
-  3154   162.2022    921(42)           865.1467          778.6223                                                                   
-  3155   162.2522    957(43)           865.4134          778.0491                                                                   
-  3156   162.3023    1002(45)           865.7035          777.4734                                                                  
-  3157   162.3522    937(42)           866.0164          776.8983                                                                   
-  3158   162.4022    924(42)           866.3540          776.3201                                                                   
-  3159   162.4521    926(42)           866.7177          775.7407                                                                   
-  3160   162.5021    954(43)           867.1078          775.1602                                                                   
-  3161   162.5520    878(41)           867.5257          774.5775                                                                   
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-  3164   162.7020    878(41)           868.9641          772.8179                                                                   
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-  3180   163.5119    912(59)           883.9257          763.0439                                                                   
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-  3189   163.9616    982(63)           902.3919          757.4177                                                                   
-  3190   164.0116    917(59)           905.2501          756.7838                                                                   
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-  3193   164.1615    1058(64)           915.1559          754.8711                                                                  
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+   119    10.2810    839(30)           749.0101          749.0101                                                                   
+   120    10.3361    805(32)           749.3110          749.3110                                                                   
+   121    10.3862    737(30)           749.5836          749.5836                                                                   
+   122    10.4363    815(32)           749.8550          749.8550                                                                   
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+   127    10.6864    727(30)           751.1970          751.1970                                                                   
+   128    10.7364    752(30)           751.4627          751.4627                                                                   
+   129    10.7863    764(30)           751.7264          751.7264                                                                   
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+   131    10.8864    753(31)           752.2532          752.2532                                                                   
+   132    10.9362    794(31)           752.5144          752.5144                                                                   
+   133    10.9863    777(31)           752.7753          752.7753                                                                   
+   134    11.0362    791(31)           753.0350          753.0350                                                                   
+   135    11.0861    789(31)           753.2936          753.2936                                                                   
+   136    11.1361    785(31)           753.5513          753.5513                                                                   
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+   138    11.2361    754(30)           754.0647          754.0647                                                                   
+   139    11.2860    787(31)           754.3198          754.3198                                                                   
+   140    11.3360    813(32)           754.5740          754.5740                                                                   
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+   142    11.4358    731(30)           755.0793          755.0793                                                                   
+   143    11.4859    726(30)           755.3313          755.3313                                                                   
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+   145    11.5855    762(29)           755.8302          755.8302                                                                   
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+   147    11.6857    803(30)           756.3282          756.3282                                                                   
+   148    11.7358    756(29)           756.5760          756.5760                                                                   
+   149    11.7858    768(29)           756.8220          756.8220                                                                   
+   150    11.8357    790(30)           757.0672          757.0672                                                                   
+   151    11.8858    734(28)           757.3120          757.3120                                                                   
+   152    11.9358    784(29)           757.5558          757.5558                                                                   
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+   155    12.0857    753(29)           758.2809          758.2809                                                                   
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+   165    12.5854    788(30)           760.6406          760.6406                                                                   
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+   167    12.6853    762(29)           761.1017          761.1017                                                                   
+   168    12.7353    769(29)           761.3317          761.3317                                                                   
+   169    12.7852    786(29)           761.5599          761.5599                                                                   
+   170    12.8246    764(28)           761.7393          761.7393                                                                   
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+   172    12.9247    747(28)           762.1935          762.1935                                                                   
+   173    12.9748    786(28)           762.4195          762.4195                                                                   
+   174    13.0248    766(28)           762.6439          762.6439                                                                   
+   175    13.0748    777(28)           762.8674          762.8674                                                                   
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+   177    13.1749    728(27)           763.3129          763.3129                                                                   
+   178    13.2249    757(28)           763.5342          763.5342                                                                   
+   179    13.2748    782(28)           763.7539          763.7539                                                                   
+   180    13.3248    764(28)           763.9735          763.9735                                                                   
+   181    13.3749    733(27)           764.1926          764.1926                                                                   
+   182    13.4247    746(28)           764.4098          764.4098                                                                   
+   183    13.4747    760(28)           764.6268          764.6268                                                                   
+   184    13.5247    784(28)           764.8429          764.8429                                                                   
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+   188    13.7245    759(28)           765.6984          765.6984                                                                   
+   189    13.7745    754(28)           765.9102          765.9102                                                                   
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+   192    13.9243    740(28)           766.5403          766.5403                                                                   
+   193    13.9744    722(27)           766.7491          766.7491                                                                   
+   194    14.0243    779(28)           766.9565          766.9565                                                                   
+   195    14.0790    740(28)           767.1832          767.1832                                                                   
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+   197    14.1792    785(29)           767.5953          767.5953                                                                   
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+   199    14.2792    733(28)           768.0037          768.0037                                                                   
+   200    14.3292    725(28)           768.2064          768.2064                                                                   
+   201    14.3793    755(29)           768.4087          768.4087                                                                   
+   202    14.4293    765(29)           768.6100          768.6100                                                                   
+   203    14.4794    801(29)           768.8106          768.8106                                                                   
+   204    14.5292    805(29)           769.0096          769.0096                                                                   
+   205    14.5792    756(29)           769.2084          769.2084                                                                   
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+   214    15.0290    741(28)           772.5261          770.9606                                                                   
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+   216    15.1287    765(29)           772.9502          771.3404                                                                   
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+   218    15.2288    797(29)           773.3749          771.7187                                                                   
+   219    15.2787    744(28)           773.5861          771.9060                                                                   
+   220    15.3350    724(27)           773.8242          772.1165                                                                   
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+   222    15.4352    796(28)           774.2469          772.4885                                                                   
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+   226    15.6353    773(28)           775.0889          773.2219                                                                   
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+   230    15.8353    769(28)           775.9283          773.9426                                                                   
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+   234    16.0352    719(27)           776.7672          774.6509                                                                   
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+   236    16.1350    720(27)           777.1865          775.0001                                                                   
+   237    16.1850    775(28)           777.3964          775.1737                                                                   
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+   239    16.2850    724(27)           777.8173          775.5189                                                                   
+   240    16.3349    763(28)           778.0278          775.6902                                                                   
+   241    16.3847    755(27)           778.2378          775.8601                                                                   
+   242    16.4348    747(27)           778.4495          776.0304                                                                   
+   243    16.4849    736(27)           778.6614          776.1998                                                                   
+   244    16.5348    752(27)           778.8730          776.3680                                                                   
+   245    16.5691    796(29)           779.0192          776.4835                                                                   
+   246    16.6192    750(28)           779.2324          776.6509                                                                   
+   247    16.6693    784(29)           779.4460          776.8177                                                                   
+   248    16.7194    785(29)           779.6603          776.9838                                                                   
+   249    16.7694    787(29)           779.8746          777.1487                                                                   
+   250    16.8193    742(28)           780.0895          777.3128                                                                   
+   251    16.8694    750(28)           780.3056          777.4765                                                                   
+   252    16.9194    728(28)           780.5224          777.6395                                                                   
+   253    16.9695    761(28)           780.7400          777.8016                                                                   
+   254    17.0193    733(28)           780.9578          777.9626                                                                   
+   255    17.0694    713(27)           781.1770          778.1232                                                                   
+   256    17.1194    761(28)           781.3978          778.2834                                                                   
+   257    17.1693    704(27)           781.6187          778.4422                                                                   
+   258    17.2193    727(28)           781.8412          778.6006                                                                   
+   259    17.2693    770(28)           782.0648          778.7582                                                                   
+   260    17.3192    762(28)           782.2897          778.9150                                                                   
+   261    17.3691    783(29)           782.5159          779.0710                                                                   
+   262    17.4191    803(29)           782.7438          779.2264                                                                   
+   263    17.4691    688(27)           782.9736          779.3813                                                                   
+   264    17.5191    773(29)           783.2049          779.5354                                                                   
+   265    17.5690    786(29)           783.4378          779.6886                                                                   
+   266    17.6188    792(29)           783.6720          779.8406                                                                   
+   267    17.6689    805(29)           783.9095          779.9928                                                                   
+   268    17.7190    740(28)           784.1493          780.1443                                                                   
+   269    17.7689    787(29)           784.3906          780.2945                                                                   
+   270    17.8060    771(28)           784.5721          780.4061                                                                   
+   271    17.8561    774(28)           784.8187          780.5557                                                                   
+   272    17.9062    763(28)           785.0681          780.7046                                                                   
+   273    17.9563    780(28)           785.3204          780.8528                                                                   
+   274    18.0063    821(29)           785.5751          780.9999                                                                   
+   275    18.0562    790(29)           785.8331          781.1463                                                                   
+   276    18.1063    792(29)           786.0953          781.2924                                                                   
+   277    18.1563    765(28)           786.3609          781.4376                                                                   
+   278    18.2064    779(28)           786.6304          781.5821                                                                   
+   279    18.2562    769(28)           786.9032          781.7254                                                                   
+   280    18.3062    735(28)           787.1813          781.8685                                                                   
+   281    18.3563    785(29)           787.4645          782.0111                                                                   
+   282    18.4062    716(27)           787.7516          782.1525                                                                   
+   283    18.4562    734(27)           788.0449          782.2936                                                                   
+   284    18.5062    785(29)           788.3434          782.4337                                                                   
+   285    18.5561    724(27)           788.6479          782.5732                                                                   
+   286    18.6060    753(28)           788.9586          782.7119                                                                   
+   287    18.6560    757(28)           789.2766          782.8500                                                                   
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+   289    18.7560    770(28)           789.9354          783.1244                                                                   
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+   291    18.8557    808(29)           790.6258          783.3954                                                                   
+   292    18.9058    773(28)           790.9867          783.5306                                                                   
+   293    18.9558    797(29)           791.3576          783.6649                                                                   
+   294    19.0057    763(28)           791.7383          783.7982                                                                   
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+   299    19.2511    786(29)           793.7993          784.4438                                                                   
+   300    19.3011    798(30)           794.2644          784.5732                                                                   
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+   306    19.6012    783(29)           797.5048          785.3372                                                                   
+   307    19.6511    776(29)           798.1373          785.4619                                                                   
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+   309    19.7510    774(29)           799.5159          785.7098                                                                   
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+   311    19.8509    792(30)           801.0853          785.9550                                                                   
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+   327    20.6671    1064(37)           914.7153          787.8629                                                                  
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+   331    20.8671    1082(37)          1061.0793          788.3049                                                                  
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+   333    20.9670    1180(39)          1168.0916          788.5220                                                                  
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+   340    21.3167    1748(48)          1733.6144          789.2628                                                                  
+   341    21.3664    1804(49)          1841.5007          789.3658                                                                  
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+   343    21.4666    2071(52)          2086.0352          789.5712                                                                  
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+   400    24.3226    902(37)           814.7887          794.4632                                                                   
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+   421    25.3766    786(33)           806.2020          795.8263                                                                   
+   422    25.4267    793(33)           806.0093          795.8856                                                                   
+   423    25.4768    819(35)           805.8299          795.9443                                                                   
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+   443    26.4764    794(33)           804.1617          797.0157                                                                   
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+   445    26.5887    804(29)           804.1318          797.1243                                                                   
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+   449    26.7889    823(30)           804.1350          797.3121                                                                   
+   450    26.8389    827(30)           804.1465          797.3578                                                                   
+   451    26.8890    815(29)           804.1621          797.4032                                                                   
+   452    26.9390    810(29)           804.1818          797.4481                                                                   
+   453    26.9890    764(28)           804.2054          797.4926                                                                   
+   454    27.0389    820(30)           804.2330          797.5364                                                                   
+   455    27.0889    885(31)           804.2646          797.5800                                                                   
+   456    27.1390    831(30)           804.3002          797.6231                                                                   
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+   458    27.2389    794(29)           804.3829          797.7078                                                                   
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+   461    27.3887    814(29)           804.5363          797.8316                                                                   
+   462    27.4386    789(29)           804.5953          797.8719                                                                   
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+   482    28.4447    807(32)           806.8069          798.5935                                                                   
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+   500    29.3270    865(35)           811.6729          799.0882                                                                   
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+   503    29.4772    869(35)           813.0836          799.1600                                                                   
+   504    29.5270    860(35)           813.6132          799.1830                                                                   
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+   511    29.8768    804(34)           818.5351          799.3344                                                                   
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+   514    30.0268    854(35)           821.6154          799.3935                                                                   
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+   530    30.8098    1099(38)          1004.6921          799.6481                                                                  
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+   563    32.4625    3211(70)          3105.8616          799.9045                                                                  
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+  1013    54.9811    808(30)           795.6153          784.1379                                                                   
+  1014    55.0311    789(29)           795.8579          784.0953                                                                   
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+  1299    69.2753    690(28)           831.9644          777.0754                                                                   
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+  1301    69.3754    669(28)           836.6688          777.0741                                                                   
+  1302    69.4254    736(29)           839.2513          777.0738                                                                   
+  1303    69.4754    678(28)           842.0051          777.0738                                                                   
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+  1325    70.5591    1002(33)          1015.4698          777.1214                                                                  
+  1326    70.6092    1084(34)          1036.0085          777.1259                                                                  
+  1327    70.6592    1126(34)          1059.6464          777.1306                                                                  
+  1328    70.7093    1205(36)          1087.4730          777.1355                                                                  
+  1329    70.7591    1324(37)          1121.2683          777.1407                                                                  
+  1330    70.8091    1360(38)          1164.7562          777.1461                                                                  
+  1331    70.8592    1384(38)          1224.3855          777.1516                                                                  
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+  1536    81.0814    989(30)          1052.5181          782.8755                                                                   
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+  1583    83.4307    1019(29)           800.6695          785.5233                                                                  
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+  1593    83.9304    883(27)           814.6753          786.1508                                                                   
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+  1596    84.0916    831(27)           823.4363          786.3581                                                                   
+  1597    84.1417    893(28)           826.9938          786.4230                                                                   
+  1598    84.1918    853(27)           831.1259          786.4880                                                                   
+  1599    84.2418    829(27)           836.0188          786.5531                                                                   
+  1600    84.2917    828(27)           842.0609          786.6185                                                                   
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+  1634    85.9836    788(28)           848.5668          788.9631                                                                   
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+  1872    97.8763    810(27)           815.9353          812.0547                                                                   
+  1873    97.9264    755(26)           816.1160          812.1735                                                                   
+  1874    97.9764    793(26)           816.2988          812.2920                                                                   
+  1875    98.0264    771(26)           816.4846          812.4107                                                                   
+  1876    98.0764    793(26)           816.6736          812.5298                                                                   
+  1877    98.1265    701(25)           816.8658          812.6490                                                                   
+  1878    98.1765    745(26)           817.0610          812.7684                                                                   
+  1879    98.2264    830(27)           817.2589          812.8875                                                                   
+  1880    98.2764    760(26)           817.4606          813.0070                                                                   
+  1881    98.3265    805(27)           817.6661          813.1269                                                                   
+  1882    98.3763    775(26)           817.8743          813.2464                                                                   
+  1883    98.4263    797(26)           818.0870          813.3665                                                                   
+  1884    98.4763    805(27)           818.3033          813.4866                                                                   
+  1885    98.5262    798(27)           818.5235          813.6067                                                                   
+  1886    98.5762    784(26)           818.7478          813.7269                                                                   
+  1887    98.6261    876(28)           818.9766          813.8473                                                                   
+  1888    98.6761    783(26)           819.2106          813.9682                                                                   
+  1889    98.7261    783(26)           819.4489          814.0889                                                                   
+  1890    98.7761    797(27)           819.6921          814.2098                                                                   
+  1891    98.8258    823(27)           819.9396          814.3304                                                                   
+  1892    98.8759    824(27)           820.1942          814.4518                                                                   
+  1893    98.9260    785(26)           820.4544          814.5734                                                                   
+  1894    98.9759    798(27)           820.7199          814.6948                                                                   
+  1895    99.0451    794(28)           821.0984          814.8632                                                                   
+  1896    99.0952    744(27)           821.3806          814.9854                                                                   
+  1897    99.1452    806(28)           821.6699          815.1077                                                                   
+  1898    99.1953    834(29)           821.9667          815.2301                                                                   
+  1899    99.2453    859(29)           822.2706          815.3522                                                                   
+  1900    99.2953    861(29)           822.5831          815.4747                                                                   
+  1901    99.3453    822(29)           822.9048          815.5974                                                                   
+  1902    99.3954    780(28)           823.2360          815.7203                                                                   
+  1903    99.4454    790(28)           823.5770          815.8433                                                                   
+  1904    99.4952    773(28)           823.7158          815.9659                                                                   
+  1905    99.5453    833(29)           824.0820          816.0891                                                                   
+  1906    99.5953    792(28)           824.4604          816.2126                                                                   
+  1907    99.6452    800(28)           824.8497          816.3358                                                                   
+  1908    99.6953    837(29)           825.2534          816.4594                                                                   
+  1909    99.7452    803(28)           825.6705          816.5829                                                                   
+  1910    99.7951    848(29)           826.1027          816.7065                                                                   
+  1911    99.8451    782(28)           826.5508          816.8304                                                                   
+  1912    99.8950    764(28)           827.0164          816.9543                                                                   
+  1913    99.9450    810(28)           827.5013          817.0787                                                                   
+  1914    99.9950    829(29)           828.0052          817.2029                                                                   
+  1915   100.0449    834(29)           828.5302          817.3273                                                                   
+  1916   100.0947    777(28)           829.0761          817.4514                                                                   
+  1917   100.1448    808(28)           829.6498          817.5763                                                                   
+  1918   100.1949    770(28)           830.2499          817.7014                                                                   
+  1919   100.2448    860(29)           830.8766          817.8262                                                                   
+  1920   100.2917    798(31)           831.4940          817.9435                                                                   
+  1921   100.3418    771(31)           832.1857          818.0692                                                                   
+  1922   100.3919    802(32)           832.9131          818.1947                                                                   
+  1923   100.4420    812(32)           833.6803          818.3204                                                                   
+  1924   100.4919    835(32)           834.4880          818.4460                                                                   
+  1925   100.5419    755(30)           835.3423          818.5717                                                                   
+  1926   100.5920    810(31)           836.2491          818.6978                                                                   
+  1927   100.6420    808(31)           837.2113          818.8239                                                                   
+  1928   100.6920    808(31)           838.2346          818.9501                                                                   
+  1929   100.7419    767(30)           839.3210          819.0761                                                                   
+  1930   100.7919    829(32)           840.4844          819.2025                                                                   
+  1931   100.8420    788(31)           841.7313          819.3292                                                                   
+  1932   100.8919    802(31)           843.0630          819.4556                                                                   
+  1933   100.9419    765(30)           844.4985          819.5824                                                                   
+  1934   100.9918    814(31)           846.0435          819.7091                                                                   
+  1935   101.0418    799(31)           847.7119          819.8359                                                                   
+  1936   101.0917    823(32)           849.5187          819.9630                                                                   
+  1937   101.1416    812(31)           851.4822          820.0900                                                                   
+  1938   101.1917    811(31)           853.6257          820.2176                                                                   
+  1939   101.2416    814(31)           855.9644          820.3450                                                                   
+  1940   101.2916    835(32)           858.5281          820.4724                                                                   
+  1941   101.3414    859(32)           861.3384          820.5995                                                                   
+  1942   101.3914    802(31)           864.4607          820.7277                                                                   
+  1943   101.4415    801(31)           867.9210          820.8558                                                                   
+  1944   101.4914    811(31)           871.7610          820.9836                                                                   
+  1945   101.5364    865(31)           875.6129          821.0991                                                                   
+  1946   101.5865    849(30)           880.3985          821.2277                                                                   
+  1947   101.6366    927(31)           885.7963          821.3563                                                                   
+  1948   101.6867    863(31)           891.9260          821.4851                                                                   
+  1949   101.7367    889(31)           898.8990          821.6136                                                                   
+  1950   101.7866    903(31)           906.9094          821.7423                                                                   
+  1951   101.8367    878(31)           916.2068          821.8714                                                                   
+  1952   101.8867    887(31)           927.0943          822.0005                                                                   
+  1953   101.9368    956(32)           940.0959          822.1297                                                                   
+  1954   101.9866    915(31)           956.0822          822.2585                                                                   
+  1955   102.0367    1007(33)           977.0123          822.3879                                                                  
+  1956   102.0867    946(32)          1006.7172          822.5176                                                                   
+  1957   102.1366    949(32)          1052.6832          822.6469                                                                   
+  1958   102.1866    984(33)          1129.7377          822.7766                                                                   
+  1959   102.2366    1016(33)          1262.8049          822.9062                                                                  
+  1960   102.2865    1107(35)          1490.9983          823.0359                                                                  
+  1961   102.3364    1481(40)          1871.2351          823.1657                                                                  
+  1962   102.3864    2040(49)          2458.1743          823.2957                                                                  
+  1963   102.4364    3116(60)          3310.2290          823.4260                                                                  
+  1964   102.4864    4820(78)          4446.1304          823.5562                                                                  
+  1965   102.5363    6815(95)          5827.0391          823.6865                                                                  
+  1966   102.5861    8309(108)          7329.8604          823.8163                                                                 
+  1967   102.6362    9565(118)          8768.1240          823.9473                                                                 
+  1968   102.6862    9825(120)          9868.8916          824.0781                                                                 
+  1969   102.7361    9957(121)         10377.0801          824.2087                                                                 
+  1970   102.7816    9453(112)         10212.7402          824.3278                                                                 
+  1971   102.8317    8475(104)          9389.8770          824.4592                                                                 
+  1972   102.8818    7204(94)          8099.6670          824.5905                                                                  
+  1973   102.9319    6120(85)          6605.4888          824.7220                                                                  
+  1974   102.9819    4776(74)          5147.2891          824.8531                                                                  
+  1975   103.0318    3862(66)          3880.9998          824.9846                                                                  
+  1976   103.0819    3108(58)          2883.5830          825.1163                                                                  
+  1977   103.1319    2539(52)          2164.4373          825.2480                                                                  
+  1978   103.1820    2119(47)          1683.8555          825.3798                                                                  
+  1979   103.2318    1656(42)          1383.8445          825.5114                                                                  
+  1980   103.2818    1467(39)          1204.2682          825.6433                                                                  
+  1981   103.3319    1223(35)          1099.9004          825.7756                                                                  
+  1982   103.3818    1081(33)          1039.0502          825.9073                                                                  
+  1983   103.4318    1063(33)          1001.5532          826.0396                                                                  
+  1984   103.4818    915(30)           976.6392          826.1719                                                                   
+  1985   103.5317    985(31)           958.5447          826.3041                                                                   
+  1986   103.5816    962(31)           944.4344          826.4365                                                                   
+  1987   103.6316    954(31)           932.9095          826.5689                                                                   
+  1988   103.6816    892(30)           923.2331          826.7017                                                                   
+  1989   103.7316    907(30)           915.0151          826.8345                                                                   
+  1990   103.7815    854(29)           907.9644          826.9671                                                                   
+  1991   103.8313    891(30)           901.8908          827.0995                                                                   
+  1992   103.8814    903(30)           896.5867          827.2328                                                                   
+  1993   103.9314    872(30)           891.9671          827.3661                                                                   
+  1994   103.9813    852(29)           887.9415          827.4991                                                                   
+  1995   104.0282    866(33)           884.6155          827.6240                                                                   
+  1996   104.0783    883(33)           881.4762          827.7577                                                                   
+  1997   104.1284    904(33)           878.7169          827.8914                                                                   
+  1998   104.1785    871(33)           876.2863          828.0253                                                                   
+  1999   104.2284    928(34)           874.1516          828.1589                                                                   
+  2000   104.2784    884(33)           872.2722          828.2925                                                                   
+  2001   104.3284    919(34)           870.6174          828.4265                                                                   
+  2002   104.3785    890(33)           869.1675          828.5607                                                                   
+  2003   104.4285    875(33)           867.9016          828.6948                                                                   
+  2004   104.4784    868(33)           866.8063          828.8285                                                                   
+  2005   104.5284    925(34)           865.8596          828.9627                                                                   
+  2006   104.5785    822(32)           865.0518          829.0972                                                                   
+  2007   104.6283    882(33)           864.3765          829.2313                                                                   
+  2008   104.6784    877(33)           863.8198          829.3657                                                                   
+  2009   104.7283    866(33)           863.3774          829.5002                                                                   
+  2010   104.7783    895(33)           863.0424          829.6346                                                                   
+  2011   104.8282    915(34)           862.8099          829.7690                                                                   
+  2012   104.8781    896(33)           862.6763          829.9037                                                                   
+  2013   104.9282    856(32)           862.6389          830.0386                                                                   
+  2014   104.9781    873(33)           862.6962          830.1735                                                                   
+  2015   105.0281    890(33)           862.8472          830.3083                                                                   
+  2016   105.0779    914(34)           863.0910          830.4429                                                                   
+  2017   105.1279    920(34)           863.4310          830.5782                                                                   
+  2018   105.1780    917(34)           863.8680          830.7136                                                                   
+  2019   105.2279    913(34)           864.4028          830.8486                                                                   
+  2020   105.2669    882(33)           864.8922          830.9542                                                                   
+  2021   105.3170    898(33)           865.6170          831.0899                                                                   
+  2022   105.3671    885(33)           866.4546          831.2256                                                                   
+  2023   105.4172    899(33)           867.4134          831.3614                                                                   
+  2024   105.4671    908(34)           868.4979          831.4971                                                                   
+  2025   105.5171    948(34)           869.7209          831.6326                                                                   
+  2026   105.5671    866(33)           871.0978          831.7686                                                                   
+  2027   105.6172    890(33)           872.6389          831.9045                                                                   
+  2028   105.6672    905(33)           874.3626          832.0406                                                                   
+  2029   105.7171    884(33)           876.2806          832.1762                                                                   
+  2030   105.7671    939(34)           878.4298          832.3124                                                                   
+  2031   105.8172    930(34)           880.8341          832.4487                                                                   
+  2032   105.8671    950(34)           883.5126          832.5846                                                                   
+  2033   105.9171    903(33)           886.5216          832.7209                                                                   
+  2034   105.9670    973(35)           889.8951          832.8572                                                                   
+  2035   106.0169    979(35)           893.6901          832.9933                                                                   
+  2036   106.0669    963(35)           897.9737          833.1297                                                                   
+  2037   106.1168    999(35)           902.8310          833.2661                                                                   
+  2038   106.1669    994(35)           908.3640          833.4028                                                                   
+  2039   106.2168    1026(36)           914.6805          833.5394                                                                  
+  2040   106.2668    1007(35)           921.9313          833.6760                                                                  
+  2041   106.3165    1024(36)           930.2766          833.8121                                                                  
+  2042   106.3666    1115(37)           940.0468          833.9491                                                                  
+  2043   106.4167    1039(36)           951.5251          834.0862                                                                  
+  2044   106.4666    1134(38)           965.1582          834.2230                                                                  
+  2045   106.5258    1173(36)           985.4048          834.3853                                                                  
+  2046   106.5759    1239(36)          1008.0389          834.5228                                                                  
+  2047   106.6260    1144(35)          1039.7600          834.6602                                                                  
+  2048   106.6761    1042(33)          1088.6942          834.7975                                                                  
+  2049   106.7261    1102(34)          1170.2261          834.9348                                                                  
+  2050   106.7760    1181(35)          1312.0199          835.0720                                                                  
+  2051   106.8261    1274(37)          1558.1722          835.2095                                                                  
+  2052   106.8761    1691(43)          1968.2175          835.3471                                                                  
+  2053   106.9262    2369(51)          2610.1621          835.4847                                                                  
+  2054   106.9760    3600(65)          3536.5906          835.6218                                                                  
+  2055   107.0260    5355(82)          4769.4512          835.7595                                                                  
+  2056   107.0761    7645(101)          6250.4219          835.8974                                                                 
+  2057   107.1260    9275(115)          7819.7080          836.0347                                                                 
+  2058   107.1760    10623(126)          9252.5508          836.1725                                                                
+  2059   107.2260    10744(127)         10222.8643          836.3102                                                                
+  2060   107.2759    10356(124)         10495.5098          836.4479                                                                
+  2061   107.3258    9398(117)         10006.4307          836.5856                                                                 
+  2062   107.3758    7961(105)          8900.2383          836.7234                                                                 
+  2063   107.4258    6724(95)          7438.0005          836.8615                                                                  
+  2064   107.4758    5445(84)          5898.3989          836.9995                                                                  
+  2065   107.5257    4350(74)          4493.8657          837.1374                                                                  
+  2066   107.5755    3521(66)          3350.2222          837.2749                                                                  
+  2067   107.6256    2980(59)          2494.2837          837.4133                                                                  
+  2068   107.6756    2425(53)          1908.1605          837.5516                                                                  
+  2069   107.7255    2042(48)          1534.7291          837.6897                                                                  
+  2070   107.7826    1599(40)          1284.8905          837.8474                                                                  
+  2071   107.8327    1417(38)          1161.7766          837.9861                                                                  
+  2072   107.8827    1235(35)          1086.6337          838.1248                                                                  
+  2073   107.9328    1150(34)          1042.6426          838.2634                                                                  
+  2074   107.9828    1091(33)          1013.7311          838.4018                                                                  
+  2075   108.0328    1045(32)           992.9673          838.5403                                                                  
+  2076   108.0828    1000(31)           976.9411          838.6790                                                                  
+  2077   108.1329    1025(32)           964.0071          838.8176                                                                  
+  2078   108.1829    947(30)           953.2766          838.9565                                                                   
+  2079   108.2328    908(30)           944.2684          839.0947                                                                   
+  2080   108.2828    929(30)           936.5867          839.2334                                                                   
+  2081   108.3329    902(30)           930.0112          839.3724                                                                   
+  2082   108.3827    919(30)           924.3914          839.5109                                                                   
+  2083   108.4327    899(29)           919.5394          839.6497                                                                   
+  2084   108.4827    901(30)           915.3605          839.7885                                                                   
+  2085   108.5326    940(30)           911.7549          839.9271                                                                   
+  2086   108.5826    950(30)           908.6443          840.0659                                                                   
+  2087   108.6325    874(29)           905.9623          840.2047                                                                   
+  2088   108.6825    901(30)           903.6541          840.3437                                                                   
+  2089   108.7325    910(30)           901.6844          840.4827                                                                   
+  2090   108.7825    856(29)           900.0126          840.6215                                                                   
+  2091   108.8322    961(31)           898.6124          840.7599                                                                   
+  2092   108.8823    886(29)           897.4461          840.8993                                                                   
+  2093   108.9324    899(29)           896.5017          841.0386                                                                   
+  2094   108.9823    889(29)           895.7628          841.1774                                                                   
+  2095   109.0196    882(30)           895.3339          841.2811                                                                   
+  2096   109.0697    855(29)           894.9136          841.4207                                                                   
+  2097   109.1197    848(29)           894.6627          841.5601                                                                   
+  2098   109.1698    871(29)           894.5726          841.6996                                                                   
+  2099   109.2198    891(30)           894.6364          841.8387                                                                   
+  2100   109.2697    872(29)           894.8489          841.9778                                                                   
+  2101   109.3198    857(29)           895.2079          842.1174                                                                   
+  2102   109.3699    875(29)           895.7104          842.2568                                                                   
+  2103   109.4199    861(29)           896.3566          842.3962                                                                   
+  2104   109.4697    868(29)           897.1437          842.5352                                                                   
+  2105   109.5198    933(30)           898.0793          842.6746                                                                   
+  2106   109.5698    913(30)           899.1660          842.8143                                                                   
+  2107   109.6197    884(30)           900.4021          842.9534                                                                   
+  2108   109.6697    872(29)           901.8017          843.0928                                                                   
+  2109   109.7197    879(30)           903.3670          843.2321                                                                   
+  2110   109.7696    865(29)           905.1085          843.3715                                                                   
+  2111   109.8195    900(30)           907.0368          843.5107                                                                   
+  2112   109.8695    949(31)           909.1669          843.6500                                                                   
+  2113   109.9195    927(30)           911.5164          843.7897                                                                   
+  2114   109.9695    923(30)           914.0953          843.9290                                                                   
+  2115   110.0194    920(30)           916.9260          844.0684                                                                   
+  2116   110.0692    924(30)           920.0217          844.2074                                                                   
+  2117   110.1193    938(31)           923.4397          844.3472                                                                   
+  2118   110.1694    890(30)           927.1918          844.4869                                                                   
+  2119   110.2193    959(31)           931.3009          844.6262                                                                   
+  2120   110.2658    894(31)           935.5066          844.7562                                                                   
+  2121   110.3160    904(31)           940.4746          844.8961                                                                   
+  2122   110.3660    935(32)           945.9533          845.0359                                                                   
+  2123   110.4161    953(32)           952.0161          845.1757                                                                   
+  2124   110.4661    965(32)           958.7158          845.3152                                                                   
+  2125   110.5160    1039(33)           966.1627          845.4547                                                                  
+  2126   110.5661    1010(33)           974.4799          845.5945                                                                  
+  2127   110.6161    1013(33)           983.7775          845.7343                                                                  
+  2128   110.6662    1030(33)           994.2136          845.8740                                                                  
+  2129   110.7160    1039(33)          1005.9247          846.0132                                                                  
+  2130   110.7661    1076(34)          1019.2250          846.1528                                                                  
+  2131   110.8161    1031(33)          1034.3674          846.2927                                                                  
+  2132   110.8660    1156(35)          1051.6068          846.4319                                                                  
+  2133   110.9160    1138(35)          1071.4780          846.5716                                                                  
+  2134   110.9660    1172(35)          1094.4363          846.7111                                                                  
+  2135   111.0159    1239(37)          1121.1768          846.8505                                                                  
+  2136   111.0658    1277(37)          1152.6267          846.9899                                                                  
+  2137   111.1158    1278(37)          1190.1129          847.1294                                                                  
+  2138   111.1658    1310(38)          1235.8778          847.2691                                                                  
+  2139   111.2158    1271(37)          1293.8317          847.4086                                                                  
+  2140   111.2657    1268(37)          1372.4141          847.5480                                                                  
+  2141   111.3155    1264(37)          1488.8344          847.6869                                                                  
+  2142   111.3656    1344(38)          1679.9502          847.8268                                                                  
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+  2150   111.7815    23544(229)         19672.0332          848.9872                                                                
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+  2156   112.0816    13884(156)         15455.9453          849.8239                                                                
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+  2164   112.4812    2158(51)          1591.1981          850.9371                                                                  
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+  2177   113.1542    981(33)           994.7382          852.8074                                                                   
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+  2197   114.1373    1004(34)           903.3627          855.5274                                                                  
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+  2336   121.0577    981(34)          1010.0857          873.7223                                                                   
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+  2384   123.4651    878(30)           915.1185          879.3782                                                                   
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+  2398   124.1611    871(30)           917.1469          880.9205                                                                   
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+  2401   124.3111    880(30)           919.4772          881.2468                                                                   
+  2402   124.3611    874(30)           920.4120          881.3552                                                                   
+  2403   124.4112    883(30)           921.4306          881.4633                                                                   
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+  2501   129.3345    897(30)           940.9890          890.7155                                                                   
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+  2670   137.7519    903(31)           901.4157          897.8118                                                                   
+  2671   137.8020    924(32)           901.4268          897.8115                                                                   
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+  2947   151.5961    883(29)           922.4139          870.5250                                                                   
+  2948   151.6462    846(28)           923.3773          870.3070                                                                   
+  2949   151.6961    874(29)           924.3907          870.0887                                                                   
+  2950   151.7461    876(29)           925.4596          869.8693                                                                   
+  2951   151.7961    907(29)           926.5901          869.6485                                                                   
+  2952   151.8462    843(28)           927.7832          869.4267                                                                   
+  2953   151.8962    844(28)           929.0428          869.2039                                                                   
+  2954   151.9461    874(29)           930.3689          868.9808                                                                   
+  2955   151.9961    884(29)           931.7743          868.7561                                                                   
+  2956   152.0462    899(29)           933.2630          868.5302                                                                   
+  2957   152.0961    859(29)           934.8319          868.3041                                                                   
+  2958   152.1461    884(29)           936.4972          868.0763                                                                   
+  2959   152.1960    879(29)           938.2589          867.8477                                                                   
+  2960   152.2460    849(28)           940.1259          867.6182                                                                   
+  2961   152.2959    883(29)           942.1049          867.3879                                                                   
+  2962   152.3458    877(29)           944.2072          867.1562                                                                   
+  2963   152.3959    910(29)           946.4440          866.9232                                                                   
+  2964   152.4458    868(29)           948.8186          866.6895                                                                   
+  2965   152.4958    896(29)           951.3452          866.4546                                                                   
+  2966   152.5456    874(29)           954.0261          866.2198                                                                   
+  2967   152.5956    891(29)           955.5291          865.9823                                                                   
+  2968   152.6457    859(29)           958.6174          865.7442                                                                   
+  2969   152.6956    883(29)           961.9058          865.5054                                                                   
+  2970   152.7533    930(31)           965.9941          865.2280                                                                   
+  2971   152.8034    867(30)           969.8118          864.9862                                                                   
+  2972   152.8535    927(31)           973.9034          864.7435                                                                   
+  2973   152.9036    930(31)           978.3026          864.4995                                                                   
+  2974   152.9536    941(31)           983.0224          864.2552                                                                   
+  2975   153.0035    969(32)           988.1128          864.0098                                                                   
+  2976   153.0536    906(31)           993.6306          863.7629                                                                   
+  2977   153.1036    897(31)           999.6167          863.5151                                                                   
+  2978   153.1537    921(31)          1006.1469          863.2662                                                                   
+  2979   153.2035    919(31)          1013.2809          863.0172                                                                   
+  2980   153.2535    894(30)          1021.1920          862.7662                                                                   
+  2981   153.3036    878(30)          1030.0331          862.5138                                                                   
+  2982   153.3535    921(31)          1039.9790          862.2615                                                                   
+  2983   153.4035    904(31)          1051.4032          862.0072                                                                   
+  2984   153.4535    932(31)          1064.6865          861.7524                                                                   
+  2985   153.5034    909(31)          1080.4062          861.4965                                                                   
+  2986   153.5533    989(32)          1099.3425          861.2396                                                                   
+  2987   153.6033    929(31)          1122.5272          860.9816                                                                   
+  2988   153.6533    928(31)          1151.3602          860.7218                                                                   
+  2989   153.7033    1044(33)          1187.4541          860.4615                                                                  
+  2990   153.7532    1044(33)          1232.9391          860.2003                                                                  
+  2991   153.8030    1029(33)          1290.2463          859.9389                                                                  
+  2992   153.8531    1095(34)          1363.0499          859.6747                                                                  
+  2993   153.9031    1212(36)          1454.5874          859.4095                                                                  
+  2994   153.9530    1331(38)          1568.4338          859.1440                                                                  
+  2995   154.0009    1524(41)          1702.8765          858.8884                                                                  
+  2996   154.0510    1744(43)          1874.0437          858.6196                                                                  
+  2997   154.1011    1963(46)          2080.5190          858.3502                                                                  
+  2998   154.1512    2427(52)          2326.1479          858.0795                                                                  
+  2999   154.2012    2891(57)          2612.8999          857.8082                                                                  
+  3000   154.2511    3271(62)          2943.1226          857.5360                                                                  
+  3001   154.3012    3591(65)          3317.3320          857.2622                                                                  
+  3002   154.3512    4248(72)          3733.0356          856.9873                                                                  
+  3003   154.4013    4713(76)          4185.7119          856.7112                                                                  
+  3004   154.4511    5098(80)          4666.6650          856.4353                                                                  
+  3005   154.5011    5594(84)          5169.4722          856.1572                                                                  
+  3006   154.5512    5818(86)          5680.4668          855.8776                                                                  
+  3007   154.6011    6192(89)          6181.5781          855.5981                                                                  
+  3008   154.6511    6599(92)          6658.5625          855.3167                                                                  
+  3009   154.7011    6976(96)          7090.7856          855.0345                                                                  
+  3010   154.7510    7353(99)          7460.6079          854.7515                                                                  
+  3011   154.8009    7641(101)          7752.9849          854.4672                                                                 
+  3012   154.8509    7776(102)          7957.1211          854.1817                                                                 
+  3013   154.9009    7893(103)          8067.3564          853.8945                                                                 
+  3014   154.9509    7918(104)          8083.1343          853.6068                                                                 
+  3015   155.0008    7875(103)          8009.2993          853.3179                                                                 
+  3016   155.0506    7726(102)          7854.9531          853.0289                                                                 
+  3017   155.1007    7716(102)          7629.6333          852.7370                                                                 
+  3018   155.1507    7527(100)          7347.4111          852.4442                                                                 
+  3019   155.2006    7160(97)          7022.6758          852.1510                                                                  
+  3020   155.2532    6822(93)          6647.1426          851.8409                                                                  
+  3021   155.3033    6701(92)          6269.0078          851.5443                                                                  
+  3022   155.3534    6248(88)          5881.4141          851.2468                                                                  
+  3023   155.4035    5780(84)          5492.4883          850.9480                                                                  
+  3024   155.4535    5381(81)          5111.1045          850.6487                                                                  
+  3025   155.5034    4889(77)          4742.8818          850.3485                                                                  
+  3026   155.5535    4403(72)          4391.8413          850.0463                                                                  
+  3027   155.6035    4144(70)          4062.0825          849.7433                                                                  
+  3028   155.6535    3565(64)          3754.8071          849.4391                                                                  
+  3029   155.7034    3304(62)          3471.0923          849.1346                                                                  
+  3030   155.7534    3130(60)          3208.6199          848.8284                                                                  
+  3031   155.8035    2900(58)          2966.9287          848.5204                                                                  
+  3032   155.8534    2707(55)          2746.5576          848.2125                                                                  
+  3033   155.9034    2511(53)          2544.7427          847.9025                                                                  
+  3034   155.9534    2333(51)          2361.5044          847.5919                                                                  
+  3035   156.0033    2234(50)          2195.2749          847.2802                                                                  
+  3036   156.0532    2066(47)          2044.8682          846.9673                                                                  
+  3037   156.1032    1885(45)          1909.0068          846.6533                                                                  
+  3038   156.1532    1831(44)          1786.4539          846.3374                                                                  
+  3039   156.2032    1703(43)          1676.6465          846.0209                                                                  
+  3040   156.2531    1537(40)          1578.6313          845.7032                                                                  
+  3041   156.3029    1392(38)          1491.8145          845.3856                                                                  
+  3042   156.3530    1404(38)          1414.6306          845.0648                                                                  
+  3043   156.4030    1340(38)          1346.8754          844.7430                                                                  
+  3044   156.4529    1261(36)          1287.9146          844.4210                                                                  
+  3045   156.5018    1178(35)          1237.6809          844.1044                                                                  
+  3046   156.5519    1197(36)          1193.1759          843.7788                                                                  
+  3047   156.6020    1101(34)          1154.9694          843.4521                                                                  
+  3048   156.6521    1090(34)          1122.2872          843.1240                                                                  
+  3049   156.7020    1044(33)          1094.5371          842.7958                                                                  
+  3050   156.7520    1071(34)          1070.9440          842.4664                                                                  
+  3051   156.8021    1022(33)          1050.8800          842.1351                                                                  
+  3052   156.8521    1028(33)          1033.8601          841.8025                                                                  
+  3053   156.9021    979(32)          1019.3982          841.4691                                                                   
+  3054   156.9520    975(32)          1007.1021          841.1354                                                                   
+  3055   157.0020    938(32)           996.5267          840.7996                                                                   
+  3056   157.0521    909(31)           987.3907          840.4622                                                                   
+  3057   157.1020    902(31)           979.4750          840.1249                                                                   
+  3058   157.1520    918(31)           972.5101          839.7855                                                                   
+  3059   157.2020    924(31)           966.3454          839.4453                                                                   
+  3060   157.2519    980(32)           960.8334          839.1039                                                                   
+  3061   157.3018    930(31)           955.8615          838.7617                                                                   
+  3062   157.3518    909(31)           951.3318          838.4177                                                                   
+  3063   157.4018    897(31)           947.1721          838.0722                                                                   
+  3064   157.4518    914(31)           943.3372          837.7258                                                                   
+  3065   157.5017    927(31)           939.7798          837.3784                                                                   
+  3066   157.5515    915(31)           936.4742          837.0310                                                                   
+  3067   157.6016    876(30)           933.3590          836.6802                                                                   
+  3068   157.6516    872(30)           930.4366          836.3283                                                                   
+  3069   157.7015    869(30)           927.6930          835.9763                                                                   
+  3070   157.7401    881(33)           925.6785          835.7032                                                                   
+  3071   157.7902    871(33)           923.1912          835.3475                                                                   
+  3072   157.8403    843(32)           920.8385          834.9911                                                                   
+  3073   157.8904    894(33)           918.6082          834.6331                                                                   
+  3074   157.9403    906(33)           916.4976          834.2747                                                                   
+  3075   157.9903    892(33)           914.4921          833.9152                                                                   
+  3076   158.0404    919(33)           912.5818          833.5537                                                                   
+  3077   158.0904    867(33)           910.7637          833.1910                                                                   
+  3078   158.1404    910(33)           909.0322          832.8274                                                                   
+  3079   158.1903    833(32)           907.3868          832.4636                                                                   
+  3080   158.2403    873(33)           905.8114          832.0975                                                                   
+  3081   158.2904    881(33)           904.3049          831.7296                                                                   
+  3082   158.3403    910(34)           902.8710          831.3621                                                                   
+  3083   158.3903    835(32)           901.4957          830.9922                                                                   
+  3084   158.4402    888(33)           900.1813          830.6216                                                                   
+  3085   158.4902    869(33)           898.9233          830.2498                                                                   
+  3086   158.5401    852(32)           897.7178          829.8767                                                                   
+  3087   158.5901    897(33)           896.5616          829.5023                                                                   
+  3088   158.6401    904(33)           895.4512          829.1262                                                                   
+  3089   158.6900    899(33)           894.3871          828.7491                                                                   
+  3090   158.7400    975(35)           893.3658          828.3708                                                                   
+  3091   158.7898    887(33)           892.3885          827.9928                                                                   
+  3092   158.8399    888(33)           891.4435          827.6110                                                                   
+  3093   158.8899    895(33)           890.5364          827.2282                                                                   
+  3094   158.9398    888(33)           889.6669          826.8453                                                                   
+  3095   158.9939    933(35)           888.7623          826.4290                                                                   
+  3096   159.0440    921(35)           887.9578          826.0419                                                                   
+  3097   159.0941    859(33)           887.1846          825.6538                                                                   
+  3098   159.1442    874(34)           886.4403          825.2642                                                                   
+  3099   159.1941    898(34)           885.7264          824.8744                                                                   
+  3100   159.2441    865(34)           885.0396          824.4833                                                                   
+  3101   159.2942    905(34)           884.3774          824.0900                                                                   
+  3102   159.3442    924(35)           883.7408          823.6957                                                                   
+  3103   159.3942    881(34)           883.1284          823.3002                                                                   
+  3104   159.4441    859(33)           882.5415          822.9047                                                                   
+  3105   159.4941    933(35)           881.9754          822.5067                                                                   
+  3106   159.5442    979(36)           881.4305          822.1069                                                                   
+  3107   159.5941    937(35)           880.9091          821.7075                                                                   
+  3108   159.6441    882(34)           880.4066          821.3055                                                                   
+  3109   159.6940    924(35)           879.9248          820.9028                                                                   
+  3110   159.7440    936(35)           879.4626          820.4990                                                                   
+  3111   159.7939    930(35)           879.0193          820.0939                                                                   
+  3112   159.8438    902(34)           878.5944          819.6874                                                                   
+  3113   159.8939    942(35)           878.1867          819.2788                                                                   
+  3114   159.9438    963(35)           877.7974          818.8696                                                                   
+  3115   159.9938    865(33)           877.4252          818.4592                                                                   
+  3116   160.0436    941(35)           877.0711          818.0488                                                                   
+  3117   160.0936    913(34)           876.7315          817.6346                                                                   
+  3118   160.1437    964(35)           876.4083          817.2192                                                                   
+  3119   160.1936    945(35)           876.1022          816.8039                                                                   
+  3120   160.2523    963(39)           875.7618          816.3131                                                                   
+  3121   160.3024    914(39)           875.4888          815.8934                                                                   
+  3122   160.3525    961(40)           875.2310          815.4724                                                                   
+  3123   160.4026    973(39)           874.9885          815.0499                                                                   
+  3124   160.4526    943(39)           874.7616          814.6273                                                                   
+  3125   160.5025    881(38)           874.5496          814.2032                                                                   
+  3126   160.5526    928(38)           874.3520          813.7772                                                                   
+  3127   160.6026    908(38)           874.1690          813.3497                                                                   
+  3128   160.6527    901(38)           874.0008          812.9210                                                                   
+  3129   160.7025    919(39)           873.8474          812.4924                                                                   
+  3130   160.7525    937(39)           873.7084          812.0614                                                                   
+  3131   160.8026    947(39)           873.5834          811.6281                                                                   
+  3132   160.8525    960(39)           873.4735          811.1956                                                                   
+  3133   160.9025    903(38)           873.3777          810.7603                                                                   
+  3134   160.9525    896(38)           873.2964          810.3242                                                                   
+  3135   161.0024    999(40)           873.2298          809.8871                                                                   
+  3136   161.0523    911(38)           873.1776          809.4485                                                                   
+  3137   161.1023    962(39)           873.1401          809.0087                                                                   
+  3138   161.1523    936(39)           873.1172          808.5665                                                                   
+  3139   161.2023    945(39)           873.1090          808.1234                                                                   
+  3140   161.2522    934(39)           873.1157          807.6794                                                                   
+  3141   161.3020    939(40)           873.1374          807.2355                                                                   
+  3142   161.3521    983(40)           873.1744          806.7876                                                                   
+  3143   161.4021    903(39)           873.2268          806.3383                                                                   
+  3144   161.4520    946(39)           873.2943          805.8892                                                                   
+  3145   161.5081    924(43)           873.3890          805.3832                                                                   
+  3146   161.5582    961(44)           873.4905          804.9293                                                                   
+  3147   161.6083    909(42)           873.6082          804.4744                                                                   
+  3148   161.6584    938(43)           873.7422          804.0176                                                                   
+  3149   161.7083    886(42)           873.8925          803.5611                                                                   
+  3150   161.7583    934(43)           874.0597          803.1029                                                                   
+  3151   161.8083    923(43)           874.2441          802.6423                                                                   
+  3152   161.8584    948(43)           874.4462          802.1809                                                                   
+  3153   161.9084    1005(45)           874.6661          801.7179                                                                  
+  3154   161.9583    921(43)           874.9029          801.2552                                                                   
+  3155   162.0083    957(43)           875.1589          800.7896                                                                   
+  3156   162.0584    1002(45)           875.4342          800.3221                                                                  
+  3157   162.1083    937(43)           875.7273          799.8550                                                                   
+  3158   162.1583    924(43)           876.0411          799.3855                                                                   
+  3159   162.2082    926(43)           876.3738          798.9149                                                                   
+  3160   162.2581    954(43)           876.7271          798.4432                                                                   
+  3161   162.3081    878(42)           877.1010          797.9700                                                                   
+  3162   162.3580    905(42)           877.4966          797.4954                                                                   
+  3163   162.4081    926(43)           877.9146          797.0183                                                                   
+  3164   162.4580    878(42)           878.3543          796.5408                                                                   
+  3165   162.5080    858(41)           878.8165          796.0618                                                                   
+  3166   162.5577    913(43)           879.3007          795.5835                                                                   
+  3167   162.6078    890(42)           879.8118          795.1002                                                                   
+  3168   162.6579    927(43)           880.3474          794.6158                                                                   
+  3169   162.7078    902(42)           880.9067          794.1318                                                                   
+  3170   162.7678    966(62)           881.6136          793.5482                                                                   
+  3171   162.8179    905(60)           882.2336          793.0588                                                                   
+  3172   162.8680    945(61)           882.8812          792.5688                                                                   
+  3173   162.9181    936(61)           883.5574          792.0764                                                                   
+  3174   162.9680    957(62)           884.2614          791.5845                                                                   
+  3175   163.0180    909(60)           884.9957          791.0911                                                                   
+  3176   163.0680    989(63)           885.7626          790.5950                                                                   
+  3177   163.1181    923(60)           886.5615          790.0979                                                                   
+  3178   163.1681    907(60)           887.3941          789.5992                                                                   
+  3179   163.2180    893(59)           888.2578          789.1010                                                                   
+  3180   163.2680    912(60)           889.1603          788.5999                                                                   
+  3181   163.3181    984(63)           890.1008          788.0964                                                                   
+  3182   163.3680    1061(65)           891.0761          787.5936                                                                  
+  3183   163.4180    929(61)           892.0942          787.0881                                                                   
+  3184   163.4679    960(62)           893.1527          786.5817                                                                   
+  3185   163.5179    968(61)           894.2538          786.0740                                                                   
+  3186   163.5678    962(62)           895.4003          785.5650                                                                   
+  3187   163.6177    955(61)           896.5948          785.0544                                                                   
+  3188   163.6678    916(60)           897.8417          784.5413                                                                   
+  3189   163.7177    982(63)           899.1387          784.0275                                                                   
+  3190   163.7677    917(60)           900.4906          783.5125                                                                   
+  3191   163.8174    920(61)           901.8961          782.9978                                                                   
+  3192   163.8675    973(62)           903.3720          782.4784                                                                   
+  3193   163.9176    1058(65)           904.9135          781.9576                                                                  
+  3194   163.9675    1061(65)           781.4373          781.4373                                                                  
 _pd_proc_number_of_points   3077
  
 loop_                          
@@ -3244,32 +3244,32 @@ loop_
       _refln_F_squared_calc    
       _refln_phase_calc        
       _refln_d_spacing         
-   1   0   0  6  1  o          2.0233        2.0064  180.00   4.15689
-   1   1   0 12  1  o          1.7809        1.7137    0.00   2.93936
-   1   1   1  8  1  o          4.1556        4.0950    0.00   2.39998
-   2   0   0  6  1  o          5.3285        5.5215    0.00   2.07844
-   2   1   0 24  1  o          0.8833        0.8925    0.00   1.85902
-   2   1   1 24  1  o          1.1419        1.1009  180.00   1.69704
-   2   2   0 12  1  o          0.0000        0.0000  180.00   1.46968
-   2   2   1 24  1  o         10.5214       10.2412    0.00   1.38563
-   3   0   0  6  1  o          7.9656        7.7535  180.00   1.38563
-   3   1   0 24  1  o          7.1858        7.0163    0.00   1.31452
-   3   1   1 24  1  o          0.2708        0.2688    0.00   1.25335
-   2   2   2  8  1  o          5.0173        5.0890  180.00   1.19999
-   3   2   0 24  1  o          0.2254        0.2462  180.00   1.15291
-   3   2   1 48  1  o          0.1408        0.1327    0.00   1.11097
-   4   0   0  6  1  o         12.3533       12.4129    0.00   1.03922
-   3   2   2 24  1  o          2.9689        2.8572    0.00   1.00819
-   4   1   0 24  1  o          0.2340        0.2252  180.00   1.00819
-   4   1   1 24  1  o          0.1148        0.1115    0.00   0.97979
-   3   3   0 12  1  o         15.3946       14.9514    0.00   0.97979
-   3   3   1 24  1  o          0.7809        0.7332  180.00   0.95365
-   4   2   0 24  1  o          1.6421        1.6738    0.00   0.92951
-   4   2   1 48  1  o          2.7485        2.7639    0.00   0.90711
-   3   3   2 24  1  o          2.7703        2.7355    0.00   0.88625
-   4   2   2 24  1  o          0.7210        0.7004  180.00   0.84852
-   4   3   0 24  1  o          3.0832        3.0957  180.00   0.83138
-   5   0   0  6  1  o          0.2240        0.2249  180.00   0.83138
+   1   0   0  6  1  o          2.0221        2.0053  180.00   4.15689
+   1   1   0 12  1  o          1.7684        1.7102    0.00   2.93936
+   1   1   1  8  1  o          4.1038        4.0693    0.00   2.39998
+   2   0   0  6  1  o          5.2589        5.4832    0.00   2.07844
+   2   1   0 24  1  o          0.8715        0.8846    0.00   1.85902
+   2   1   1 24  1  o          1.1259        1.0926  180.00   1.69704
+   2   2   0 12  1  o          0.0001        0.0001  180.00   1.46968
+   2   2   1 24  1  o         10.2484       10.1013    0.00   1.38563
+   3   0   0  6  1  o          7.7662        7.6547  180.00   1.38563
+   3   1   0 24  1  o          6.9950        6.9033    0.00   1.31452
+   3   1   1 24  1  o          0.2604        0.2627    0.00   1.25335
+   2   2   2  8  1  o          4.8650        5.0156  180.00   1.19999
+   3   2   0 24  1  o          0.2114        0.2422  180.00   1.15291
+   3   2   1 48  1  o          0.1288        0.1278    0.00   1.11097
+   4   0   0  6  1  o         11.9425       12.1187    0.00   1.03922
+   3   2   2 24  1  o          2.8713        2.7842    0.00   1.00819
+   4   1   0 24  1  o          0.2311        0.2241  180.00   1.00819
+   4   1   1 24  1  o          0.1112        0.1085    0.00   0.97979
+   3   3   0 12  1  o         14.8896       14.5276    0.00   0.97979
+   3   3   1 24  1  o          0.7582        0.7158  180.00   0.95365
+   4   2   0 24  1  o          1.5886        1.6207    0.00   0.92951
+   4   2   1 48  1  o          2.6554        2.6646    0.00   0.90711
+   3   3   2 24  1  o          2.6789        2.6313    0.00   0.88625
+   4   2   2 24  1  o          0.7043        0.6806  180.00   0.84852
+   4   3   0 24  1  o          2.9894        2.9989  180.00   0.83138
+   5   0   0  6  1  o          0.2193        0.2200  180.00   0.83138
  
 # The following lines are used to test the character set of files sent by     
 # network email or other means. They are not part of the CIF data set.        
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_j_si/TOF_irf_LookUpTable.irf b/docs/docs/verification/fullprof/pd-neut-tof_j_si/TOF_irf_LookUpTable.irf
new file mode 100644
index 000000000..7ca244e38
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-tof_j_si/TOF_irf_LookUpTable.irf
@@ -0,0 +1,128 @@
+  Instrumental Resolution Parameters for TOF (numerical look-up table) from:   Backscattering Bank (2theta= 144.845)  Si- Argonne
+! To be used with functions NPROF=9 in FullProf (Res=5)
+! This file can be used only for the effective range of d-spacings given in the list
+! ----------------------------------------------------  Bank 1
+!  Type of profile function: back-to-back expon * pseudo-Voigt
+NPROF   9
+!       Tof-min(us)       step      Tof-max(us)
+TOFRG    2000.00000       5.00000   29995.00000
+!             Dtt1              Dtt2       Dtt_1overD         Zero
+D2TOF      7476.91016        -1.54000         0.00000        -8.56733
+!     TOF-TWOTH of the bank
+TWOTH     144.845
+!       d-spacing       Sigma^2         Gamma            Alpha           Beta            Shift    for pattern # 1
+LIST_SIG_GAM_ALF_BET_SHIFT    NPOINTS <- Put here the number of points by editing NPOINTS below
+         0.26894         7.22354         0.00000         0.87536         2.12186         0.00000
+         0.27027         7.24477         0.00000         0.87106         2.08120         0.00000
+         0.27162         7.26643         0.00000         0.86674         2.04095         0.00000
+         0.27299         7.28852         0.00000         0.86239         2.00109         0.00000
+         0.27438         7.31107         0.00000         0.85802         1.96163         0.00000
+         0.27579         7.33408         0.00000         0.85364         1.92257         0.00000
+         0.27722         7.35757         0.00000         0.84922         1.88392         0.00000
+         0.27904         7.38763         0.00000         0.84368         1.83616         0.00000
+         0.28015         7.40605         0.00000         0.84033         1.80781         0.00000
+         0.28166         7.43107         0.00000         0.83585         1.77035         0.00000
+         0.28473         7.48277         0.00000         0.82681         1.69664         0.00000
+         0.28631         7.50947         0.00000         0.82226         1.66039         0.00000
+         0.28792         7.53678         0.00000         0.81768         1.62454         0.00000
+         0.28955         7.56471         0.00000         0.81307         1.58909         0.00000
+         0.29163         7.60053         0.00000         0.80727         1.54534         0.00000
+         0.29289         7.62252         0.00000         0.80378         1.51938         0.00000
+         0.29505         7.66004         0.00000         0.79791         1.47663         0.00000
+         0.29636         7.68308         0.00000         0.79438         1.45128         0.00000
+         0.29814         7.71445         0.00000         0.78963         1.41784         0.00000
+         0.29995         7.74659         0.00000         0.78486         1.38479         0.00000
+         0.30180         7.77953         0.00000         0.78006         1.35214         0.00000
+         0.30368         7.81328         0.00000         0.77523         1.31989         0.00000
+         0.30608         7.85669         0.00000         0.76915         1.28015         0.00000
+         0.30755         7.88339         0.00000         0.76548         1.25660         0.00000
+         0.30954         7.91981         0.00000         0.76056         1.22555         0.00000
+         0.31157         7.95719         0.00000         0.75560         1.19491         0.00000
+         0.31364         7.99557         0.00000         0.75062         1.16467         0.00000
+         0.31575         8.03498         0.00000         0.74559         1.13482         0.00000
+         0.31791         8.07547         0.00000         0.74054         1.10538         0.00000
+         0.32011         8.11709         0.00000         0.73545         1.07634         0.00000
+         0.32292         8.17077         0.00000         0.72904         1.04060         0.00000
+         0.32465         8.20390         0.00000         0.72516         1.01945         0.00000
+         0.32699         8.24918         0.00000         0.71996         0.99161         0.00000
+         0.32939         8.29580         0.00000         0.71473         0.96417         0.00000
+         0.33184         8.34382         0.00000         0.70945         0.93713         0.00000
+         0.33434         8.39328         0.00000         0.70414         0.91049         0.00000
+         0.33690         8.44427         0.00000         0.69878         0.88426         0.00000
+         0.33952         8.49685         0.00000         0.69339         0.85842         0.00000
+         0.34289         8.56494         0.00000         0.68658         0.82668         0.00000
+         0.34496         8.60711         0.00000         0.68247         0.80794         0.00000
+         0.34777         8.66495         0.00000         0.67694         0.78331         0.00000
+         0.35362         8.78650         0.00000         0.66575         0.73524         0.00000
+         0.35665         8.85043         0.00000         0.66009         0.71180         0.00000
+         0.35977         8.91659         0.00000         0.65437         0.68877         0.00000
+         0.36297         8.98512         0.00000         0.64861         0.66614         0.00000
+         0.36709         9.07430         0.00000         0.64133         0.63841         0.00000
+         0.36963         9.12979         0.00000         0.63692         0.62207         0.00000
+         0.37310         9.20622         0.00000         0.63099         0.60064         0.00000
+         0.37667         9.28559         0.00000         0.62501         0.57961         0.00000
+         0.38034         9.36807         0.00000         0.61897         0.55898         0.00000
+         0.38413         9.45385         0.00000         0.61287         0.53875         0.00000
+         0.38803         9.54314         0.00000         0.60672         0.51892         0.00000
+         0.39205         9.63614         0.00000         0.60049         0.49949         0.00000
+         0.39726         9.75799         0.00000         0.59262         0.47577         0.00000
+         0.40048         9.83428         0.00000         0.58785         0.46184         0.00000
+         0.40491         9.93995         0.00000         0.58142         0.44361         0.00000
+         0.40604         9.96710         0.00000         0.57981         0.43912         0.00000
+         0.40948        10.05043         0.00000         0.57493         0.42579         0.00000
+         0.41422        10.16604         0.00000         0.56836         0.40836         0.00000
+         0.41542        10.19579         0.00000         0.56670         0.40407         0.00000
+         0.41912        10.28716         0.00000         0.56171         0.39134         0.00000
+         0.42420        10.41419         0.00000         0.55498         0.37471         0.00000
+         0.42550        10.44692         0.00000         0.55329         0.37062         0.00000
+         0.42947        10.54757         0.00000         0.54817         0.35849         0.00000
+         0.43634        10.72397         0.00000         0.53954         0.33877         0.00000
+         0.44062        10.83539         0.00000         0.53429         0.32724         0.00000
+         0.44806        11.03118         0.00000         0.52543         0.30853         0.00000
+         0.45270        11.15519         0.00000         0.52004         0.29760         0.00000
+         0.45912        11.32879         0.00000         0.51277         0.28338         0.00000
+         0.46077        11.37375         0.00000         0.51093         0.27989         0.00000
+         0.46582        11.51261         0.00000         0.50539         0.26956         0.00000
+         0.47283        11.70757         0.00000         0.49790         0.25614         0.00000
+         0.47463        11.75817         0.00000         0.49601         0.25285         0.00000
+         0.48016        11.91471         0.00000         0.49030         0.24312         0.00000
+         0.48982        12.19258         0.00000         0.48063         0.22741         0.00000
+         0.49591        12.37042         0.00000         0.47473         0.21828         0.00000
+         0.50438        12.62185         0.00000         0.46675         0.20647         0.00000
+         0.50657        12.68744         0.00000         0.46474         0.20357         0.00000
+         0.52273        13.18058         0.00000         0.45037         0.18403         0.00000
+         0.52517        13.25630         0.00000         0.44828         0.18134         0.00000
+         0.53269        13.49218         0.00000         0.44195         0.17342         0.00000
+         0.54597        13.91709         0.00000         0.43120         0.16071         0.00000
+         0.55444        14.19328         0.00000         0.42461         0.15339         0.00000
+         0.56947        14.69406         0.00000         0.41341         0.14168         0.00000
+         0.57909        15.02185         0.00000         0.40654         0.13496         0.00000
+         0.59272        15.49532         0.00000         0.39719         0.12635         0.00000
+         0.59628        15.62082         0.00000         0.39482         0.12426         0.00000
+         0.60736        16.01613         0.00000         0.38762         0.11814         0.00000
+         0.62314        16.59177         0.00000         0.37780         0.11033         0.00000
+         0.62728        16.74528         0.00000         0.37531         0.10844         0.00000
+         0.64021        17.23137         0.00000         0.36772         0.10291         0.00000
+         0.65877        17.94622         0.00000         0.35736         0.09590         0.00000
+         0.66367        18.13827         0.00000         0.35473         0.09421         0.00000
+         0.67905        18.75042         0.00000         0.34669         0.08929         0.00000
+         0.70724        19.90901         0.00000         0.33288         0.08160         0.00000
+         0.72593        20.70348         0.00000         0.32430         0.07728         0.00000
+         0.76069        22.23529         0.00000         0.30949         0.07058         0.00000
+         0.78410        23.30756         0.00000         0.30025         0.06686         0.00000
+         0.81896        24.96470         0.00000         0.28746         0.06226         0.00000
+         0.82843        25.42716         0.00000         0.28418         0.06117         0.00000
+         0.85893        26.95327         0.00000         0.27409         0.05805         0.00000
+         0.90540        29.38375         0.00000         0.26002         0.05424         0.00000
+         0.91824        30.07817         0.00000         0.25638         0.05335         0.00000
+         0.96032        32.42184         0.00000         0.24515         0.05084         0.00000
+         1.04546        37.48532         0.00000         0.22518         0.04715         0.00000
+         1.10888        41.53611         0.00000         0.21231         0.04523         0.00000
+         1.24627        51.13009         0.00000         0.18890         0.04254         0.00000
+         1.35810        59.76468         0.00000         0.17335         0.04122         0.00000
+         1.56819        77.99324         0.00000         0.15012         0.03982         0.00000
+         1.63792        84.62181         0.00000         0.14373         0.03953         0.00000
+         1.92064       114.45036         0.00000         0.12257         0.03882         0.00000
+         3.13639       296.73596         0.00000         0.07506         0.03813         0.00000
+NPOINTS   112   <- Remove this line and put NPOINTS in the item LIST_SIG_GAM_ALF_BET
+END
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_j_si/TOF_irf_ShapePar.irf b/docs/docs/verification/fullprof/pd-neut-tof_j_si/TOF_irf_ShapePar.irf
new file mode 100644
index 000000000..c26dd5c87
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-tof_j_si/TOF_irf_ShapePar.irf
@@ -0,0 +1,19 @@
+  Instrumental Resolution Parameters for TOF (Peak-Shape parameters) from:   Backscattering Bank (2theta= 144.845)  Si- Argonne
+! To be used with functions NPROF=9 in FullProf (Res=5)
+! If shape parameters are null they have to be given manually
+! It is supposed that the instrumental profile parameters are those of Phase # 1
+! ----------------------------------------------------  Bank 1
+!  Type of profile function: back-to-back expon * pseudo-Voigt
+NPROF   9
+!       Tof-min(us)       step      Tof-max(us)
+TOFRG    2000.00000       5.00000   29995.00000
+!             Dtt1              Dtt2       Dtt_1overD         Zero
+D2TOF      7476.91016        -1.54000         0.00000        -8.56733
+!      TOF-2Theta of the bank
+TWOTH     144.845
+!         Sigma-2_i     Sigma-1_i     Sigma-0_i     Sigma-Q_i
+SIGMA        0.0000       29.6492        5.0790        0.0000
+!         Gamma-2_i     Gamma-1_i     Gamma-0_i
+GAMMA        0.0000        0.0000        0.0000
+!           alph0_i       beta0_i       alph1_i       beta1_i       alphQ_i       betaQ_i
+ALFBE      0.000000      0.038020      0.235422      0.010902      0.000000      0.000000
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.fou b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.fou
index ecb7a2f70..43226828e 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.fou
+++ b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.fou
@@ -1,15 +1,15 @@
  Phase No.:   1 Standard-Si                   
   14  14   4    0.00    0.11
   20   2   2    0.00    0.11
-  14  12   8    0.00    0.28
   16  12   2    0.00    0.28
   18   8   4    0.00    0.28
+  14  12   8    0.00    0.28
   15  13   3    0.00    0.16
   16  12   0    0.00    0.17
   20   0   0    0.00    0.35
-  18   6   6    0.00    0.11
-  14  10  10    0.00    0.11
   14  14   2    0.00    0.11
+  14  10  10    0.00    0.11
+  18   6   6    0.00    0.11
   15  11   7    0.00    0.03
   15  13   1    0.00    0.03
   17   9   5    0.00    0.03
@@ -25,8 +25,8 @@
   16   8   8    0.67    0.14
   17   9   3    0.17    0.06
   19   3   3    0.17    0.09
-  14  12   6    0.56    0.02
   18   6   4    0.56    0.02
+  14  12   6    0.56    0.02
   16  10   4    0.00    0.05
   13  11   9    0.61    0.02
   15  11   5    0.61    0.02
@@ -37,9 +37,9 @@
   13  13   5    0.47    0.06
   17   7   5    0.47    0.04
   19   1   1    0.47    0.06
-  18   6   0    0.82    0.01
   14  10   8    0.82    0.01
   16  10   2    0.82    0.01
+  18   6   0    0.82    0.01
   18   4   4    0.00    0.15
   14  12   4    0.00    0.11
   16   8   6    0.00    0.11
@@ -47,32 +47,32 @@
   15  11   3    0.68    0.03
   12  12   8    1.02    0.09
   13  13   3    0.51    0.03
-  15  11   1    0.51    0.02
   17   7   3    0.51    0.02
+  15  11   1    0.51    0.02
   18   4   2    0.76    0.00
   12  10  10    0.76    0.01
   14  12   2    0.76    0.00
+  13  11   7    0.57    0.01
   13  13   1    0.57    0.02
   17   5   5    0.57    0.02
   17   7   1    0.57    0.01
-  13  11   7    0.57    0.01
   16   8   4    0.76    0.01
-  18   2   2    0.00    0.17
   14  10   6    0.00    0.12
+  18   2   2    0.00    0.17
   13   9   9    0.43    0.04
   15   9   5    0.43    0.02
-  18   2   0    0.40    0.02
   16   6   6    0.40    0.02
+  18   2   0    0.40    0.02
   12  12   6    0.00    0.10
   14   8   8    0.00    0.10
   16   8   2    0.00    0.07
-  11  11   9    0.00    0.02
   15   7   7    0.00    0.02
+  11  11   9    0.00    0.02
   17   5   3    0.00    0.01
   16   8   0    0.32    0.04
-  17   5   1    0.42    0.01
-  13  11   5    0.42    0.01
   15   9   3    0.42    0.01
+  13  11   5    0.42    0.01
+  17   5   1    0.42    0.01
   14  10   4    0.84    0.01
   12  10   8    0.00    0.13
   16   6   4    0.00    0.13
@@ -89,24 +89,24 @@
   14  10   0    1.16    0.00
   16   6   2    1.16    0.00
   12  12   2    0.00    0.09
-  11  11   7    0.91    0.01
-  13  11   1    0.91    0.00
-  17   1   1    0.91    0.01
-  12  12   0    1.26    0.02
+  11  11   7    0.92    0.01
+  13  11   1    0.92    0.00
+  17   1   1    0.92    0.01
   16   4   4    1.26    0.01
-  11   9   9    0.83    0.01
+  12  12   0    1.26    0.02
   15   7   3    0.83    0.01
+  11   9   9    0.83    0.01
   12  10   6    1.26    0.00
   14   8   4    0.00    0.08
   16   4   2    0.00    0.08
+  15   7   1    0.77    0.00
   13   9   5    0.77    0.00
   15   5   5    0.77    0.00
-  15   7   1    0.77    0.00
-  12   8   8    1.29    0.00
   16   4   0    1.29    0.00
+  12   8   8    1.29    0.00
   14   6   6    0.00    0.19
-  11  11   5    0.92    0.01
   13   7   7    0.92    0.01
+  11  11   5    0.92    0.01
   10  10   8    1.14    0.00
   14   8   2    1.14    0.00
   16   2   2    1.14    0.00
@@ -147,8 +147,8 @@
   12   8   0    1.67    0.00
   10  10   2    0.00    0.13
   14   2   2    0.00    0.13
-  11   9   1    1.01    0.00
   13   5   3    1.01    0.00
+  11   9   1    1.01    0.00
   10   8   6    1.53    0.00
   10  10   0    1.53    0.00
   14   2   0    1.53    0.00
@@ -166,9 +166,9 @@
   12   4   4    1.59    0.00
   10   6   6    0.00    0.12
    9   9   3    1.07    0.00
-  13   1   1    1.07    0.00
   11   5   5    1.07    0.00
   11   7   1    1.07    0.00
+  13   1   1    1.07    0.00
   10   8   2    1.65    0.00
    8   8   6    0.00    0.51
   12   4   2    0.00    0.36
@@ -176,8 +176,8 @@
   12   4   0    1.52    0.00
    9   7   5    1.20    0.00
   11   5   3    1.20    0.00
-  10   6   4    1.76    0.00
   12   2   2    1.76    0.00
+  10   6   4    1.76    0.00
    7   7   7    1.16    0.00
   11   5   1    1.16    0.00
    8   8   4    1.68    0.00
@@ -198,27 +198,27 @@
   10   4   2    1.86    0.00
    8   6   4    0.00    0.40
    9   5   3    1.16    0.00
-   6   6   6    0.00    0.63
   10   2   2    0.00    0.36
+   6   6   6    0.00    0.63
    7   7   3    1.44    0.00
    9   5   1    1.44    0.00
    8   6   2    2.13    0.00
   10   2   0    2.13    0.00
-   9   3   3    1.48    0.00
-   7   5   5    1.48    0.00
    7   7   1    1.48    0.00
+   7   5   5    1.48    0.00
+   9   3   3    1.48    0.00
    8   4   4    2.11    0.00
    9   3   1    1.47    0.00
    6   6   4    2.06    0.00
-   8   4   2    0.00    0.68
-   9   1   1    1.61    0.00
+   8   4   2    0.00    0.69
    7   5   3    1.61    0.00
+   9   1   1    1.61    0.00
    8   4   0    2.19    0.00
-   6   6   2    0.00    1.29
+   6   6   2    0.00    1.30
    5   5   5    1.62    0.00
    7   5   1    1.62    0.00
-   6   6   0    2.36    0.00
    8   2   2    2.36    0.00
+   6   6   0    2.36    0.00
    6   4   4    0.00    0.32
    7   3   3    1.59    0.00
    8   0   0    2.41    0.00
@@ -234,8 +234,8 @@
    4   4   2    0.00    0.02
    5   3   1    2.03    0.00
    4   4   0    2.97    0.00
-   3   3   3    2.11    0.00
    5   1   1    2.11    0.00
+   3   3   3    2.11    0.00
    4   2   2    3.01    0.00
    3   3   1    2.16    0.00
    4   0   0    3.08    0.00
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.hkl b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.hkl
index 00d89cd01..07476d84d 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.hkl
+++ b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.hkl
@@ -1,248 +1,248 @@
  Pattern#  1 Phase No.:  1 Standard-Si        430 reflections, N&T:        0    0.00    (The # of eff. reflections may be lower)
 !  SPGR: F d -3 m;  CELL:      5.43238     5.43238     5.43238    90.00000    90.00000    90.00000
  Code h   k   l  Mult     D(A)      2T         HW          Iobs       Icalc     io-ic
-  1  14  14   4    24  0.268943  2010.862     6.329      0.0     11.2    -11.2
-  1  20   2   2    24  0.268943  2010.862     6.329      0.0     11.2    -11.2
-  1  14  12   8    48  0.270271  2020.792     6.338      0.0      0.0      0.0
-  1  16  12   2    48  0.270271  2020.792     6.338      0.0      0.0      0.0
-  1  18   8   4    48  0.270271  2020.792     6.338      0.0      0.0      0.0
-  1  15  13   3    48  0.270606  2023.298     6.340      0.0     12.8    -12.8
+  1  14  14   4    24  0.268943  2010.863     6.329      0.0     11.2    -11.2
+  1  20   2   2    24  0.268943  2010.863     6.329      0.0     11.2    -11.2
+  1  16  12   2    48  0.270271  2020.793     6.338      0.0      0.0      0.0
+  1  18   8   4    48  0.270271  2020.793     6.338      0.0      0.0      0.0
+  1  14  12   8    48  0.270271  2020.793     6.338      0.0      0.0      0.0
+  1  15  13   3    48  0.270606  2023.298     6.341      0.0     12.8    -12.8
   1  16  12   0    24  0.271619  2030.871     6.348      0.0     13.4    -13.4
   1  20   0   0     6  0.271619  2030.871     6.348      0.0      3.3     -3.3
-  1  18   6   6    24  0.272987  2041.102     6.357      0.0      0.0      0.0
-  1  14  10  10    24  0.272987  2041.102     6.357      0.0      0.0      0.0
-  1  14  14   2    24  0.272987  2041.102     6.357      0.0      0.0      0.0
-  1  15  11   7    48  0.273333  2043.684     6.360      0.0     14.4    -14.4
-  1  15  13   1    48  0.273333  2043.684     6.360      0.0     14.4    -14.4
-  1  17   9   5    48  0.273333  2043.684     6.360      0.0     14.4    -14.4
-  1  19   5   3    48  0.273333  2043.684     6.360      0.0     14.4    -14.4
+  1  14  14   2    24  0.272987  2041.103     6.357      0.0      0.0      0.0
+  1  14  10  10    24  0.272987  2041.103     6.357      0.0      0.0      0.0
+  1  18   6   6    24  0.272987  2041.103     6.357      0.0      0.0      0.0
+  1  15  11   7    48  0.273333  2043.685     6.360      0.0     14.4    -14.4
+  1  15  13   1    48  0.273333  2043.685     6.360      0.0     14.4    -14.4
+  1  17   9   5    48  0.273333  2043.685     6.360      0.0     14.4    -14.4
+  1  19   5   3    48  0.273333  2043.685     6.360      0.0     14.4    -14.4
   1  14  14   0    12  0.274377  2051.490     6.367      4.1      7.5     -3.3
   1  16  10   6    48  0.274377  2051.490     6.367     16.5     29.9    -13.4
   1  18   8   2    48  0.274377  2051.490     6.367     16.5     29.9    -13.4
-  1  12  12  10    24  0.275787  2062.037     6.377      0.0      0.0      0.0
+  1  12  12  10    24  0.275787  2062.038     6.377      0.0      0.0      0.0
   1  13  13   7    24  0.276143  2064.700     6.380      2.9      8.1     -5.2
   1  15   9   9    24  0.276143  2064.700     6.380      2.9      8.1     -5.2
   1  17   7   7    24  0.276143  2064.700     6.380      2.9      8.1     -5.2
   1  19   5   1    48  0.276143  2064.700     6.380      5.8     16.1    -10.3
-  1  16   8   8    24  0.277220  2072.749     6.387     23.5     16.8      6.7
+  1  16   8   8    24  0.277220  2072.750     6.387     23.4     16.8      6.6
   1  17   9   3    48  0.279043  2086.377     6.400      3.0     18.0    -15.0
   1  19   3   3    24  0.279043  2086.377     6.400      1.5      9.0     -7.5
-  1  14  12   6    48  0.280154  2094.684     6.408     34.1     37.8     -3.7
   1  18   6   4    48  0.280154  2094.684     6.408     34.1     37.8     -3.7
-  1  16  10   4    48  0.281656  2105.915     6.419      0.0      0.0      0.0
+  1  14  12   6    48  0.280154  2094.684     6.408     34.1     37.8     -3.7
+  1  16  10   4    48  0.281656  2105.916     6.419      0.0      0.0      0.0
   1  13  11   9    48  0.282035  2108.752     6.422     41.5     20.3     21.1
   1  15  11   5    48  0.282035  2108.752     6.422     41.5     20.3     21.1
   1  17   9   1    48  0.282035  2108.752     6.422     41.5     20.3     21.1
   1  19   3   1    48  0.282035  2108.752     6.422     41.5     20.3     21.1
-  1  18   6   2    48  0.284734  2128.931     6.441      0.0      0.0      0.0
+  1  18   6   2    48  0.284734  2128.932     6.442      0.0      0.0      0.0
   1  11  11  11     8  0.285126  2131.862     6.444      4.2      3.8      0.4
   1  13  13   5    24  0.285126  2131.862     6.444     12.6     11.4      1.2
   1  17   7   5    48  0.285126  2131.862     6.444     25.2     22.8      2.4
   1  19   1   1    24  0.285126  2131.862     6.444     12.6     11.4      1.2
-  1  18   6   0    24  0.286312  2140.726     6.453     39.3     23.8     15.5
-  1  14  10   8    48  0.286312  2140.726     6.453     78.6     47.6     31.0
-  1  16  10   2    48  0.286312  2140.726     6.453     78.6     47.6     31.0
-  1  18   4   4    24  0.287916  2152.719     6.465      0.0      0.0      0.0
-  1  14  12   4    48  0.287916  2152.719     6.465      0.0      0.0      0.0
-  1  16   8   6    48  0.287916  2152.719     6.465      0.0      0.0      0.0
-  1  15   9   7    48  0.288321  2155.749     6.467     56.2     25.6     30.6
-  1  15  11   3    48  0.288321  2155.749     6.467     56.2     25.6     30.6
-  1  12  12   8    24  0.289547  2164.916     6.476     63.5     26.8     36.6
-  1  13  13   3    24  0.291625  2180.458     6.492     16.7     14.4      2.3
-  1  15  11   1    48  0.291625  2180.458     6.492     33.4     28.9      4.5
-  1  17   7   3    48  0.291625  2180.458     6.492     33.4     28.9      4.5
-  1  18   4   2    48  0.292894  2189.945     6.501     74.6     60.5     14.2
+  1  14  10   8    48  0.286312  2140.727     6.453     78.5     47.6     30.9
+  1  16  10   2    48  0.286312  2140.727     6.453     78.5     47.6     30.9
+  1  18   6   0    24  0.286312  2140.727     6.453     39.3     23.8     15.5
+  1  18   4   4    24  0.287916  2152.720     6.465      0.0      0.0      0.0
+  1  14  12   4    48  0.287916  2152.720     6.465      0.0      0.0      0.0
+  1  16   8   6    48  0.287916  2152.720     6.465      0.0      0.0      0.0
+  1  15   9   7    48  0.288321  2155.749     6.468     56.2     25.6     30.6
+  1  15  11   3    48  0.288321  2155.750     6.468     56.2     25.6     30.6
+  1  12  12   8    24  0.289547  2164.917     6.477     63.4     26.8     36.6
+  1  13  13   3    24  0.291626  2180.458     6.492     16.7     14.4      2.3
+  1  17   7   3    48  0.291626  2180.458     6.492     33.5     28.9      4.6
+  1  15  11   1    48  0.291626  2180.458     6.492     33.5     28.9      4.6
+  1  18   4   2    48  0.292894  2189.945     6.501     74.6     60.5     14.1
   1  12  10  10    24  0.292894  2189.945     6.501     37.3     30.2      7.1
-  1  14  12   2    48  0.292894  2189.945     6.501     74.6     60.5     14.2
+  1  14  12   2    48  0.292894  2189.945     6.501     74.6     60.5     14.1
+  1  13  11   7    48  0.295046  2206.036     6.517     42.8     32.5     10.3
   1  13  13   1    24  0.295046  2206.036     6.517     21.4     16.3      5.1
   1  17   5   5    24  0.295046  2206.036     6.517     21.4     16.3      5.1
   1  17   7   1    48  0.295046  2206.036     6.517     42.8     32.5     10.3
-  1  13  11   7    48  0.295046  2206.036     6.517     42.8     32.5     10.3
-  1  16   8   4    48  0.296361  2215.862     6.527     78.5     68.1     10.4
-  1  18   2   2    24  0.298141  2229.171     6.540      0.0      0.0      0.0
+  1  16   8   4    48  0.296361  2215.863     6.527     78.5     68.1     10.4
   1  14  10   6    48  0.298141  2229.171     6.540      0.0      0.0      0.0
+  1  18   2   2    24  0.298141  2229.171     6.540      0.0      0.0      0.0
   1  13   9   9    24  0.298591  2232.536     6.544     12.6     18.4     -5.8
   1  15   9   5    48  0.298591  2232.536     6.544     25.3     36.8    -11.5
-  1  18   2   0    24  0.299953  2242.722     6.554     11.1     38.5    -27.4
   1  16   6   6    24  0.299953  2242.722     6.554     11.1     38.5    -27.4
-  1  12  12   6    24  0.301799  2256.523     6.568      0.0      0.0      0.0
-  1  14   8   8    24  0.301799  2256.523     6.568      0.0      0.0      0.0
-  1  16   8   2    48  0.301799  2256.523     6.568      0.0      0.0      0.0
-  1  11  11   9    24  0.302266  2260.014     6.571      0.0     20.8    -20.8
-  1  15   7   7    24  0.302266  2260.014     6.571      0.0     20.8    -20.8
-  1  17   5   3    48  0.302266  2260.014     6.571      0.0     41.6    -41.6
-  1  16   8   0    24  0.303679  2270.583     6.582      7.6     43.5    -35.9
-  1  17   5   1    48  0.306080  2288.532     6.600     26.9     47.1    -20.2
-  1  13  11   5    48  0.306080  2288.532     6.600     26.9     47.1    -20.2
-  1  15   9   3    48  0.306080  2288.533     6.600     26.9     47.1    -20.2
-  1  14  10   4    48  0.307548  2299.509     6.611    110.9     98.6     12.3
+  1  18   2   0    24  0.299953  2242.722     6.554     11.1     38.5    -27.4
+  1  12  12   6    24  0.301799  2256.524     6.568      0.0      0.0      0.0
+  1  14   8   8    24  0.301799  2256.524     6.568      0.0      0.0      0.0
+  1  16   8   2    48  0.301799  2256.524     6.568      0.0      0.0      0.0
+  1  15   7   7    24  0.302266  2260.014     6.572      0.0     20.8    -20.8
+  1  11  11   9    24  0.302266  2260.014     6.572      0.0     20.8    -20.8
+  1  17   5   3    48  0.302266  2260.014     6.572      0.0     41.6    -41.6
+  1  16   8   0    24  0.303679  2270.583     6.582      7.7     43.5    -35.8
+  1  15   9   3    48  0.306080  2288.533     6.601     26.9     47.1    -20.2
+  1  13  11   5    48  0.306080  2288.533     6.601     26.9     47.1    -20.2
+  1  17   5   1    48  0.306080  2288.533     6.601     26.9     47.1    -20.2
+  1  14  10   4    48  0.307548  2299.509     6.612    110.9     98.6     12.3
   1  12  10   8    48  0.309539  2314.393     6.627      0.0      0.0      0.0
   1  16   6   4    48  0.309539  2314.393     6.627      0.0      0.0      0.0
   1  15   9   1    48  0.310042  2318.159     6.631     63.0     53.3      9.7
   1  17   3   3    24  0.310042  2318.159     6.631     31.5     26.7      4.8
-  1  12  12   4    24  0.311568  2329.569     6.642    104.4     55.9     48.5
-  1  10  10  10     8  0.313639  2345.048     6.658      0.0      0.0      0.0
-  1  14  10   2    48  0.313639  2345.048     6.658      0.0      0.0      0.0
-  1  13   9   7    48  0.314163  2348.966     6.662     82.5     60.5     22.0
-  1  13  11   3    48  0.314163  2348.966     6.662     82.5     60.5     22.0
-  1  15   7   5    48  0.314163  2348.966     6.662     82.5     60.5     22.0
-  1  17   3   1    48  0.314163  2348.966     6.662     82.5     60.5     22.0
-  1  14   8   6    48  0.315751  2360.840     6.675    235.2    126.6    108.6
+  1  12  12   4    24  0.311568  2329.569     6.643    104.3     55.9     48.4
+  1  10  10  10     8  0.313639  2345.049     6.659      0.0      0.0      0.0
+  1  14  10   2    48  0.313639  2345.049     6.659      0.0      0.0      0.0
+  1  13   9   7    48  0.314163  2348.967     6.663     82.6     60.5     22.1
+  1  13  11   3    48  0.314163  2348.967     6.663     82.6     60.5     22.1
+  1  15   7   5    48  0.314163  2348.967     6.663     82.6     60.5     22.1
+  1  17   3   1    48  0.314163  2348.967     6.663     82.6     60.5     22.1
+  1  14   8   6    48  0.315751  2360.840     6.675    235.2    126.6    108.5
   1  14  10   0    24  0.315751  2360.840     6.675    117.6     63.3     54.3
-  1  16   6   2    48  0.315751  2360.840     6.675    235.2    126.6    108.6
-  1  12  12   2    24  0.317906  2376.955     6.691      0.0      0.0      0.0
+  1  16   6   2    48  0.315751  2360.840     6.675    235.2    126.6    108.5
+  1  12  12   2    24  0.317906  2376.955     6.692      0.0      0.0      0.0
   1  11  11   7    24  0.318452  2381.036     6.696     75.1     34.3     40.8
   1  13  11   1    48  0.318452  2381.036     6.696    150.2     68.6     81.7
   1  17   1   1    24  0.318452  2381.036     6.696     75.1     34.3     40.8
-  1  12  12   0    12  0.320106  2393.405     6.709     72.5     36.1     36.4
   1  16   4   4    24  0.320106  2393.405     6.709    144.9     72.1     72.8
-  1  11   9   9    24  0.322922  2414.455     6.731     65.1     39.1     26.0
-  1  15   7   3    48  0.322922  2414.455     6.731    130.2     78.2     52.1
-  1  12  10   6    48  0.324647  2427.355     6.744    306.2    164.0    142.3
+  1  12  12   0    12  0.320106  2393.405     6.709     72.5     36.1     36.4
+  1  15   7   3    48  0.322922  2414.456     6.731    130.3     78.2     52.1
+  1  11   9   9    24  0.322922  2414.456     6.731     65.1     39.1     26.0
+  1  12  10   6    48  0.324647  2427.356     6.745    306.2    164.0    142.2
   1  14   8   4    48  0.326991  2444.882     6.763      0.0      0.0      0.0
   1  16   4   2    48  0.326991  2444.882     6.763      0.0      0.0      0.0
+  1  15   7   1    48  0.327585  2449.323     6.768    118.9     89.1     29.8
   1  13   9   5    48  0.327585  2449.323     6.768    118.9     89.1     29.8
   1  15   5   5    24  0.327585  2449.323     6.768     59.5     44.5     14.9
-  1  15   7   1    48  0.327585  2449.323     6.768    118.9     89.1     29.8
-  1  12   8   8    24  0.329386  2462.793     6.782    170.4     93.5     76.8
-  1  16   4   0    24  0.329386  2462.793     6.782    170.4     93.5     76.8
-  1  14   6   6    24  0.331835  2481.104     6.802      0.0      0.0      0.0
-  1  11  11   5    24  0.332456  2485.746     6.807     91.0     50.8     40.2
+  1  16   4   0    24  0.329387  2462.793     6.782    170.4     93.5     76.8
+  1  12   8   8    24  0.329387  2462.794     6.782    170.4     93.5     76.9
+  1  14   6   6    24  0.331836  2481.104     6.802      0.0      0.0      0.0
   1  13   7   7    24  0.332456  2485.746     6.807     91.0     50.8     40.2
+  1  11  11   5    24  0.332456  2485.747     6.807     91.0     50.8     40.2
   1  10  10   8    24  0.334340  2499.830     6.822    141.3    106.9     34.5
   1  14   8   2    48  0.334340  2499.830     6.822    282.7    213.7     69.0
   1  16   2   2    24  0.334340  2499.830     6.822    141.3    106.9     34.5
   1  12  10   4    48  0.336902  2518.986     6.843      0.0      0.0      0.0
   1  13   9   3    48  0.337552  2523.844     6.848    179.8    116.3     63.5
   1  15   5   3    48  0.337552  2523.844     6.848    179.8    116.3     63.5
-  1  16   0   0     6  0.339524  2538.589     6.864     77.4     30.6     46.8
-  1  11   9   7    48  0.342889  2563.749     6.891    150.4    133.2     17.2
-  1  11  11   3    24  0.342889  2563.749     6.891     75.2     66.6      8.6
-  1  13   9   1    48  0.342889  2563.749     6.891    150.4    133.2     17.2
-  1  15   5   1    48  0.342889  2563.749     6.891    150.4    133.2     17.2
-  1  12  10   2    48  0.344957  2579.209     6.908    400.5    280.5    120.0
-  1  14   6   4    48  0.344957  2579.209     6.908    400.5    280.5    120.0
-  1  12   8   6    48  0.347773  2600.264     6.931      0.0      0.0      0.0
-  1   9   9   9     8  0.348487  2605.609     6.937     32.6     25.5      7.1
-  1  11  11   1    24  0.348487  2605.609     6.937     97.7     76.4     21.3
-  1  13   7   5    48  0.348487  2605.609     6.937    195.4    152.8     42.6
-  1  15   3   3    24  0.348487  2605.609     6.937     97.7     76.4     21.3
+  1  16   0   0     6  0.339524  2538.590     6.864     77.4     30.6     46.8
+  1  11   9   7    48  0.342889  2563.750     6.892    150.4    133.2     17.2
+  1  11  11   3    24  0.342889  2563.750     6.892     75.2     66.6      8.6
+  1  13   9   1    48  0.342889  2563.750     6.892    150.4    133.2     17.2
+  1  15   5   1    48  0.342889  2563.750     6.892    150.4    133.2     17.2
+  1  12  10   2    48  0.344957  2579.209     6.909    400.5    280.5    120.0
+  1  14   6   4    48  0.344957  2579.209     6.909    400.5    280.5    120.0
+  1  12   8   6    48  0.347773  2600.264     6.932      0.0      0.0      0.0
+  1   9   9   9     8  0.348487  2605.609     6.938     32.6     25.5      7.1
+  1  11  11   1    24  0.348487  2605.609     6.938     97.7     76.4     21.3
+  1  13   7   5    48  0.348487  2605.609     6.938    195.4    152.8     42.6
+  1  15   3   3    24  0.348487  2605.609     6.938     97.7     76.4     21.3
   1  10  10   6    24  0.353618  2643.969     6.980      0.0      0.0      0.0
   1  14   6   2    48  0.353618  2643.969     6.980      0.0      0.0      0.0
   1  15   3   1    48  0.354369  2649.589     6.986     38.4    175.9   -137.5
-  1  14   6   0    24  0.356653  2666.665     7.005    172.1    185.4    -13.3
-  1  10   8   8    24  0.359768  2689.955     7.031      0.0      0.0      0.0
-  1  14   4   4    24  0.359768  2689.955     7.031      0.0      0.0      0.0
-  1  11   9   5    48  0.360560  2695.873     7.038    215.1    202.8     12.3
-  1  13   7   3    48  0.360560  2695.873     7.038    215.1    202.8     12.3
-  1  15   1   1    24  0.360560  2695.873     7.038    107.6    101.4      6.2
-  1  12   8   4    48  0.362966  2713.866     7.058    741.5    428.4    313.1
-  1  11   7   7    24  0.367086  2744.671     7.093    167.5    117.3     50.2
-  1  13   5   5    24  0.367086  2744.671     7.093    167.5    117.3     50.2
-  1  13   7   1    48  0.367086  2744.671     7.093    335.0    234.5    100.4
+  1  14   6   0    24  0.356653  2666.665     7.006    172.1    185.4    -13.3
+  1  10   8   8    24  0.359768  2689.955     7.032      0.0      0.0      0.0
+  1  14   4   4    24  0.359768  2689.955     7.032      0.0      0.0      0.0
+  1  11   9   5    48  0.360560  2695.874     7.038    215.2    202.8     12.4
+  1  13   7   3    48  0.360560  2695.874     7.038    215.2    202.8     12.4
+  1  15   1   1    24  0.360560  2695.874     7.038    107.6    101.4      6.2
+  1  12   8   4    48  0.362966  2713.866     7.059    741.5    428.4    313.1
+  1  11   7   7    24  0.367086  2744.672     7.094    167.5    117.3     50.2
+  1  13   5   5    24  0.367086  2744.671     7.094    167.5    117.3     50.2
+  1  13   7   1    48  0.367086  2744.672     7.094    335.0    234.5    100.5
   1  10  10   4    24  0.369627  2763.666     7.115    364.5    247.9    116.6
   1  12   6   6    24  0.369627  2763.666     7.115    364.5    247.9    116.6
-  1  14   4   2    48  0.369627  2763.666     7.115    729.0    495.7    233.3
-  1  12   8   2    48  0.373097  2789.616     7.145      0.0      0.0      0.0
-  1   9   9   7    24  0.373981  2796.219     7.152    235.7    135.9     99.9
-  1  11   9   3    48  0.373981  2796.219     7.152    471.5    271.8    199.7
-  1  12   8   0    24  0.376668  2816.312     7.175    489.5    287.5    202.0
-  1  10  10   2    24  0.380343  2843.788     7.207      0.0      0.0      0.0
-  1  14   2   2    24  0.380343  2843.788     7.207      0.0      0.0      0.0
-  1  11   9   1    48  0.381278  2850.784     7.215    374.9    316.0     58.9
-  1  13   5   3    48  0.381278  2850.784     7.215    374.9    316.0     58.9
-  1  10   8   6    48  0.384127  2872.085     7.240    887.4    669.3    218.1
-  1  10  10   0    12  0.384127  2872.085     7.240    221.9    167.3     54.5
-  1  14   2   0    24  0.384127  2872.085     7.240    443.7    334.6    109.1
-  1  12   6   4    48  0.388027  2901.244     7.274      0.0      0.0      0.0
+  1  14   4   2    48  0.369627  2763.666     7.115    728.9    495.7    233.2
+  1  12   8   2    48  0.373098  2789.617     7.145      0.0      0.0      0.0
+  1   9   9   7    24  0.373981  2796.219     7.153    235.7    135.9     99.8
+  1  11   9   3    48  0.373981  2796.219     7.153    471.5    271.8    199.7
+  1  12   8   0    24  0.376668  2816.312     7.176    489.5    287.5    202.0
+  1  10  10   2    24  0.380343  2843.789     7.207      0.0      0.0      0.0
+  1  14   2   2    24  0.380343  2843.789     7.207      0.0      0.0      0.0
+  1  13   5   3    48  0.381278  2850.784     7.216    374.9    316.0     58.9
+  1  11   9   1    48  0.381278  2850.785     7.216    374.9    316.0     58.9
+  1  10   8   6    48  0.384127  2872.086     7.240    887.4    669.3    218.1
+  1  10  10   0    12  0.384127  2872.086     7.240    221.8    167.3     54.5
+  1  14   2   0    24  0.384127  2872.086     7.240    443.7    334.6    109.1
+  1  12   6   4    48  0.388027  2901.245     7.275      0.0      0.0      0.0
   1  11   7   5    48  0.389021  2908.675     7.283    382.7    368.6     14.1
-  1  13   5   1    48  0.389021  2908.674     7.283    382.7    368.6     14.1
-  1   8   8   8     8  0.392048  2931.310     7.309    131.9    130.2      1.6
-  1   9   9   5    24  0.397255  2970.240     7.355     48.0    215.6   -167.7
-  1  13   3   3    24  0.397255  2970.240     7.355     48.0    215.6   -167.7
-  1  12   6   2    48  0.400480  2994.356     7.384    797.5    915.8   -118.3
-  1  10   8   4    48  0.404906  3027.444     7.424      0.0      0.0      0.0
+  1  13   5   1    48  0.389021  2908.675     7.283    382.7    368.6     14.1
+  1   8   8   8     8  0.392048  2931.311     7.310    131.8    130.2      1.6
+  1   9   9   5    24  0.397255  2970.241     7.356     48.0    215.6   -167.6
+  1  13   3   3    24  0.397255  2970.241     7.356     48.0    215.6   -167.6
+  1  12   6   2    48  0.400480  2994.356     7.385    797.5    915.8   -118.3
+  1  10   8   4    48  0.404906  3027.445     7.424      0.0      0.0      0.0
   1   9   7   7    24  0.406035  3035.889     7.434    223.7    253.2    -29.5
   1  11   7   3    48  0.406035  3035.889     7.434    447.4    506.4    -59.0
   1  13   3   1    48  0.406035  3035.889     7.434    447.4    506.4    -59.0
-  1  12   4   4    24  0.409481  3061.654     7.465    620.0    538.4     81.5
+  1  12   4   4    24  0.409481  3061.654     7.465    619.9    538.4     81.5
   1  10   6   6    24  0.414215  3097.050     7.508      0.0      0.0      0.0
-  1   9   9   3    24  0.415425  3106.092     7.519    298.7    298.6      0.1
-  1  13   1   1    24  0.415425  3106.092     7.519    298.7    298.6      0.1
-  1  11   5   5    24  0.415425  3106.092     7.519    298.7    298.6      0.1
-  1  11   7   1    48  0.415425  3106.092     7.519    597.3    597.1      0.2
-  1  10   8   2    48  0.419117  3133.702     7.552   1457.6   1272.0    185.6
+  1   9   9   3    24  0.415425  3106.093     7.519    298.7    298.6      0.1
+  1  11   5   5    24  0.415425  3106.093     7.519    298.7    298.6      0.1
+  1  11   7   1    48  0.415425  3106.093     7.519    597.4    597.1      0.2
+  1  13   1   1    24  0.415425  3106.093     7.519    298.7    298.6      0.1
+  1  10   8   2    48  0.419117  3133.703     7.553   1457.5   1272.0    185.5
   1   8   8   6    24  0.424198  3171.688     7.599      0.0      0.0      0.0
   1  12   4   2    48  0.424198  3171.688     7.599      0.0      0.0      0.0
-  1   9   9   1    24  0.425497  3181.402     7.611    130.0    353.6   -223.6
-  1  12   4   0    24  0.429467  3211.089     7.647    686.8    754.4    -67.6
-  1   9   7   5    48  0.436339  3262.470     7.711    915.4    841.6     73.7
-  1  11   5   3    48  0.436339  3262.470     7.711    915.4    841.6     73.7
-  1  10   6   4    48  0.440624  3294.508     7.751   2027.7   1799.2    228.5
-  1  12   2   2    24  0.440624  3294.508     7.751   1013.8    899.6    114.2
+  1   9   9   1    24  0.425497  3181.403     7.611    130.0    353.6   -223.6
+  1  12   4   0    24  0.429467  3211.090     7.648    686.8    754.4    -67.6
+  1   9   7   5    48  0.436339  3262.470     7.711    915.4    841.6     73.8
+  1  11   5   3    48  0.436339  3262.470     7.711    915.4    841.6     73.8
+  1  12   2   2    24  0.440624  3294.509     7.751   1013.8    899.6    114.2
+  1  10   6   4    48  0.440624  3294.509     7.751   2027.7   1799.2    228.4
   1   7   7   7     8  0.448055  3350.069     7.821    158.9    167.8     -8.9
-  1  11   5   1    48  0.448055  3350.069     7.821    953.5   1006.9    -53.5
-  1   8   8   4    24  0.452698  3384.785     7.864   1031.4   1078.6    -47.2
-  1  12   0   0     6  0.452698  3384.785     7.864    257.8    269.6    -11.8
-  1  10   6   2    48  0.459120  3432.799     7.925      0.0      0.0      0.0
-  1   9   7   3    48  0.460769  3445.125     7.941   1163.0   1211.9    -48.8
-  1  11   3   3    24  0.460769  3445.125     7.941    581.5    605.9    -24.4
-  1   8   6   6    24  0.465823  3482.915     7.989   1342.2   1301.2     41.0
-  1  10   6   0    24  0.465823  3482.915     7.989   1342.2   1301.2     41.0
+  1  11   5   1    48  0.448055  3350.069     7.821    953.5   1006.9    -53.4
+  1   8   8   4    24  0.452698  3384.786     7.865   1031.3   1078.6    -47.3
+  1  12   0   0     6  0.452698  3384.786     7.865    257.8    269.6    -11.8
+  1  10   6   2    48  0.459120  3432.800     7.926      0.0      0.0      0.0
+  1   9   7   3    48  0.460769  3445.126     7.942   1163.1   1211.8    -48.8
+  1  11   3   3    24  0.460769  3445.126     7.942    581.5    605.9    -24.4
+  1   8   6   6    24  0.465823  3482.916     7.990   1342.2   1301.2     41.0
+  1  10   6   0    24  0.465823  3482.916     7.990   1342.2   1301.2     41.0
   1   8   8   2    24  0.472828  3535.293     8.057      0.0      0.0      0.0
   1  10   4   4    24  0.472828  3535.293     8.057      0.0      0.0      0.0
-  1   9   5   5    24  0.474629  3548.761     8.074    680.9    734.1    -53.2
-  1   9   7   1    48  0.474629  3548.761     8.074   1361.9   1468.2   -106.3
-  1  11   3   1    48  0.474629  3548.761     8.074   1361.9   1468.2   -106.3
-  1   8   8   0    12  0.480159  3590.107     8.128    382.8    790.3   -407.6
-  1   7   7   5    24  0.489821  3662.350     8.222    640.8    896.0   -255.3
-  1  11   1   1    24  0.489821  3662.350     8.222    640.8    896.0   -255.3
+  1   9   5   5    24  0.474629  3548.761     8.075    680.9    734.1    -53.2
+  1   9   7   1    48  0.474629  3548.761     8.075   1361.8   1468.2   -106.3
+  1  11   3   1    48  0.474629  3548.762     8.075   1361.9   1468.2   -106.3
+  1   8   8   0    12  0.480159  3590.108     8.128    382.8    790.3   -407.6
+  1   7   7   5    24  0.489821  3662.350     8.223    640.8    896.0   -255.3
+  1  11   1   1    24  0.489821  3662.350     8.223    640.8    896.0   -255.3
   1  10   4   2    48  0.495906  3707.847     8.282   3648.1   3870.6   -222.5
-  1   8   6   4    48  0.504384  3771.233     8.365      0.0      0.0      0.0
-  1   9   5   3    48  0.506572  3787.594     8.387   1544.6   2206.0   -661.4
-  1   6   6   6     8  0.522731  3908.414     8.548      0.0      0.0      0.0
-  1  10   2   2    24  0.522731  3908.414     8.548      0.0      0.0      0.0
-  1   7   7   3    24  0.525168  3926.635     8.573   1370.6   1371.1     -0.5
-  1   9   5   1    48  0.525168  3926.635     8.573   2741.2   2742.1     -0.9
-  1   8   6   2    48  0.532689  3982.866     8.649   6359.8   5967.1    392.8
-  1  10   2   0    24  0.532689  3982.866     8.649   3179.9   2983.5    196.4
-  1   9   3   3    24  0.545975  4082.204     8.784   1693.6   1723.4    -29.9
-  1   7   5   5    24  0.545975  4082.205     8.784   1693.6   1723.4    -29.9
-  1   7   7   1    24  0.545975  4082.205     8.784   1693.6   1723.4    -29.9
-  1   8   4   4    24  0.554440  4145.499     8.871   3657.7   3767.9   -110.2
-  1   9   3   1    48  0.569468  4257.863     9.026   3961.4   4389.9   -428.5
-  1   6   6   4    24  0.579094  4329.832     9.126   4152.5   4825.2   -672.7
-  1   8   4   2    48  0.592721  4431.724     9.269      0.0      0.0      0.0
-  1   9   1   1    24  0.596281  4458.341     9.306   2871.8   2839.2     32.6
-  1   7   5   3    48  0.596281  4458.341     9.306   5743.6   5678.5     65.2
-  1   8   4   0    24  0.607359  4541.166     9.423   5711.8   6282.7   -570.9
-  1   6   6   2    24  0.623137  4659.138     9.591      0.0      0.0      0.0
-  1   5   5   5     8  0.627277  4690.096     9.635   1182.8   1247.3    -64.4
-  1   7   5   1    48  0.627277  4690.096     9.635   7096.9   7483.5   -386.6
-  1   6   6   0    12  0.640212  4786.810     9.774   4074.9   4173.3    -98.4
-  1   8   2   2    24  0.640212  4786.810     9.774   8149.8   8346.5   -196.8
-  1   6   4   4    24  0.658773  4925.586     9.975      0.0      0.0      0.0
-  1   7   3   3    24  0.663671  4962.208    10.028   4302.2   5045.4   -743.2
-  1   8   0   0     6  0.679048  5077.178    10.196   2694.3   2841.8   -147.5
-  1   5   5   3    24  0.707236  5287.938    10.506   7370.8   7001.4    369.4
-  1   7   3   1    48  0.707236  5287.938    10.506  14741.6  14002.8    738.8
-  1   6   4   2    48  0.725932  5427.731    10.713  33349.7  31953.1   1396.5
-  1   5   5   1    24  0.760685  5687.577    11.103  10524.6  10083.1    441.6
-  1   7   1   1    24  0.760685  5687.577    11.103  10524.6  10083.0    441.6
-  1   4   4   4     8  0.784097  5862.620    11.367   7252.4   7800.1   -547.7
-  1   6   2   2    24  0.818962  6123.307    11.764      0.0      0.0      0.0
-  1   5   3   3    24  0.828430  6194.099    11.873  15733.2  15263.0    470.2
-  1   6   2   0    24  0.858935  6422.179    12.224  38815.7  36259.9   2555.8
-  1   4   4   2    24  0.905397  6769.570    12.763      0.0      0.0      0.0
-  1   5   3   1    48  0.918240  6865.598    12.913  51350.2  49580.8   1769.5
-  1   4   4   0    12  0.960318  7180.214    13.407  32623.3  30483.2   2140.0
-  1   3   3   3     8  1.045462  7816.827    14.416  15436.0  14942.2    493.8
-  1   5   1   1    24  1.045462  7816.827    14.416  46308.0  44826.6   1481.4
-  1   4   2   2    24  1.108880  8290.997    15.174 119892.8 116630.6   3262.2
-  1   3   3   1    24  1.246274  9318.276    16.836  98408.7  97409.3    999.4
-  1   4   0   0     6  1.358095 10154.356    18.202  70164.5  70595.8   -431.3
-  1   2   2   2     8  1.568193 11725.240    20.793      0.0      0.0      0.0
-  1   3   1   1    24  1.637924 12246.614    21.659 312049.6 312727.3   -677.7
-  1   2   2   0    12  1.920637 14360.429    25.188 601663.2 607733.1  -6069.8
-  1   1   1   1     8  3.136387 23450.480    40.5581534576.21508103.4  26472.9
+  1   8   6   4    48  0.504384  3771.234     8.366      0.0      0.0      0.0
+  1   9   5   3    48  0.506572  3787.595     8.388   1544.7   2206.0   -661.4
+  1  10   2   2    24  0.522731  3908.414     8.549      0.0      0.0      0.0
+  1   6   6   6     8  0.522731  3908.414     8.549      0.0      0.0      0.0
+  1   7   7   3    24  0.525168  3926.635     8.574   1370.6   1371.0     -0.4
+  1   9   5   1    48  0.525168  3926.635     8.574   2741.2   2742.1     -0.9
+  1   8   6   2    48  0.532689  3982.867     8.650   6359.8   5967.0    392.8
+  1  10   2   0    24  0.532689  3982.867     8.650   3179.9   2983.5    196.4
+  1   7   7   1    24  0.545975  4082.205     8.785   1693.6   1723.4    -29.8
+  1   7   5   5    24  0.545975  4082.205     8.785   1693.6   1723.4    -29.8
+  1   9   3   3    24  0.545975  4082.205     8.785   1693.6   1723.4    -29.8
+  1   8   4   4    24  0.554440  4145.499     8.872   3657.6   3767.8   -110.2
+  1   9   3   1    48  0.569468  4257.863     9.027   3961.4   4389.9   -428.5
+  1   6   6   4    24  0.579094  4329.833     9.127   4152.6   4825.2   -672.6
+  1   8   4   2    48  0.592721  4431.725     9.270      0.0      0.0      0.0
+  1   7   5   3    48  0.596281  4458.342     9.307   5743.6   5678.4     65.3
+  1   9   1   1    24  0.596281  4458.342     9.307   2871.8   2839.2     32.6
+  1   8   4   0    24  0.607359  4541.167     9.424   5711.8   6282.6   -570.8
+  1   6   6   2    24  0.623137  4659.139     9.592      0.0      0.0      0.0
+  1   5   5   5     8  0.627277  4690.097     9.636   1182.8   1247.2    -64.4
+  1   7   5   1    48  0.627277  4690.097     9.636   7096.9   7483.4   -386.6
+  1   8   2   2    24  0.640212  4786.810     9.775   8149.8   8346.4   -196.6
+  1   6   6   0    12  0.640212  4786.810     9.775   4074.9   4173.2    -98.3
+  1   6   4   4    24  0.658773  4925.587     9.976      0.0      0.0      0.0
+  1   7   3   3    24  0.663671  4962.209    10.029   4302.2   5045.3   -743.2
+  1   8   0   0     6  0.679048  5077.179    10.197   2694.3   2841.8   -147.4
+  1   5   5   3    24  0.707236  5287.939    10.507   7370.8   7001.3    369.5
+  1   7   3   1    48  0.707236  5287.939    10.507  14741.7  14002.6    739.1
+  1   6   4   2    48  0.725933  5427.732    10.715  33349.6  31952.7   1397.0
+  1   5   5   1    24  0.760686  5687.578    11.104  10524.6  10082.9    441.7
+  1   7   1   1    24  0.760686  5687.578    11.104  10524.6  10082.9    441.7
+  1   4   4   4     8  0.784097  5862.621    11.369   7252.4   7800.0   -547.6
+  1   6   2   2    24  0.818962  6123.308    11.766      0.0      0.0      0.0
+  1   5   3   3    24  0.828431  6194.101    11.874  15733.2  15262.7    470.5
+  1   6   2   0    24  0.858935  6422.179    12.225  38815.7  36259.3   2556.3
+  1   4   4   2    24  0.905397  6769.572    12.765      0.0      0.0      0.0
+  1   5   3   1    48  0.918240  6865.599    12.915  51350.2  49579.9   1770.3
+  1   4   4   0    12  0.960319  7180.215    13.408  32623.2  30482.7   2140.6
+  1   5   1   1    24  1.045462  7816.828    14.417  46307.9  44825.8   1482.1
+  1   3   3   3     8  1.045462  7816.828    14.417  15436.0  14941.9    494.0
+  1   4   2   2    24  1.108880  8290.998    15.176 119892.7 116628.4   3264.2
+  1   3   3   1    24  1.246274  9318.277    16.838  98408.5  97407.4   1001.1
+  1   4   0   0     6  1.358096 10154.358    18.205  70164.3  70594.4   -430.1
+  1   2   2   2     8  1.568194 11725.242    20.796      0.0      0.0      0.0
+  1   3   1   1    24  1.637925 12246.616    21.662 312049.3 312721.0   -671.7
+  1   2   2   0    12  1.920637 14360.431    25.192 601662.9 607720.4  -6057.5
+  1   1   1   1     8  3.136387 23450.484    40.5641534575.91508071.9  26504.0
         
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.new b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.new
index 1fabe9039..a8353558f 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.new
+++ b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.new
@@ -1,11 +1,11 @@
 COMM  Backscattering Bank (2theta= 144.845)  Si- Argonne
-! Current global Chi2 (Bragg contrib.) =      5.440    
+! Current global Chi2 (Bragg contrib.) =      5.413    
 ! Files => DAT-file: arg_si.dat,  PCR-file: arg_si
 !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut
   -1   9   1  -4   2   0   0   0   0   0   0   0   0   0   0   1   0   0   1
 !
 !Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana
-   2   0   1   0   2   0   4   0   0   3  12   1   1   1   2   0   0
+   2   0   1   0   2   0   4   0   0  -3  12   1   1   1   2   0   0
 !
 !  Bkpos        Wdt    Iabscor for Pattern#  1
      150.000   30.00     2
@@ -17,20 +17,20 @@ COMM  Backscattering Bank (2theta= 144.845)  Si- Argonne
     29999.00    40000.00
 ! 
 !
-      16    !Number of refined parameters
+       0    !Number of refined parameters
 !
 !    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  1
-    -8.57207  101.00  7476.91016    0.00    -1.54000    0.00     0.00000    0.00   144.845
+    -8.56733    0.00  7476.91016    0.00    -1.54000    0.00     0.00000    0.00   144.845
 !
 !   Background coefficients/codes  for Pattern#  1  (Fourier cosine series, up to 18 coefficients)
      154.316       1.340      37.000      12.332      17.706       4.785
-       21.00       31.00       41.00       61.00       71.00       81.00
+        0.00        0.00        0.00        0.00        0.00        0.00
        6.808       0.000       0.000       0.000       0.000       0.000
-       91.00        0.00        0.00        0.00        0.00        0.00
+        0.00        0.00        0.00        0.00        0.00        0.00
        0.000       0.000       0.000       0.000       0.000       0.000
         0.00        0.00        0.00        0.00        0.00        0.00
 !-------------------------------------------------------------------------------
-!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   2.0420
+!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   2.0355
 !-------------------------------------------------------------------------------
 Standard-Si
 !
@@ -40,24 +40,24 @@ Standard-Si
 !
 F d -3 m                 <--Space group symbol
 !Atom   Typ       X        Y        Z     Biso       Occ     In Fin N_t Spc /Codes
-Si     SI      0.12500  0.12500  0.12500  0.54096   1.00000   0   0   0    0  # color green conn Si Si 0 2.5
-                  0.00     0.00     0.00   111.00      0.00
+Si     SI      0.12500  0.12500  0.12500  0.54095   1.00000   0   0   0    0  # color green conn Si Si 0 2.5
+                  0.00     0.00     0.00     0.00      0.00
 !-------> Profile Parameters for Pattern #   1  ----> Phase #   1
 !  Scale          Extinc       Bov      Str1      Str2      Str3    Strain-Mode
- 0.6620200        0.0000    0.0000    0.0000    0.0000    0.0000         0
-      11.00000      0.00      0.00      0.00      0.00      0.00
+ 0.6620058        0.0000    0.0000    0.0000    0.0000    0.0000         0
+       0.00000      0.00      0.00      0.00      0.00      0.00
 !      Sigma-2       Sigma-1       Sigma-0       Sigma-Q   Iso-GStrain     Iso-GSize     Ani-LSize   Size-Model
-        0.0000       29.6391        5.0793        0.0000        0.0000        0.0000        0.0000       0
-          0.00        121.00        131.00          0.00          0.00          0.00          0.00
+        0.0000       29.6492        5.0790        0.0000        0.0000        0.0000        0.0000       0
+          0.00          0.00          0.00          0.00          0.00          0.00          0.00
 !      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
         0.0000        0.0000        0.0000        0.0000        0.0000
           0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
-   5.432381   5.432381   5.432381  90.000000  90.000000  90.000000   # multiple box -1.15 1.15 -1.15 1.15 -0.15 1.15
-   51.00000   51.00000   51.00000    0.00000    0.00000    0.00000
+!     a          b         c        alpha      beta       gamma      # Cell Info
+   5.432382   5.432382   5.432382  90.000000  90.000000  90.000000   # multiple box -1.15 1.15 -1.15 1.15 -0.15 1.15
+    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 !      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
-    0.000000    0.000000    0.000000    0.038017    0.235368    0.010903    0.000000    0.000000
-        0.00        0.00        0.00      141.00      151.00      161.00        0.00        0.00
+    0.000000    0.000000    0.000000    0.038020    0.235422    0.010902    0.000000    0.000000
+        0.00        0.00        0.00        0.00        0.00        0.00        0.00        0.00
 !Absorption correction parameters
    0.00000    0.00   0.00000    0.00            ABS: ABSCOR1  ABSCOR2
 !  2Th1/TOF1    2Th2/TOF2  Pattern to plot
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.out b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.out
index bb9748b63..e3413033d 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.out
+++ b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.out
@@ -1,17 +1,17 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 08/06/2026  Time: 14:28:36.829                              
+    Date: 09/06/2026  Time: 12:42:03.584                              
 
  => PCR file code: arg_si
- => DAT file code: arg_si.dat           -> Relative contribution: 1.0000                                                            
+ => DAT file code: arg_si               -> Relative contribution: 1.0000                                                            
 
  ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
 
@@ -47,7 +47,7 @@
  => Number of cycles:   50
  => Relaxation factors ==>    for coordinates:  0.02
  => for anisotropic temperature factors:  0.02
- => for halfwidth/strain/size parameters:  0.02
+ => for halfwidth/strain/size/further parameters:  0.02
  => for lattice constants and propagation vectors:  0.02
  => EPS-value for convergence:    0.1
 
@@ -56,18 +56,18 @@
    1000.1000   2000.0000
   29999.0000  40000.0000
 
- => Number of Least-Squares parameters varied:    16
+ => Number of Least-Squares parameters varied:     0
 
  =>--------------------------->
  =>------->  PATTERN number:  1
  =>--------------------------->
  => Global parameters and codes ==>
- => Zero-point:    -8.5723  101.0000
+ => Zero-point:    -8.5673    0.0000
  => Background parameters and codes for cosine Fourier series ==>
   154.32      1.3400      37.000      12.332      17.706      4.7850    
-       21.00       31.00       41.00       61.00       71.00       81.00
+        0.00        0.00        0.00        0.00        0.00        0.00
   6.8080      0.0000      0.0000      0.0000      0.0000      0.0000    
-       91.00        0.00        0.00        0.00        0.00        0.00
+        0.00        0.00        0.00        0.00        0.00        0.00
   0.0000      0.0000      0.0000      0.0000      0.0000      0.0000    
         0.00        0.00        0.00        0.00        0.00        0.00
  => D-spacing to T.O.F. coefficient dtt1 and code:   7476.910     0.000
@@ -398,12 +398,12 @@
  Atom    Ntyp                  X         Y         Z         B         occ.         in  fin  Spc  Mult
                              B11       B22       B33       B12       B13       B23
  Si     SI                 0.12500   0.12500   0.12500   0.54095   1.00000           0    0    0    8
-                 Codes:    0.00000   0.00000   0.00000 111.00000   0.00000
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
 
- => IT IS ASSUMED THAT THE FIRST GIVEN SITE IS FULLY OCCUPIED 
-    OR THE FIRST AND SECOND ATOMS ARE IN THE SAME SITE WITH TOTAL FULL OCCUPATION
+ => It is assumed that THE FIRST GIVEN SITE plus all the other atoms 
+    occupying THE SAME POSITION have a total full occupation (no vacancies!)
   (if this is not the case, change the order of atoms to obtain correct values for the content of the unit cell)
-    The given occupation factors have been obtained mutiplying m/M by  24.0000
+    The given occupation factors have been obtained mutiplying m/M by   1.0000
       -> Atom: SI  ,  Chemical element: SI  Atomic Mass:    28.0860
  => The given value of ATZ is     129420.29 the program has calculated:      129420.29
     The value of ATZ given in the input PCR file will be used for quantitative analysis
@@ -415,7 +415,7 @@
 
  =>-------> PROFILE PARAMETERS FOR PATTERN:  1
 
- => Overall scale factor:   0.662018    
+ => Overall scale factor:   0.662006    
  => T.O.F. Extinction parameter:   0.0000
  => Overall temperature factor:      0.00000
  => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:      0.00000    29.64920     5.07900     0.00000
@@ -431,17 +431,17 @@
 
  ==> CODEWORDS FOR PROFILE PARAMETERS of PATTERN#  1
 
- => Codeword -Overall scale factor:   11.0000    
+ => Codeword -Overall scale factor:   0.00000    
  => Codeword  - T.O.F. Extinction parameter:   0.0000
  => Codeword  - Overall temperature factor:      0.00000
- => Codewords - T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:      0.00000   121.00000   131.00000     0.00000
+ => Codewords - T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:      0.00000     0.00000     0.00000     0.00000
  => Codewords - T.O.F. Isotropic Gaussian strain parameter (G-strain):       0.0000
  => Codewords - T.O.F. Iso-Gaussian and Aniso-Lor (platelets/needles) Size parameters (G-Size,Ani-LorSize)  :      0.00000     0.00000
  => Codewords - T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000     0.00000     0.00000
  => Codewords - T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz):      0.00000     0.00000
- => Codewords - Direct cell parameters:   51.0000  51.0000  51.0000   0.0000   0.0000   0.0000
+ => Codewords - Direct cell parameters:    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
  => Codewords - Preferred orientation parameters:   0.0000  0.0000
- => Codewords - T.O.F. Peak shape parameter alpha0,beta0,alpha1,beta1/kappa,alpha-q,beta-Q:      0.00000   141.00000   151.00000   161.00000     0.00000     0.00000
+ => Codewords - T.O.F. Peak shape parameter alpha0,beta0,alpha1,beta1/kappa,alpha-q,beta-Q:      0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
 => Codewords - Model-dependent Strain parameters s2,s1,s0:      0.00000     0.00000     0.00000
 
 
@@ -454,7 +454,7 @@
 
          a =       5.4324      b =       5.4324      c =       5.4324
      alpha =       90.000   beta =       90.000  gamma =       90.000
-                        Direct Cell Volume =     160.3137
+                        Direct Cell Volume =     160.3138
 
  => Reciprocal cell parameters:
 
@@ -493,311 +493,30 @@
  => Scattering lengths:
 
  SI     0.4149
-
-     --------------------------------------------------------------
-      SYMBOLIC NAMES AND INITIAL VALUES OF PARAMETERS TO BE VARIED:
-     --------------------------------------------------------------
-
-      ->  Parameter number    1   -> Symbolic Name:                                     Scale_ph1_pat1    0.66201848    
-      ->  Parameter number    2   -> Symbolic Name:                                         Bck_0_pat1     154.31599    
-      ->  Parameter number    3   -> Symbolic Name:                                         Bck_1_pat1     1.3400000    
-      ->  Parameter number    4   -> Symbolic Name:                                         Bck_2_pat1     37.000000    
-      ->  Parameter number    5   -> Symbolic Name:                                    Cell_A_ph1_pat1     5.4323812    
-      ->  Parameter number    6   -> Symbolic Name:                                         Bck_3_pat1     12.332000    
-      ->  Parameter number    7   -> Symbolic Name:                                         Bck_4_pat1     17.705999    
-      ->  Parameter number    8   -> Symbolic Name:                                         Bck_5_pat1     4.7849998    
-      ->  Parameter number    9   -> Symbolic Name:                                         Bck_6_pat1     6.8080001    
-      ->  Parameter number   10   -> Symbolic Name:                                          Zero_pat1    -8.5722799    
-      ->  Parameter number   11   -> Symbolic Name:                                        Biso_Si_ph1    0.54095000    
-      ->  Parameter number   12   -> Symbolic Name:                                     Sig-1_ph1_pat1     29.649200    
-      ->  Parameter number   13   -> Symbolic Name:                                     Sig-0_ph1_pat1     5.0790000    
-      ->  Parameter number   14   -> Symbolic Name:                                     Beta0_ph1_pat1    0.38020000E-01
-      ->  Parameter number   15   -> Symbolic Name:                                    Alpha1_ph1_pat1    0.23542200    
-      ->  Parameter number   16   -> Symbolic Name:                                     Beta1_ph1_pat1    0.10902000E-01
   
  
  => No optimization for routine tasks
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
  => CYCLE No.:    1
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
- => New parameters, shifts, and standard deviations
-
- Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
-
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54095 0.00000 0.00478  1.00000 0.00000 0.00000
-
- ==> PROFILE PARAMETERS FOR PATTERN#  1
-
- => Overall scale factor       :      0.662018597     0.000000135     0.002023790
- => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
- => Overall temperature  factor:     0.000000    0.000000    0.000000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-         0.000000    0.000000    0.000000
-        29.648376   -0.000823    0.996512
-         5.079024    0.000024    0.487327
-
- => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
- => T.O.F. Isotropic Gaussian  Size  parameter (G-size)  ::      0.00000     0.00000     0.00000
- => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize)  ::      0.00000     0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz): 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Model-dependent Strain parameters s2,s1,s0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Direct cell parameters: 
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-
- => Preferred orientation parameters: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
-        0.000000    0.000000    0.000000
-        0.038020   -0.000000    0.000211
-        0.235418   -0.000004    0.005183
-        0.010902    0.000000    0.000206
-
- => Absorption parameters: 
-       0.000000  0.000000  0.000000
-       0.000000  0.000000  0.000000
-
- ==> GLOBAL PARAMETERS FOR PATTERN#  1
-
-
- => Zero-point:    -8.5723    0.0000    0.0888
- =>  Cosine Fourier Background Parameters ==>
-       154.32    -0.12054E-04 0.66900    
-       1.3400     0.40802E-05  1.1746    
-       37.000     0.93378E-05  1.0290    
-       12.332     0.68962E-05 0.94645    
-       17.706     0.25108E-05 0.92151    
-       4.7850    -0.11123E-04 0.76596    
-       6.8080    -0.56906E-05 0.53147    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):   7476.91      0.00      0.00
- => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.54      0.00      0.00
- => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00      0.00
-
- ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
-
- => R-Factors:   8.73      6.36     Chi2:  3.03     DW-Stat.:  0.9736   Patt#:  1
- => Expected :            3.66                                1.9228
- => Deviance : 0.322E+05     Dev*:   5.757    
- => GoF-index:  1.7         Sqrt(Residual/N)
- => N-P+C:  5584
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1289E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.15      3.028    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6424E+06    0.1092E+07
-
-
- ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
-
- => R-Factors:   5.93      5.83     Chi2:  4.41     DW-Stat.:  1.2001   Patt#:
- => Expected :            2.77                                1.8991
- => Deviance : 0.130E+05     Dev*:   4.174    
- => GoF-index:  2.1         Sqrt(Residual/N)
- => N-P+C:  3108
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.6423E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.34      4.413    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6343E+06    0.1089E+07
-
-
- => Global user-weigthed Chi2 (Bragg contrib.):   4.41    
-
- => ---------> Pattern#  1
- => Phase:  1
- =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  11.8    
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-
- => CYCLE No.:    2
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
- => New parameters, shifts, and standard deviations
-
- Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
-
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54095 0.00000 0.00478  1.00000 0.00000 0.00000
-
- ==> PROFILE PARAMETERS FOR PATTERN#  1
-
- => Overall scale factor       :      0.662018716     0.000000135     0.002023792
- => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
- => Overall temperature  factor:     0.000000    0.000000    0.000000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-         0.000000    0.000000    0.000000
-        29.647560   -0.000816    0.996497
-         5.079047    0.000024    0.487325
-
- => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
- => T.O.F. Isotropic Gaussian  Size  parameter (G-size)  ::      0.00000     0.00000     0.00000
- => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize)  ::      0.00000     0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz): 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Model-dependent Strain parameters s2,s1,s0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Direct cell parameters: 
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-
- => Preferred orientation parameters: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
-        0.000000    0.000000    0.000000
-        0.038020   -0.000000    0.000211
-        0.235413   -0.000004    0.005183
-        0.010902    0.000000    0.000206
-
- => Absorption parameters: 
-       0.000000  0.000000  0.000000
-       0.000000  0.000000  0.000000
-
- ==> GLOBAL PARAMETERS FOR PATTERN#  1
-
-
- => Zero-point:    -8.5722    0.0000    0.0888
- =>  Cosine Fourier Background Parameters ==>
-       154.32    -0.11891E-04 0.66900    
-       1.3400     0.43084E-05  1.1746    
-       37.000     0.92235E-05  1.0290    
-       12.332     0.70775E-05 0.94645    
-       17.706     0.22680E-05 0.92151    
-       4.7850    -0.10939E-04 0.76596    
-       6.8080    -0.57280E-05 0.53147    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):   7476.91      0.00      0.00
- => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.54      0.00      0.00
- => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00      0.00
-
- ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
-
- => R-Factors:   8.73      6.36     Chi2:  3.03     DW-Stat.:  0.9736   Patt#:  1
- => Expected :            3.66                                1.9228
- => Deviance : 0.322E+05     Dev*:   5.757    
- => GoF-index:  1.7         Sqrt(Residual/N)
- => N-P+C:  5584
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1290E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.15      3.028    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6424E+06    0.1092E+07
-
-
- ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
-
- => R-Factors:   5.93      5.83     Chi2:  4.41     DW-Stat.:  1.2001   Patt#:
- => Expected :            2.77                                1.8991
- => Deviance : 0.130E+05     Dev*:   4.174    
- => GoF-index:  2.1         Sqrt(Residual/N)
- => N-P+C:  3108
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.6423E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.34      4.413    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6343E+06    0.1089E+07
-
-
- => Global user-weigthed Chi2 (Bragg contrib.):   4.41    
-
- => ---------> Pattern#  1
- => Phase:  1
- =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  11.8    
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-
- => CYCLE No.:    3
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: Standard-Si
+ ------------------------------------------------------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
 
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54095 0.00000 0.00478  1.00000 0.00000 0.00000
+ Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54095 0.00000 0.00000  1.00000 0.00000 0.00000
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
- => Overall scale factor       :      0.662018836     0.000000135     0.002023793
+ => Overall scale factor       :      0.662005782     0.000000000     0.000000000
  => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
  => Overall temperature  factor:     0.000000    0.000000    0.000000
  => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
          0.000000    0.000000    0.000000
-        29.646751   -0.000809    0.996485
-         5.079071    0.000024    0.487322
+        29.649200    0.000000    0.000000
+         5.079000    0.000000    0.000000
 
  => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
  => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
@@ -818,9 +537,9 @@
          0.000000    0.000000    0.000000
 
  => Direct cell parameters: 
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
+        5.432382    0.000000    0.000000
+        5.432382    0.000000    0.000000
+        5.432382    0.000000    0.000000
        90.000000    0.000000    0.000000
        90.000000    0.000000    0.000000
        90.000000    0.000000    0.000000
@@ -831,9 +550,9 @@
 
  => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
         0.000000    0.000000    0.000000
-        0.038019   -0.000000    0.000211
-        0.235409   -0.000004    0.005182
-        0.010902    0.000000    0.000206
+        0.038020    0.000000    0.000000
+        0.235422    0.000000    0.000000
+        0.010902    0.000000    0.000000
 
  => Absorption parameters: 
        0.000000  0.000000  0.000000
@@ -842,15 +561,15 @@
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:    -8.5722    0.0000    0.0888
+ => Zero-point:    -8.5673    0.0000    0.0000
  =>  Cosine Fourier Background Parameters ==>
-       154.32    -0.11759E-04 0.66900    
-       1.3400     0.44533E-05  1.1746    
-       37.000     0.91996E-05  1.0290    
-       12.332     0.69987E-05 0.94645    
-       17.706     0.22098E-05 0.92151    
-       4.7850    -0.10826E-04 0.76596    
-       6.8080    -0.57578E-05 0.53147    
+       154.32      0.0000      0.0000    
+       1.3400      0.0000      0.0000    
+       37.000      0.0000      0.0000    
+       12.332      0.0000      0.0000    
+       17.706      0.0000      0.0000    
+       4.7850      0.0000      0.0000    
+       6.8080      0.0000      0.0000    
        0.0000      0.0000      0.0000    
        0.0000      0.0000      0.0000    
        0.0000      0.0000      0.0000    
@@ -869,1374 +588,74 @@
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
- => R-Factors:   8.73      6.36     Chi2:  3.03     DW-Stat.:  0.9736   Patt#:  1
- => Expected :            3.66                                1.9228
- => Deviance : 0.322E+05     Dev*:   5.757    
+ => R-Factors:   8.73      6.36     Chi2:  3.02     DW-Stat.:  0.9734   Patt#:  1
+ => Expected :            3.66                                1.9171
+ => Deviance : 0.322E+05     Dev*:   5.740    
  => GoF-index:  1.7         Sqrt(Residual/N)
- => N-P+C:  5584
+ => N-P+C:  5600
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1290E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05    0.7134E+14
+     0.1289E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.15      3.028    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.16      3.019    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.6424E+06    0.1092E+07
 
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => R-Factors:   5.93      5.83     Chi2:  4.41     DW-Stat.:  1.2001   Patt#:
- => Expected :            2.77                                1.8991
- => Deviance : 0.130E+05     Dev*:   4.174    
+ => R-Factors:   5.93      5.83     Chi2:  4.39     DW-Stat.:  1.2000   Patt#:
+ => Expected :            2.78                                1.8888
+ => Deviance : 0.130E+05     Dev*:   4.152    
  => GoF-index:  2.1         Sqrt(Residual/N)
- => N-P+C:  3108
+ => N-P+C:  3124
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.6423E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05    0.7134E+14
+     0.6418E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.34      4.413    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.36      4.391    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.6343E+06    0.1089E+07
 
 
- => Global user-weigthed Chi2 (Bragg contrib.):   4.41    
+ => Global user-weigthed Chi2 (Bragg contrib.):   4.39    
 
  => ---------> Pattern#  1
  => Phase:  1
  =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  11.8    
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-
- => CYCLE No.:    4
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
- => New parameters, shifts, and standard deviations
-
- Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
-
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54095 0.00000 0.00478  1.00000 0.00000 0.00000
-
- ==> PROFILE PARAMETERS FOR PATTERN#  1
-
- => Overall scale factor       :      0.662018955     0.000000135     0.002023797
- => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
- => Overall temperature  factor:     0.000000    0.000000    0.000000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-         0.000000    0.000000    0.000000
-        29.645950   -0.000801    0.996463
-         5.079094    0.000024    0.487319
-
- => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
- => T.O.F. Isotropic Gaussian  Size  parameter (G-size)  ::      0.00000     0.00000     0.00000
- => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize)  ::      0.00000     0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz): 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Model-dependent Strain parameters s2,s1,s0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Direct cell parameters: 
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
+ =>    RF-factor     :  13.5    
 
- => Preferred orientation parameters: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
-        0.000000    0.000000    0.000000
-        0.038019   -0.000000    0.000211
-        0.235405   -0.000004    0.005182
-        0.010902    0.000000    0.000206
-
- => Absorption parameters: 
-       0.000000  0.000000  0.000000
-       0.000000  0.000000  0.000000
-
- ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
+   Standard deviations have to be multiplied by: 2.6189
+   (correlated residuals) See references:
+  -J.F.Berar & P.Lelann, J. Appl. Cryst. 24, 1-5 (1991) 
+  -J.F.Berar, Acc. in Pow. Diff. II,NIST Sp.Pub. 846, 63(1992) 
 
- => Zero-point:    -8.5722    0.0000    0.0888
- =>  Cosine Fourier Background Parameters ==>
-       154.32    -0.11654E-04 0.66900    
-       1.3400     0.48120E-05  1.1746    
-       37.000     0.89343E-05  1.0290    
-       12.332     0.72897E-05 0.94645    
-       17.706     0.19250E-05 0.92151    
-       4.7850    -0.10642E-04 0.76596    
-       6.8080    -0.57930E-05 0.53147    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):   7476.91      0.00      0.00
- => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.54      0.00      0.00
- => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00      0.00
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
- ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
-
- => R-Factors:   8.73      6.36     Chi2:  3.03     DW-Stat.:  0.9736   Patt#:  1
- => Expected :            3.66                                1.9228
- => Deviance : 0.322E+05     Dev*:   5.757    
- => GoF-index:  1.7         Sqrt(Residual/N)
- => N-P+C:  5584
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1290E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.15      3.028    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6424E+06    0.1092E+07
-
-
- ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
-
- => R-Factors:   5.93      5.83     Chi2:  4.41     DW-Stat.:  1.2001   Patt#:
- => Expected :            2.77                                1.8991
- => Deviance : 0.130E+05     Dev*:   4.174    
- => GoF-index:  2.1         Sqrt(Residual/N)
- => N-P+C:  3108
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.6423E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.34      4.413    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6343E+06    0.1089E+07
-
-
- => Global user-weigthed Chi2 (Bragg contrib.):   4.41    
-
- => ---------> Pattern#  1
- => Phase:  1
- =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  11.8    
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-
- => CYCLE No.:    5
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
- => New parameters, shifts, and standard deviations
-
- Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
-
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54095 0.00000 0.00478  1.00000 0.00000 0.00000
-
- ==> PROFILE PARAMETERS FOR PATTERN#  1
-
- => Overall scale factor       :      0.662019074     0.000000135     0.002023798
- => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
- => Overall temperature  factor:     0.000000    0.000000    0.000000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-         0.000000    0.000000    0.000000
-        29.645157   -0.000794    0.996453
-         5.079117    0.000024    0.487317
-
- => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
- => T.O.F. Isotropic Gaussian  Size  parameter (G-size)  ::      0.00000     0.00000     0.00000
- => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize)  ::      0.00000     0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz): 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Model-dependent Strain parameters s2,s1,s0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Direct cell parameters: 
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-
- => Preferred orientation parameters: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
-        0.000000    0.000000    0.000000
-        0.038019   -0.000000    0.000211
-        0.235400   -0.000004    0.005182
-        0.010902    0.000000    0.000206
-
- => Absorption parameters: 
-       0.000000  0.000000  0.000000
-       0.000000  0.000000  0.000000
-
- ==> GLOBAL PARAMETERS FOR PATTERN#  1
-
-
- => Zero-point:    -8.5722    0.0000    0.0888
- =>  Cosine Fourier Background Parameters ==>
-       154.32    -0.11518E-04 0.66900    
-       1.3400     0.50909E-05  1.1746    
-       37.000     0.88270E-05  1.0290    
-       12.332     0.73649E-05 0.94645    
-       17.706     0.18156E-05 0.92151    
-       4.7849    -0.10547E-04 0.76596    
-       6.8080    -0.57561E-05 0.53148    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):   7476.91      0.00      0.00
- => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.54      0.00      0.00
- => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00      0.00
-
- ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
-
- => R-Factors:   8.73      6.36     Chi2:  3.03     DW-Stat.:  0.9736   Patt#:  1
- => Expected :            3.66                                1.9228
- => Deviance : 0.322E+05     Dev*:   5.757    
- => GoF-index:  1.7         Sqrt(Residual/N)
- => N-P+C:  5584
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1290E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.15      3.028    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6424E+06    0.1092E+07
-
-
- ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
-
- => R-Factors:   5.93      5.83     Chi2:  4.41     DW-Stat.:  1.2001   Patt#:
- => Expected :            2.77                                1.8991
- => Deviance : 0.130E+05     Dev*:   4.174    
- => GoF-index:  2.1         Sqrt(Residual/N)
- => N-P+C:  3108
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.6423E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.34      4.413    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6343E+06    0.1089E+07
-
-
- => Global user-weigthed Chi2 (Bragg contrib.):   4.41    
-
- => ---------> Pattern#  1
- => Phase:  1
- =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  11.8    
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-
- => CYCLE No.:    6
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
- => New parameters, shifts, and standard deviations
-
- Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
-
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54095 0.00000 0.00478  1.00000 0.00000 0.00000
-
- ==> PROFILE PARAMETERS FOR PATTERN#  1
-
- => Overall scale factor       :      0.662019193     0.000000134     0.002023797
- => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
- => Overall temperature  factor:     0.000000    0.000000    0.000000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-         0.000000    0.000000    0.000000
-        29.644369   -0.000787    0.996435
-         5.079141    0.000024    0.487315
-
- => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
- => T.O.F. Isotropic Gaussian  Size  parameter (G-size)  ::      0.00000     0.00000     0.00000
- => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize)  ::      0.00000     0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz): 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Model-dependent Strain parameters s2,s1,s0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Direct cell parameters: 
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-
- => Preferred orientation parameters: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
-        0.000000    0.000000    0.000000
-        0.038019   -0.000000    0.000211
-        0.235396   -0.000004    0.005181
-        0.010902    0.000000    0.000206
-
- => Absorption parameters: 
-       0.000000  0.000000  0.000000
-       0.000000  0.000000  0.000000
-
- ==> GLOBAL PARAMETERS FOR PATTERN#  1
-
-
- => Zero-point:    -8.5722    0.0000    0.0888
- =>  Cosine Fourier Background Parameters ==>
-       154.32    -0.11276E-04 0.66900    
-       1.3400     0.48353E-05  1.1746    
-       37.000     0.91775E-05  1.0290    
-       12.332     0.69249E-05 0.94645    
-       17.706     0.22149E-05 0.92151    
-       4.7849    -0.10670E-04 0.76596    
-       6.8080    -0.56093E-05 0.53148    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):   7476.91      0.00      0.00
- => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.54      0.00      0.00
- => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00      0.00
-
- ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
-
- => R-Factors:   8.73      6.36     Chi2:  3.03     DW-Stat.:  0.9736   Patt#:  1
- => Expected :            3.66                                1.9228
- => Deviance : 0.322E+05     Dev*:   5.757    
- => GoF-index:  1.7         Sqrt(Residual/N)
- => N-P+C:  5584
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1290E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.15      3.028    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6424E+06    0.1092E+07
-
-
- ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
-
- => R-Factors:   5.93      5.83     Chi2:  4.41     DW-Stat.:  1.2001   Patt#:
- => Expected :            2.77                                1.8991
- => Deviance : 0.130E+05     Dev*:   4.174    
- => GoF-index:  2.1         Sqrt(Residual/N)
- => N-P+C:  3108
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.6424E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.34      4.413    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6343E+06    0.1089E+07
-
-
- => Global user-weigthed Chi2 (Bragg contrib.):   4.41    
-
- => ---------> Pattern#  1
- => Phase:  1
- =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  11.8    
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-
- => CYCLE No.:    7
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
- => New parameters, shifts, and standard deviations
-
- Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
-
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54095 0.00000 0.00478  1.00000 0.00000 0.00000
-
- ==> PROFILE PARAMETERS FOR PATTERN#  1
-
- => Overall scale factor       :      0.662019312     0.000000134     0.002023797
- => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
- => Overall temperature  factor:     0.000000    0.000000    0.000000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-         0.000000    0.000000    0.000000
-        29.643589   -0.000780    0.996420
-         5.079165    0.000024    0.487312
-
- => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
- => T.O.F. Isotropic Gaussian  Size  parameter (G-size)  ::      0.00000     0.00000     0.00000
- => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize)  ::      0.00000     0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz): 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Model-dependent Strain parameters s2,s1,s0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Direct cell parameters: 
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-
- => Preferred orientation parameters: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
-        0.000000    0.000000    0.000000
-        0.038018   -0.000000    0.000211
-        0.235392   -0.000004    0.005181
-        0.010902    0.000000    0.000206
-
- => Absorption parameters: 
-       0.000000  0.000000  0.000000
-       0.000000  0.000000  0.000000
-
- ==> GLOBAL PARAMETERS FOR PATTERN#  1
-
-
- => Zero-point:    -8.5722    0.0000    0.0888
- =>  Cosine Fourier Background Parameters ==>
-       154.32    -0.11105E-04 0.66900    
-       1.3400     0.49516E-05  1.1746    
-       37.000     0.92140E-05  1.0290    
-       12.332     0.68955E-05 0.94645    
-       17.706     0.21863E-05 0.92151    
-       4.7849    -0.10556E-04 0.76596    
-       6.8080    -0.56154E-05 0.53148    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):   7476.91      0.00      0.00
- => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.54      0.00      0.00
- => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00      0.00
-
- ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
-
- => R-Factors:   8.73      6.36     Chi2:  3.03     DW-Stat.:  0.9736   Patt#:  1
- => Expected :            3.66                                1.9228
- => Deviance : 0.322E+05     Dev*:   5.757    
- => GoF-index:  1.7         Sqrt(Residual/N)
- => N-P+C:  5584
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1290E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.15      3.028    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6424E+06    0.1092E+07
-
-
- ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
-
- => R-Factors:   5.93      5.83     Chi2:  4.41     DW-Stat.:  1.2001   Patt#:
- => Expected :            2.77                                1.8991
- => Deviance : 0.130E+05     Dev*:   4.174    
- => GoF-index:  2.1         Sqrt(Residual/N)
- => N-P+C:  3108
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.6424E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.34      4.413    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6343E+06    0.1089E+07
-
-
- => Global user-weigthed Chi2 (Bragg contrib.):   4.41    
-
- => ---------> Pattern#  1
- => Phase:  1
- =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  11.8    
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-
- => CYCLE No.:    8
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
- => New parameters, shifts, and standard deviations
-
- Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
-
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54095 0.00000 0.00478  1.00000 0.00000 0.00000
-
- ==> PROFILE PARAMETERS FOR PATTERN#  1
-
- => Overall scale factor       :      0.662019432     0.000000134     0.002023798
- => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
- => Overall temperature  factor:     0.000000    0.000000    0.000000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-         0.000000    0.000000    0.000000
-        29.642817   -0.000773    0.996406
-         5.079188    0.000024    0.487309
-
- => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
- => T.O.F. Isotropic Gaussian  Size  parameter (G-size)  ::      0.00000     0.00000     0.00000
- => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize)  ::      0.00000     0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz): 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Model-dependent Strain parameters s2,s1,s0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Direct cell parameters: 
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-
- => Preferred orientation parameters: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
-        0.000000    0.000000    0.000000
-        0.038018   -0.000000    0.000211
-        0.235388   -0.000004    0.005181
-        0.010902    0.000000    0.000206
-
- => Absorption parameters: 
-       0.000000  0.000000  0.000000
-       0.000000  0.000000  0.000000
-
- ==> GLOBAL PARAMETERS FOR PATTERN#  1
-
-
- => Zero-point:    -8.5721    0.0000    0.0888
- =>  Cosine Fourier Background Parameters ==>
-       154.32    -0.10900E-04 0.66900    
-       1.3400     0.48813E-05  1.1746    
-       37.000     0.93205E-05  1.0290    
-       12.332     0.68799E-05 0.94645    
-       17.706     0.19501E-05 0.92151    
-       4.7849    -0.10361E-04 0.76596    
-       6.8080    -0.56529E-05 0.53148    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):   7476.91      0.00      0.00
- => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.54      0.00      0.00
- => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00      0.00
-
- ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
-
- => R-Factors:   8.73      6.36     Chi2:  3.03     DW-Stat.:  0.9736   Patt#:  1
- => Expected :            3.66                                1.9228
- => Deviance : 0.322E+05     Dev*:   5.757    
- => GoF-index:  1.7         Sqrt(Residual/N)
- => N-P+C:  5584
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1290E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.15      3.028    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6424E+06    0.1092E+07
-
-
- ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
-
- => R-Factors:   5.93      5.83     Chi2:  4.41     DW-Stat.:  1.2001   Patt#:
- => Expected :            2.77                                1.8991
- => Deviance : 0.130E+05     Dev*:   4.174    
- => GoF-index:  2.1         Sqrt(Residual/N)
- => N-P+C:  3108
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.6424E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.34      4.413    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6343E+06    0.1089E+07
-
-
- => Global user-weigthed Chi2 (Bragg contrib.):   4.41    
-
- => ---------> Pattern#  1
- => Phase:  1
- =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  11.8    
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-
- => CYCLE No.:    9
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
- => New parameters, shifts, and standard deviations
-
- Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
-
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54095 0.00000 0.00478  1.00000 0.00000 0.00000
-
- ==> PROFILE PARAMETERS FOR PATTERN#  1
-
- => Overall scale factor       :      0.662019551     0.000000124     0.002023760
- => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
- => Overall temperature  factor:     0.000000    0.000000    0.000000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-         0.000000    0.000000    0.000000
-        29.642052   -0.000764    0.996371
-         5.079206    0.000018    0.487299
-
- => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
- => T.O.F. Isotropic Gaussian  Size  parameter (G-size)  ::      0.00000     0.00000     0.00000
- => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize)  ::      0.00000     0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz): 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Model-dependent Strain parameters s2,s1,s0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Direct cell parameters: 
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-
- => Preferred orientation parameters: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
-        0.000000    0.000000    0.000000
-        0.038018   -0.000000    0.000211
-        0.235384   -0.000004    0.005180
-        0.010902    0.000000    0.000206
-
- => Absorption parameters: 
-       0.000000  0.000000  0.000000
-       0.000000  0.000000  0.000000
-
- ==> GLOBAL PARAMETERS FOR PATTERN#  1
-
-
- => Zero-point:    -8.5721    0.0000    0.0888
- =>  Cosine Fourier Background Parameters ==>
-       154.32    -0.11019E-04 0.66899    
-       1.3400     0.44927E-05  1.1746    
-       37.000     0.84230E-05  1.0290    
-       12.332     0.66496E-05 0.94643    
-       17.706     0.18406E-05 0.92149    
-       4.7849    -0.10270E-04 0.76595    
-       6.8079    -0.55302E-05 0.53146    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):   7476.91      0.00      0.00
- => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.54      0.00      0.00
- => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00      0.00
-
- ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
-
- => R-Factors:   8.73      6.36     Chi2:  3.03     DW-Stat.:  0.9736   Patt#:  1
- => Expected :            3.66                                1.9228
- => Deviance : 0.322E+05     Dev*:   5.757    
- => GoF-index:  1.7         Sqrt(Residual/N)
- => N-P+C:  5584
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1290E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.15      3.028    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6424E+06    0.1092E+07
-
-
- ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
-
- => R-Factors:   5.93      5.83     Chi2:  4.41     DW-Stat.:  1.2001   Patt#:
- => Expected :            2.77                                1.8991
- => Deviance : 0.130E+05     Dev*:   4.174    
- => GoF-index:  2.1         Sqrt(Residual/N)
- => N-P+C:  3108
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.6424E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.34      4.413    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6343E+06    0.1089E+07
-
-
- => Global user-weigthed Chi2 (Bragg contrib.):   4.41    
-
- => ---------> Pattern#  1
- => Phase:  1
- =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  11.8    
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-
- => CYCLE No.:   10
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
- => New parameters, shifts, and standard deviations
-
- Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
-
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54095 0.00000 0.00478  1.00000 0.00000 0.00000
-
- ==> PROFILE PARAMETERS FOR PATTERN#  1
-
- => Overall scale factor       :      0.662019670     0.000000123     0.002023760
- => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
- => Overall temperature  factor:     0.000000    0.000000    0.000000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-         0.000000    0.000000    0.000000
-        29.641294   -0.000757    0.996362
-         5.079223    0.000018    0.487297
-
- => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
- => T.O.F. Isotropic Gaussian  Size  parameter (G-size)  ::      0.00000     0.00000     0.00000
- => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize)  ::      0.00000     0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz): 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Model-dependent Strain parameters s2,s1,s0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Direct cell parameters: 
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-
- => Preferred orientation parameters: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
-        0.000000    0.000000    0.000000
-        0.038018   -0.000000    0.000211
-        0.235380   -0.000004    0.005180
-        0.010903    0.000000    0.000206
-
- => Absorption parameters: 
-       0.000000  0.000000  0.000000
-       0.000000  0.000000  0.000000
-
- ==> GLOBAL PARAMETERS FOR PATTERN#  1
-
-
- => Zero-point:    -8.5721    0.0000    0.0888
- =>  Cosine Fourier Background Parameters ==>
-       154.32    -0.10915E-04 0.66899    
-       1.3400     0.48250E-05  1.1746    
-       37.000     0.81320E-05  1.0290    
-       12.332     0.68981E-05 0.94643    
-       17.706     0.15205E-05 0.92149    
-       4.7849    -0.10071E-04 0.76595    
-       6.8079    -0.55696E-05 0.53146    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):   7476.91      0.00      0.00
- => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.54      0.00      0.00
- => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00      0.00
-
- ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
-
- => R-Factors:   8.73      6.36     Chi2:  3.03     DW-Stat.:  0.9736   Patt#:  1
- => Expected :            3.66                                1.9228
- => Deviance : 0.322E+05     Dev*:   5.757    
- => GoF-index:  1.7         Sqrt(Residual/N)
- => N-P+C:  5584
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1290E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.15      3.028    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6424E+06    0.1092E+07
-
-
- ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
-
- => R-Factors:   5.93      5.83     Chi2:  4.41     DW-Stat.:  1.2001   Patt#:
- => Expected :            2.77                                1.8991
- => Deviance : 0.130E+05     Dev*:   4.174    
- => GoF-index:  2.1         Sqrt(Residual/N)
- => N-P+C:  3108
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.6424E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.34      4.413    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6343E+06    0.1089E+07
-
-
- => Global user-weigthed Chi2 (Bragg contrib.):   4.41    
-
- => ---------> Pattern#  1
- => Phase:  1
- =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  11.8    
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-
- => CYCLE No.:   11
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
- => New parameters, shifts, and standard deviations
-
- Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
-
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54096 0.00000 0.00478  1.00000 0.00000 0.00000
-
- ==> PROFILE PARAMETERS FOR PATTERN#  1
-
- => Overall scale factor       :      0.662019789     0.000000123     0.002023762
- => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
- => Overall temperature  factor:     0.000000    0.000000    0.000000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-         0.000000    0.000000    0.000000
-        29.640543   -0.000751    0.996345
-         5.079241    0.000018    0.487294
-
- => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
- => T.O.F. Isotropic Gaussian  Size  parameter (G-size)  ::      0.00000     0.00000     0.00000
- => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize)  ::      0.00000     0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz): 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Model-dependent Strain parameters s2,s1,s0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Direct cell parameters: 
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-
- => Preferred orientation parameters: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
-        0.000000    0.000000    0.000000
-        0.038018   -0.000000    0.000211
-        0.235376   -0.000004    0.005179
-        0.010903    0.000000    0.000206
-
- => Absorption parameters: 
-       0.000000  0.000000  0.000000
-       0.000000  0.000000  0.000000
-
- ==> GLOBAL PARAMETERS FOR PATTERN#  1
-
-
- => Zero-point:    -8.5721    0.0000    0.0888
- =>  Cosine Fourier Background Parameters ==>
-       154.32    -0.10731E-04 0.66899    
-       1.3401     0.48462E-05  1.1746    
-       37.000     0.82127E-05  1.0290    
-       12.332     0.68589E-05 0.94643    
-       17.706     0.14045E-05 0.92149    
-       4.7849    -0.99543E-05 0.76595    
-       6.8079    -0.55774E-05 0.53147    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):   7476.91      0.00      0.00
- => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.54      0.00      0.00
- => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00      0.00
-
- ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
-
- => R-Factors:   8.73      6.36     Chi2:  3.03     DW-Stat.:  0.9736   Patt#:  1
- => Expected :            3.66                                1.9228
- => Deviance : 0.322E+05     Dev*:   5.757    
- => GoF-index:  1.7         Sqrt(Residual/N)
- => N-P+C:  5584
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1290E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.15      3.028    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6424E+06    0.1092E+07
-
-
- ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
-
- => R-Factors:   5.93      5.83     Chi2:  4.41     DW-Stat.:  1.2001   Patt#:
- => Expected :            2.77                                1.8991
- => Deviance : 0.130E+05     Dev*:   4.174    
- => GoF-index:  2.1         Sqrt(Residual/N)
- => N-P+C:  3108
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.6424E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.34      4.413    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6343E+06    0.1089E+07
-
-
- => Global user-weigthed Chi2 (Bragg contrib.):   4.41    
-
- => ---------> Pattern#  1
- => Phase:  1
- =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  11.8    
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-
- => CYCLE No.:   12
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
- => New parameters, shifts, and standard deviations
-
- Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
-
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54096 0.00000 0.00478  1.00000 0.00000 0.00000
-
- ==> PROFILE PARAMETERS FOR PATTERN#  1
-
- => Overall scale factor       :      0.662019908     0.000000122     0.002023762
- => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
- => Overall temperature  factor:     0.000000    0.000000    0.000000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-         0.000000    0.000000    0.000000
-        29.639799   -0.000744    0.996333
-         5.079259    0.000018    0.487292
-
- => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
- => T.O.F. Isotropic Gaussian  Size  parameter (G-size)  ::      0.00000     0.00000     0.00000
- => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize)  ::      0.00000     0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz): 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Model-dependent Strain parameters s2,s1,s0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Direct cell parameters: 
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-
- => Preferred orientation parameters: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
-        0.000000    0.000000    0.000000
-        0.038017   -0.000000    0.000211
-        0.235372   -0.000004    0.005179
-        0.010903    0.000000    0.000206
-
- => Absorption parameters: 
-       0.000000  0.000000  0.000000
-       0.000000  0.000000  0.000000
-
- ==> GLOBAL PARAMETERS FOR PATTERN#  1
-
-
- => Zero-point:    -8.5721    0.0000    0.0888
- =>  Cosine Fourier Background Parameters ==>
-       154.32    -0.10399E-04 0.66899    
-       1.3401     0.43009E-05  1.1746    
-       37.000     0.87391E-05  1.0290    
-       12.332     0.64066E-05 0.94643    
-       17.706     0.17441E-05 0.92149    
-       4.7849    -0.10013E-04 0.76595    
-       6.8079    -0.54604E-05 0.53147    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):   7476.91      0.00      0.00
- => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.54      0.00      0.00
- => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00      0.00
-
- ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
-
- => R-Factors:   8.73      6.36     Chi2:  3.03     DW-Stat.:  0.9736   Patt#:  1
- => Expected :            3.66                                1.9228
- => Deviance : 0.322E+05     Dev*:   5.757    
- => GoF-index:  1.7         Sqrt(Residual/N)
- => N-P+C:  5584
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1290E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.15      3.028    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6424E+06    0.1092E+07
-
-
- ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
-
- => R-Factors:   5.93      5.83     Chi2:  4.41     DW-Stat.:  1.2001   Patt#:
- => Expected :            2.77                                1.8991
- => Deviance : 0.130E+05     Dev*:   4.174    
- => GoF-index:  2.1         Sqrt(Residual/N)
- => N-P+C:  3108
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.6424E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.34      4.413    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6343E+06    0.1089E+07
-
-
- => Global user-weigthed Chi2 (Bragg contrib.):   4.41    
-
- => ---------> Pattern#  1
- => Phase:  1
- =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  11.8    
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-
- => CYCLE No.:   13
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
- => New parameters, shifts, and standard deviations
-
- Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
-
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54096 0.00000 0.00478  1.00000 0.00000 0.00000
-
- ==> PROFILE PARAMETERS FOR PATTERN#  1
-
- => Overall scale factor       :      0.662020028     0.000000122     0.002023762
- => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
- => Overall temperature  factor:     0.000000    0.000000    0.000000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-         0.000000    0.000000    0.000000
-        29.639063   -0.000737    0.996316
-         5.079278    0.000018    0.487290
-
- => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
- => T.O.F. Isotropic Gaussian  Size  parameter (G-size)  ::      0.00000     0.00000     0.00000
- => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize)  ::      0.00000     0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz): 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Model-dependent Strain parameters s2,s1,s0: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => Direct cell parameters: 
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-       90.000000    0.000000    0.000000
-
- => Preferred orientation parameters: 
-         0.000000    0.000000    0.000000
-         0.000000    0.000000    0.000000
-
- => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
-        0.000000    0.000000    0.000000
-        0.038017   -0.000000    0.000211
-        0.235368   -0.000004    0.005179
-        0.010903    0.000000    0.000206
-
- => Absorption parameters: 
-       0.000000  0.000000  0.000000
-       0.000000  0.000000  0.000000
-
- ==> GLOBAL PARAMETERS FOR PATTERN#  1
-
-
- => Zero-point:    -8.5721    0.0000    0.0888
- =>  Cosine Fourier Background Parameters ==>
-       154.32    -0.10294E-04 0.66899    
-       1.3401     0.46410E-05  1.1746    
-       37.000     0.87300E-05  1.0290    
-       12.332     0.63069E-05 0.94643    
-       17.706     0.19583E-05 0.92149    
-       4.7849    -0.10063E-04 0.76595    
-       6.8079    -0.53428E-05 0.53147    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-       0.0000      0.0000      0.0000    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):   7476.91      0.00      0.00
- => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.54      0.00      0.00
- => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00      0.00
-
- ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
-
- => R-Factors:   8.73      6.36     Chi2:  3.03     DW-Stat.:  0.9736   Patt#:  1
- => Expected :            3.66                                1.9228
- => Deviance : 0.322E+05     Dev*:   5.757    
- => GoF-index:  1.7         Sqrt(Residual/N)
- => N-P+C:  5584
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1290E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.15      3.028    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6424E+06    0.1092E+07
-
-
- ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
-
- => R-Factors:   5.93      5.83     Chi2:  4.41     DW-Stat.:  1.2001   Patt#:
- => Expected :            2.77                                1.8991
- => Deviance : 0.130E+05     Dev*:   4.173    
- => GoF-index:  2.1         Sqrt(Residual/N)
- => N-P+C:  3108
-
- =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.6424E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05    0.7134E+14
-
-
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.34      4.413    
- => (Values obtained using Ynet, but true sigma(y))
- =>  SumYnet, Sum(w Ynet**2):     0.6343E+06    0.1089E+07
-
-
- => Global user-weigthed Chi2 (Bragg contrib.):   4.41    
-
- => ---------> Pattern#  1
- => Phase:  1
- =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  11.8    
-
-
-   Standard deviations have to be multiplied by: 2.6190
-   (correlated residuals) See references:
-  -J.F.Berar & P.Lelann, J. Appl. Cryst. 24, 1-5 (1991) 
-  -J.F.Berar, Acc. in Pow. Diff. II,NIST Sp.Pub. 846, 63(1992) 
-
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
-
- => CYCLE No.:   13
+ => CYCLE No.:    1
  =>  Convergence reached at this CYCLE !!!!
  =>  Parameter shifts set to zero
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: Standard-Si
+ ------------------------------------------------------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
 
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54096 0.00000 0.00478  1.00000 0.00000 0.00000
+ Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.54095 0.00000 0.00000  1.00000 0.00000 0.00000
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
- => Overall scale factor       :      0.662020028     0.000000000     0.002023762
+ => Overall scale factor       :      0.662005782     0.000000000     0.000000000
  => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
  => Overall temperature  factor:     0.000000    0.000000    0.000000
  => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
          0.000000    0.000000    0.000000
-        29.639063    0.000000    0.996316
-         5.079278    0.000000    0.487290
+        29.649200    0.000000    0.000000
+         5.079000    0.000000    0.000000
 
  => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
  => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
@@ -2257,9 +676,9 @@
          0.000000    0.000000    0.000000
 
  => Direct cell parameters: 
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
-        5.432381    0.000000    0.000083
+        5.432382    0.000000    0.000000
+        5.432382    0.000000    0.000000
+        5.432382    0.000000    0.000000
        90.000000    0.000000    0.000000
        90.000000    0.000000    0.000000
        90.000000    0.000000    0.000000
@@ -2270,9 +689,9 @@
 
  => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
         0.000000    0.000000    0.000000
-        0.038017    0.000000    0.000211
-        0.235368    0.000000    0.005179
-        0.010903    0.000000    0.000206
+        0.038020    0.000000    0.000000
+        0.235422    0.000000    0.000000
+        0.010902    0.000000    0.000000
 
  => Absorption parameters: 
        0.000000  0.000000  0.000000
@@ -2281,15 +700,15 @@
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:    -8.5721    0.0000    0.0888
+ => Zero-point:    -8.5673    0.0000    0.0000
  =>  Cosine Fourier Background Parameters ==>
-       154.32      0.0000     0.66899    
-       1.3401      0.0000      1.1746    
-       37.000      0.0000      1.0290    
-       12.332      0.0000     0.94643    
-       17.706      0.0000     0.92149    
-       4.7849      0.0000     0.76595    
-       6.8079      0.0000     0.53147    
+       154.32      0.0000      0.0000    
+       1.3400      0.0000      0.0000    
+       37.000      0.0000      0.0000    
+       12.332      0.0000      0.0000    
+       17.706      0.0000      0.0000    
+       4.7850      0.0000      0.0000    
+       6.8080      0.0000      0.0000    
        0.0000      0.0000      0.0000    
        0.0000      0.0000      0.0000    
        0.0000      0.0000      0.0000    
@@ -2308,345 +727,329 @@
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
- => R-Factors:   8.73      6.36     Chi2:  3.03     DW-Stat.:  0.9736   Patt#:  1
- => Expected :            3.66                                1.9228
- => Deviance : 0.322E+05     Dev*:   5.757    
+ => R-Factors:   8.73      6.36     Chi2:  3.02     DW-Stat.:  0.9734   Patt#:  1
+ => Expected :            3.66                                1.9171
+ => Deviance : 0.322E+05     Dev*:   5.740    
  => GoF-index:  1.7         Sqrt(Residual/N)
- => N-P+C:  5584
+ => N-P+C:  5600
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1290E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05    0.7134E+14
+     0.1289E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1691E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.15      3.028    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   20.1      12.4      7.16      3.019    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.6424E+06    0.1092E+07
 
- => N-sigma of the GoF:      107.162
+ => N-sigma of the GoF:      106.860
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => R-Factors:   5.93      5.83     Chi2:  4.41     DW-Stat.:  1.2001   Patt#:
- => Expected :            2.77                                1.8991
- => Deviance : 0.130E+05     Dev*:   4.173    
+ => R-Factors:   5.93      5.83     Chi2:  4.39     DW-Stat.:  1.2000   Patt#:
+ => Expected :            2.78                                1.8888
+ => Deviance : 0.130E+05     Dev*:   4.152    
  => GoF-index:  2.1         Sqrt(Residual/N)
- => N-P+C:  3108
+ => N-P+C:  3124
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.6424E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05    0.7134E+14
+     0.6418E+05    0.1083E+07    0.1069E+07    0.4042E+07    0.1372E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.34      4.413    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   10.1      11.2      5.36      4.391    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.6343E+06    0.1089E+07
 
- => N-sigma of the GoF:      134.554
+ => N-sigma of the GoF:      134.008
 
- => Global user-weigthed Chi2 (Bragg contrib.):   5.44    
+ => Global user-weigthed Chi2 (Bragg contrib.):   5.41    
 
  => ---------> Pattern#  1
  => Phase:  1
  =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  11.8    
+ =>    RF-factor     :  13.5    
 
- --------------------------------------------------------------------------------------------------------------
- Pattern#  1 Phase No.:   1 Phase name: Standard-Si                   
- --------------------------------------------------------------------------------------------------------------
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
+ Pattern#  1 Phase No.:   1 Phase name: Standard-Si
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-      1   1     14  14   4    24     6.329    2010.862       11.2        0.0      9.866   6.329   0.000   0.000  0.268943  0.875173  2.121982  1.000000
-      2   1     20   2   2    24     6.329    2010.862       11.2        0.0      9.866   6.329   0.000   0.000  0.268943  0.875173  2.121982  1.000000
-      3   1     14  12   8    48     6.338    2020.792        0.0        0.0      0.000   6.338   0.000   0.000  0.270271  0.870872  2.081319  1.000000
-      4   1     16  12   2    48     6.338    2020.792        0.0        0.0      0.000   6.338   0.000   0.000  0.270271  0.870872  2.081319  1.000000
-      5   1     18   8   4    48     6.338    2020.792        0.0        0.0      0.000   6.338   0.000   0.000  0.270271  0.870872  2.081319  1.000000
-      6   1     15  13   3    48     6.340    2023.298       12.8        0.0     21.383   6.340   0.000   0.000  0.270606  0.869794  2.071216  1.000000
-      7   1     16  12   0    24     6.348    2030.871       13.4        0.0     17.134   6.348   0.000   0.000  0.271619  0.866550  2.041058  1.000000
-      8   1     20   0   0     6     6.348    2030.871        3.3        0.0      4.284   6.348   0.000   0.000  0.271619  0.866550  2.041058  1.000000
-      9   1     18   6   6    24     6.357    2041.102        0.0        0.0      0.000   6.357   0.000   0.000  0.272987  0.862207  2.001199  1.000000
-     10   1     14  10  10    24     6.357    2041.102        0.0        0.0      0.000   6.357   0.000   0.000  0.272987  0.862207  2.001197  1.000000
-     11   1     14  14   2    24     6.357    2041.102        0.0        0.0      0.000   6.357   0.000   0.000  0.272987  0.862207  2.001197  1.000000
-     12   1     15  11   7    48     6.360    2043.684       14.4        0.0      5.649   6.360   0.000   0.000  0.273333  0.861117  1.991296  1.000000
-     13   1     15  13   1    48     6.360    2043.684       14.4        0.0      5.649   6.360   0.000   0.000  0.273333  0.861117  1.991296  1.000000
-     14   1     17   9   5    48     6.360    2043.684       14.4        0.0      5.649   6.360   0.000   0.000  0.273333  0.861117  1.991296  1.000000
-     15   1     19   5   3    48     6.360    2043.684       14.4        0.0      5.649   6.360   0.000   0.000  0.273333  0.861117  1.991296  1.000000
-     16   1     14  14   0    12     6.367    2051.490        7.5        4.1      2.458   6.367   0.000   0.000  0.274377  0.857841  1.961738  1.000000
-     17   1     16  10   6    48     6.367    2051.490       29.9       16.5      9.830   6.367   0.000   0.000  0.274377  0.857841  1.961738  1.000000
-     18   1     18   8   2    48     6.367    2051.490       29.9       16.5      9.830   6.367   0.000   0.000  0.274377  0.857841  1.961738  1.000000
-     19   1     12  12  10    24     6.377    2062.037        0.0        0.0      0.000   6.377   0.000   0.000  0.275787  0.853453  1.922679  1.000000
-     20   1     13  13   7    24     6.380    2064.700        8.1        2.9      4.678   6.380   0.000   0.000  0.276143  0.852352  1.912976  1.000000
-     21   1     15   9   9    24     6.380    2064.700        8.1        2.9      4.678   6.380   0.000   0.000  0.276143  0.852352  1.912976  1.000000
-     22   1     17   7   7    24     6.380    2064.700        8.1        2.9      4.678   6.380   0.000   0.000  0.276143  0.852352  1.912976  1.000000
-     23   1     19   5   1    48     6.380    2064.700       16.1        5.8      9.355   6.380   0.000   0.000  0.276143  0.852352  1.912976  1.000000
-     24   1     16   8   8    24     6.387    2072.749       16.8       23.5     19.492   6.387   0.000   0.000  0.277220  0.849042  1.884020  1.000000
-     25   1     17   9   3    48     6.400    2086.377       18.0        3.0     13.729   6.400   0.000   0.000  0.279043  0.843497  1.836260  1.000000
-     26   1     19   3   3    24     6.400    2086.377        9.0        1.5      6.864   6.400   0.000   0.000  0.279043  0.843497  1.836260  1.000000
-     27   1     14  12   6    48     6.408    2094.684       37.8       34.1     12.362   6.408   0.000   0.000  0.280154  0.840152  1.807904  1.000000
-     28   1     18   6   4    48     6.408    2094.684       37.8       34.1     12.362   6.408   0.000   0.000  0.280154  0.840152  1.807905  1.000000
-     29   1     16  10   4    48     6.419    2105.915        0.0        0.0      0.000   6.419   0.000   0.000  0.281656  0.835671  1.770448  1.000000
-     30   1     13  11   9    48     6.422    2108.752       20.3       41.5      8.051   6.422   0.000   0.000  0.282035  0.834547  1.761146  1.000000
-     31   1     15  11   5    48     6.422    2108.752       20.3       41.5      8.051   6.422   0.000   0.000  0.282035  0.834547  1.761146  1.000000
-     32   1     17   9   1    48     6.422    2108.752       20.3       41.5      8.051   6.422   0.000   0.000  0.282035  0.834547  1.761146  1.000000
-     33   1     19   3   1    48     6.422    2108.752       20.3       41.5      8.051   6.422   0.000   0.000  0.282035  0.834547  1.761146  1.000000
-     34   1     18   6   2    48     6.441    2128.931        0.0        0.0      0.000   6.441   0.000   0.000  0.284734  0.826636  1.696736  1.000000
-     35   1     11  11  11     8     6.444    2131.862        3.8        4.2      2.100   6.444   0.000   0.000  0.285126  0.825500  1.687634  1.000000
-     36   1     13  13   5    24     6.444    2131.862       11.4       12.6      6.299   6.444   0.000   0.000  0.285126  0.825500  1.687634  1.000000
-     37   1     17   7   5    48     6.444    2131.862       22.8       25.2     12.599   6.444   0.000   0.000  0.285126  0.825500  1.687634  1.000000
-     38   1     19   1   1    24     6.444    2131.862       11.4       12.6      6.299   6.444   0.000   0.000  0.285126  0.825500  1.687634  1.000000
-     39   1     18   6   0    24     6.453    2140.726       23.8       39.3      5.044   6.453   0.000   0.000  0.286312  0.822082  1.660481  1.000000
-     40   1     14  10   8    48     6.453    2140.726       47.6       78.6     10.088   6.453   0.000   0.000  0.286312  0.822082  1.660480  1.000000
-     41   1     16  10   2    48     6.453    2140.726       47.6       78.6     10.088   6.453   0.000   0.000  0.286312  0.822082  1.660480  1.000000
-     42   1     18   4   4    24     6.465    2152.719        0.0        0.0      0.000   6.465   0.000   0.000  0.287916  0.817502  1.624627  1.000000
-     43   1     14  12   4    48     6.465    2152.719        0.0        0.0      0.000   6.465   0.000   0.000  0.287916  0.817502  1.624626  1.000000
-     44   1     16   8   6    48     6.465    2152.719        0.0        0.0      0.000   6.465   0.000   0.000  0.287916  0.817502  1.624625  1.000000
-     45   1     15   9   7    48     6.467    2155.749       25.6       56.2     12.880   6.467   0.000   0.000  0.288321  0.816353  1.615725  1.000000
-     46   1     15  11   3    48     6.467    2155.749       25.6       56.2     12.880   6.467   0.000   0.000  0.288321  0.816353  1.615725  1.000000
-     47   1     12  12   8    24     6.476    2164.916       26.8       63.5     23.505   6.476   0.000   0.000  0.289547  0.812896  1.589172  1.000000
-     48   1     13  13   3    24     6.492    2180.458       14.4       16.7      5.099   6.492   0.000   0.000  0.291625  0.807102  1.545418  1.000000
-     49   1     15  11   1    48     6.492    2180.458       28.9       33.4     10.198   6.492   0.000   0.000  0.291625  0.807102  1.545418  1.000000
-     50   1     17   7   3    48     6.492    2180.458       28.9       33.4     10.198   6.492   0.000   0.000  0.291625  0.807102  1.545418  1.000000
-     51   1     18   4   2    48     6.501    2189.945       60.5       74.6     10.376   6.501   0.000   0.000  0.292894  0.803606  1.519467  1.000000
-     52   1     12  10  10    24     6.501    2189.945       30.2       37.3      5.188   6.501   0.000   0.000  0.292894  0.803606  1.519466  1.000000
-     53   1     14  12   2    48     6.501    2189.945       60.5       74.6     10.377   6.501   0.000   0.000  0.292894  0.803606  1.519466  1.000000
-     54   1     13  13   1    24     6.517    2206.036       16.3       21.4      4.559   6.517   0.000   0.000  0.295046  0.797744  1.476714  1.000000
-     55   1     17   5   5    24     6.517    2206.036       16.3       21.4      4.559   6.517   0.000   0.000  0.295046  0.797744  1.476714  1.000000
-     56   1     17   7   1    48     6.517    2206.036       32.5       42.8      9.118   6.517   0.000   0.000  0.295046  0.797744  1.476714  1.000000
-     57   1     13  11   7    48     6.517    2206.036       32.5       42.8      9.118   6.517   0.000   0.000  0.295046  0.797744  1.476714  1.000000
-     58   1     16   8   4    48     6.527    2215.862       68.1       78.5     25.079   6.527   0.000   0.000  0.296361  0.794206  1.451363  1.000000
-     59   1     18   2   2    24     6.540    2229.171        0.0        0.0      0.000   6.540   0.000   0.000  0.298141  0.789465  1.417913  1.000000
-     60   1     14  10   6    48     6.540    2229.171        0.0        0.0      0.000   6.540   0.000   0.000  0.298141  0.789465  1.417913  1.000000
+      1   1     14  14   4    24     6.329    2010.863       11.2        0.0      9.865   6.329   0.000   0.000  0.268943  0.875360  2.121864  1.000000
+      2   1     20   2   2    24     6.329    2010.863       11.2        0.0      9.865   6.329   0.000   0.000  0.268943  0.875360  2.121864  1.000000
+      3   1     16  12   2    48     6.338    2020.793        0.0        0.0      0.000   6.338   0.000   0.000  0.270271  0.871059  2.081204  1.000000
+      4   1     18   8   4    48     6.338    2020.793        0.0        0.0      0.000   6.338   0.000   0.000  0.270271  0.871059  2.081204  1.000000
+      5   1     14  12   8    48     6.338    2020.793        0.0        0.0      0.000   6.338   0.000   0.000  0.270271  0.871059  2.081204  1.000000
+      6   1     15  13   3    48     6.341    2023.298       12.8        0.0     21.384   6.341   0.000   0.000  0.270606  0.869980  2.071103  1.000000
+      7   1     16  12   0    24     6.348    2030.871       13.4        0.0     17.134   6.348   0.000   0.000  0.271619  0.866736  2.040947  1.000000
+      8   1     20   0   0     6     6.348    2030.871        3.3        0.0      4.283   6.348   0.000   0.000  0.271619  0.866736  2.040947  1.000000
+      9   1     14  14   2    24     6.357    2041.103        0.0        0.0      0.000   6.357   0.000   0.000  0.272987  0.862391  2.001088  1.000000
+     10   1     14  10  10    24     6.357    2041.103        0.0        0.0      0.000   6.357   0.000   0.000  0.272987  0.862391  2.001088  1.000000
+     11   1     18   6   6    24     6.357    2041.103        0.0        0.0      0.000   6.357   0.000   0.000  0.272987  0.862391  2.001088  1.000000
+     12   1     15  11   7    48     6.360    2043.685       14.4        0.0      5.650   6.360   0.000   0.000  0.273333  0.861302  1.991186  1.000000
+     13   1     15  13   1    48     6.360    2043.685       14.4        0.0      5.650   6.360   0.000   0.000  0.273333  0.861302  1.991186  1.000000
+     14   1     17   9   5    48     6.360    2043.685       14.4        0.0      5.650   6.360   0.000   0.000  0.273333  0.861302  1.991186  1.000000
+     15   1     19   5   3    48     6.360    2043.685       14.4        0.0      5.650   6.360   0.000   0.000  0.273333  0.861302  1.991186  1.000000
+     16   1     14  14   0    12     6.367    2051.490        7.5        4.1      2.457   6.367   0.000   0.000  0.274377  0.858025  1.961631  1.000000
+     17   1     16  10   6    48     6.367    2051.490       29.9       16.5      9.828   6.367   0.000   0.000  0.274377  0.858025  1.961631  1.000000
+     18   1     18   8   2    48     6.367    2051.490       29.9       16.5      9.828   6.367   0.000   0.000  0.274377  0.858025  1.961631  1.000000
+     19   1     12  12  10    24     6.377    2062.038        0.0        0.0      0.000   6.377   0.000   0.000  0.275787  0.853636  1.922573  1.000000
+     20   1     13  13   7    24     6.380    2064.700        8.1        2.9      4.677   6.380   0.000   0.000  0.276143  0.852535  1.912872  1.000000
+     21   1     15   9   9    24     6.380    2064.700        8.1        2.9      4.677   6.380   0.000   0.000  0.276143  0.852535  1.912872  1.000000
+     22   1     17   7   7    24     6.380    2064.700        8.1        2.9      4.677   6.380   0.000   0.000  0.276143  0.852535  1.912872  1.000000
+     23   1     19   5   1    48     6.380    2064.700       16.1        5.8      9.354   6.380   0.000   0.000  0.276143  0.852535  1.912872  1.000000
+     24   1     16   8   8    24     6.387    2072.750       16.8       23.4     19.496   6.387   0.000   0.000  0.277220  0.849224  1.883917  1.000000
+     25   1     17   9   3    48     6.400    2086.377       18.0        3.0     13.725   6.400   0.000   0.000  0.279043  0.843677  1.836159  1.000000
+     26   1     19   3   3    24     6.400    2086.377        9.0        1.5      6.863   6.400   0.000   0.000  0.279043  0.843677  1.836159  1.000000
+     27   1     18   6   4    48     6.408    2094.684       37.8       34.1     12.360   6.408   0.000   0.000  0.280154  0.840332  1.807806  1.000000
+     28   1     14  12   6    48     6.408    2094.684       37.8       34.1     12.360   6.408   0.000   0.000  0.280154  0.840331  1.807806  1.000000
+     29   1     16  10   4    48     6.419    2105.916        0.0        0.0      0.000   6.419   0.000   0.000  0.281656  0.835850  1.770351  1.000000
+     30   1     13  11   9    48     6.422    2108.752       20.3       41.5      8.054   6.422   0.000   0.000  0.282035  0.834725  1.761050  1.000000
+     31   1     15  11   5    48     6.422    2108.752       20.3       41.5      8.054   6.422   0.000   0.000  0.282035  0.834725  1.761050  1.000000
+     32   1     17   9   1    48     6.422    2108.752       20.3       41.5      8.054   6.422   0.000   0.000  0.282035  0.834725  1.761050  1.000000
+     33   1     19   3   1    48     6.422    2108.752       20.3       41.5      8.054   6.422   0.000   0.000  0.282035  0.834725  1.761050  1.000000
+     34   1     18   6   2    48     6.442    2128.932        0.0        0.0      0.000   6.442   0.000   0.000  0.284734  0.826813  1.696644  1.000000
+     35   1     11  11  11     8     6.444    2131.862        3.8        4.2      2.100   6.444   0.000   0.000  0.285126  0.825677  1.687542  1.000000
+     36   1     13  13   5    24     6.444    2131.862       11.4       12.6      6.300   6.444   0.000   0.000  0.285126  0.825677  1.687542  1.000000
+     37   1     17   7   5    48     6.444    2131.862       22.8       25.2     12.599   6.444   0.000   0.000  0.285126  0.825677  1.687542  1.000000
+     38   1     19   1   1    24     6.444    2131.862       11.4       12.6      6.300   6.444   0.000   0.000  0.285126  0.825677  1.687542  1.000000
+     39   1     14  10   8    48     6.453    2140.727       47.6       78.5     10.088   6.453   0.000   0.000  0.286312  0.822258  1.660391  1.000000
+     40   1     16  10   2    48     6.453    2140.727       47.6       78.5     10.088   6.453   0.000   0.000  0.286312  0.822258  1.660391  1.000000
+     41   1     18   6   0    24     6.453    2140.727       23.8       39.3      5.044   6.453   0.000   0.000  0.286312  0.822258  1.660391  1.000000
+     42   1     18   4   4    24     6.465    2152.720        0.0        0.0      0.000   6.465   0.000   0.000  0.287916  0.817677  1.624538  1.000000
+     43   1     14  12   4    48     6.465    2152.720        0.0        0.0      0.000   6.465   0.000   0.000  0.287916  0.817677  1.624538  1.000000
+     44   1     16   8   6    48     6.465    2152.720        0.0        0.0      0.000   6.465   0.000   0.000  0.287916  0.817677  1.624538  1.000000
+     45   1     15   9   7    48     6.468    2155.749       25.6       56.2     12.877   6.468   0.000   0.000  0.288321  0.816528  1.615638  1.000000
+     46   1     15  11   3    48     6.468    2155.750       25.6       56.2     12.876   6.468   0.000   0.000  0.288321  0.816528  1.615637  1.000000
+     47   1     12  12   8    24     6.477    2164.917       26.8       63.4     23.503   6.477   0.000   0.000  0.289547  0.813070  1.589086  1.000000
+     48   1     13  13   3    24     6.492    2180.458       14.4       16.7      5.100   6.492   0.000   0.000  0.291626  0.807275  1.545335  1.000000
+     49   1     17   7   3    48     6.492    2180.458       28.9       33.5     10.201   6.492   0.000   0.000  0.291626  0.807275  1.545335  1.000000
+     50   1     15  11   1    48     6.492    2180.458       28.9       33.5     10.201   6.492   0.000   0.000  0.291626  0.807275  1.545335  1.000000
+     51   1     18   4   2    48     6.501    2189.945       60.5       74.6     10.374   6.501   0.000   0.000  0.292894  0.803778  1.519385  1.000000
+     52   1     12  10  10    24     6.501    2189.945       30.2       37.3      5.187   6.501   0.000   0.000  0.292894  0.803778  1.519385  1.000000
+     53   1     14  12   2    48     6.501    2189.945       60.5       74.6     10.374   6.501   0.000   0.000  0.292894  0.803778  1.519385  1.000000
+     54   1     13  11   7    48     6.517    2206.036       32.5       42.8      9.117   6.517   0.000   0.000  0.295046  0.797915  1.476634  1.000000
+     55   1     13  13   1    24     6.517    2206.036       16.3       21.4      4.558   6.517   0.000   0.000  0.295046  0.797915  1.476634  1.000000
+     56   1     17   5   5    24     6.517    2206.036       16.3       21.4      4.558   6.517   0.000   0.000  0.295046  0.797915  1.476634  1.000000
+     57   1     17   7   1    48     6.517    2206.036       32.5       42.8      9.117   6.517   0.000   0.000  0.295046  0.797915  1.476634  1.000000
+     58   1     16   8   4    48     6.527    2215.863       68.1       78.5     25.086   6.527   0.000   0.000  0.296361  0.794376  1.451285  1.000000
+     59   1     14  10   6    48     6.540    2229.171        0.0        0.0      0.000   6.540   0.000   0.000  0.298141  0.789634  1.417836  1.000000
+     60   1     18   2   2    24     6.540    2229.171        0.0        0.0      0.000   6.540   0.000   0.000  0.298141  0.789634  1.417836  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-     61   1     13   9   9    24     6.544    2232.536       18.4       12.6      8.558   6.544   0.000   0.000  0.298591  0.788275  1.409612  1.000000
-     62   1     15   9   5    48     6.544    2232.536       36.8       25.3     17.115   6.544   0.000   0.000  0.298591  0.788275  1.409612  1.000000
-     63   1     18   2   0    24     6.554    2242.722       38.5       11.1     13.906   6.554   0.000   0.000  0.299953  0.784695  1.384863  1.000000
-     64   1     16   6   6    24     6.554    2242.722       38.5       11.1     13.906   6.554   0.000   0.000  0.299953  0.784695  1.384863  1.000000
-     65   1     12  12   6    24     6.568    2256.523        0.0        0.0      0.000   6.568   0.000   0.000  0.301799  0.779895  1.352212  1.000000
-     66   1     14   8   8    24     6.568    2256.523        0.0        0.0      0.000   6.568   0.000   0.000  0.301799  0.779895  1.352212  1.000000
-     67   1     16   8   2    48     6.568    2256.523        0.0        0.0      0.000   6.568   0.000   0.000  0.301799  0.779895  1.352212  1.000000
-     68   1     11  11   9    24     6.571    2260.014       20.8        0.0      7.032   6.571   0.000   0.000  0.302266  0.778691  1.344113  1.000000
-     69   1     15   7   7    24     6.571    2260.014       20.8        0.0      7.032   6.571   0.000   0.000  0.302266  0.778691  1.344113  1.000000
-     70   1     17   5   3    48     6.571    2260.014       41.6        0.0     14.064   6.571   0.000   0.000  0.302266  0.778691  1.344113  1.000000
-     71   1     16   8   0    24     6.582    2270.583       43.5        7.6     24.549   6.582   0.000   0.000  0.303679  0.775066  1.319964  1.000000
-     72   1     17   5   1    48     6.600    2288.532       47.1       26.9      9.674   6.600   0.000   0.000  0.306080  0.768987  1.280216  1.000000
-     73   1     13  11   5    48     6.600    2288.532       47.1       26.9      9.674   6.600   0.000   0.000  0.306080  0.768987  1.280216  1.000000
-     74   1     15   9   3    48     6.600    2288.533       47.1       26.9      9.673   6.600   0.000   0.000  0.306080  0.768987  1.280215  1.000000
-     75   1     14  10   4    48     6.611    2299.509       98.6      110.9     26.500   6.611   0.000   0.000  0.307548  0.765316  1.256667  1.000000
-     76   1     12  10   8    48     6.627    2314.393        0.0        0.0      0.000   6.627   0.000   0.000  0.309539  0.760395  1.225620  1.000000
-     77   1     16   6   4    48     6.627    2314.393        0.0        0.0      0.000   6.627   0.000   0.000  0.309539  0.760395  1.225620  1.000000
-     78   1     15   9   1    48     6.631    2318.159       53.3       63.0     19.109   6.631   0.000   0.000  0.310042  0.759159  1.217921  1.000000
-     79   1     17   3   3    24     6.631    2318.159       26.7       31.5      9.555   6.631   0.000   0.000  0.310042  0.759159  1.217921  1.000000
-     80   1     12  12   4    24     6.642    2329.569       55.9      104.4     26.319   6.642   0.000   0.000  0.311568  0.755441  1.194974  1.000000
-     81   1     10  10  10     8     6.658    2345.048        0.0        0.0      0.000   6.658   0.000   0.000  0.313639  0.750454  1.164728  1.000000
-     82   1     14  10   2    48     6.658    2345.048        0.0        0.0      0.000   6.658   0.000   0.000  0.313639  0.750454  1.164728  1.000000
-     83   1     13   9   7    48     6.662    2348.966       60.5       82.5      7.900   6.662   0.000   0.000  0.314163  0.749203  1.157229  1.000000
-     84   1     13  11   3    48     6.662    2348.966       60.5       82.5      7.900   6.662   0.000   0.000  0.314163  0.749203  1.157229  1.000000
-     85   1     15   7   5    48     6.662    2348.966       60.5       82.5      7.900   6.662   0.000   0.000  0.314163  0.749203  1.157229  1.000000
-     86   1     17   3   1    48     6.662    2348.966       60.5       82.5      7.900   6.662   0.000   0.000  0.314163  0.749203  1.157229  1.000000
-     87   1     14   8   6    48     6.675    2360.840      126.6      235.2     12.907   6.675   0.000   0.000  0.315751  0.745435  1.134883  1.000000
-     88   1     14  10   0    24     6.675    2360.840       63.3      117.6      6.454   6.675   0.000   0.000  0.315751  0.745435  1.134883  1.000000
-     89   1     16   6   2    48     6.675    2360.840      126.6      235.2     12.907   6.675   0.000   0.000  0.315751  0.745435  1.134883  1.000000
-     90   1     12  12   2    24     6.691    2376.955        0.0        0.0      0.000   6.691   0.000   0.000  0.317906  0.740381  1.105438  1.000000
-     91   1     11  11   7    24     6.696    2381.036       34.3       75.1      7.715   6.696   0.000   0.000  0.318452  0.739112  1.098139  1.000000
-     92   1     13  11   1    48     6.696    2381.036       68.6      150.2     15.430   6.696   0.000   0.000  0.318452  0.739112  1.098139  1.000000
-     93   1     17   1   1    24     6.696    2381.036       34.3       75.1      7.715   6.696   0.000   0.000  0.318452  0.739112  1.098139  1.000000
-     94   1     12  12   0    12     6.709    2393.405       36.1       72.5     10.127   6.709   0.000   0.000  0.320106  0.735292  1.076394  1.000000
-     95   1     16   4   4    24     6.709    2393.405       72.1      144.9     20.253   6.709   0.000   0.000  0.320106  0.735292  1.076394  1.000000
-     96   1     11   9   9    24     6.731    2414.455       39.1       65.1     10.673   6.731   0.000   0.000  0.322922  0.728882  1.040652  1.000000
-     97   1     15   7   3    48     6.731    2414.455       78.2      130.2     21.346   6.731   0.000   0.000  0.322922  0.728881  1.040652  1.000000
-     98   1     12  10   6    48     6.744    2427.355      164.0      306.2     31.441   6.744   0.000   0.000  0.324647  0.725008  1.019507  1.000000
-     99   1     14   8   4    48     6.763    2444.882        0.0        0.0      0.000   6.763   0.000   0.000  0.326991  0.719811  0.991665  1.000000
-    100   1     16   4   2    48     6.763    2444.882        0.0        0.0      0.000   6.763   0.000   0.000  0.326991  0.719811  0.991665  1.000000
-    101   1     13   9   5    48     6.768    2449.323       89.1      118.9     13.769   6.768   0.000   0.000  0.327585  0.718505  0.984767  1.000000
-    102   1     15   5   5    24     6.768    2449.323       44.5       59.5      6.884   6.768   0.000   0.000  0.327585  0.718505  0.984767  1.000000
-    103   1     15   7   1    48     6.768    2449.323       89.1      118.9     13.768   6.768   0.000   0.000  0.327585  0.718505  0.984767  1.000000
-    104   1     12   8   8    24     6.782    2462.793       93.5      170.4     16.528   6.782   0.000   0.000  0.329386  0.714576  0.964224  1.000000
-    105   1     16   4   0    24     6.782    2462.793       93.5      170.4     16.528   6.782   0.000   0.000  0.329386  0.714576  0.964224  1.000000
-    106   1     14   6   6    24     6.802    2481.104        0.0        0.0      0.000   6.802   0.000   0.000  0.331835  0.709302  0.937183  1.000000
-    107   1     11  11   5    24     6.807    2485.746       50.8       91.0     15.742   6.807   0.000   0.000  0.332456  0.707977  0.930485  1.000000
-    108   1     13   7   7    24     6.807    2485.746       50.8       91.0     15.742   6.807   0.000   0.000  0.332456  0.707977  0.930485  1.000000
-    109   1     10  10   8    24     6.822    2499.830      106.9      141.3      9.254   6.822   0.000   0.000  0.334340  0.703989  0.910542  1.000000
-    110   1     14   8   2    48     6.822    2499.830      213.7      282.7     18.509   6.822   0.000   0.000  0.334340  0.703989  0.910542  1.000000
-    111   1     16   2   2    24     6.822    2499.830      106.9      141.3      9.254   6.822   0.000   0.000  0.334340  0.703989  0.910542  1.000000
-    112   1     12  10   4    48     6.843    2518.986        0.0        0.0      0.000   6.843   0.000   0.000  0.336902  0.698635  0.884302  1.000000
-    113   1     13   9   3    48     6.848    2523.844      116.3      179.8     18.300   6.848   0.000   0.000  0.337552  0.697290  0.877805  1.000000
-    114   1     15   5   3    48     6.848    2523.844      116.3      179.8     18.300   6.848   0.000   0.000  0.337552  0.697290  0.877805  1.000000
-    115   1     16   0   0     6     6.864    2538.589       30.6       77.4     30.171   6.864   0.000   0.000  0.339524  0.693240  0.858463  1.000000
-    116   1     11   9   7    48     6.891    2563.749      133.2      150.4     10.970   6.891   0.000   0.000  0.342889  0.686437  0.826727  1.000000
-    117   1     11  11   3    24     6.891    2563.749       66.6       75.2      5.485   6.891   0.000   0.000  0.342889  0.686437  0.826727  1.000000
-    118   1     13   9   1    48     6.891    2563.749      133.2      150.4     10.970   6.891   0.000   0.000  0.342889  0.686437  0.826727  1.000000
-    119   1     15   5   1    48     6.891    2563.749      133.2      150.4     10.970   6.891   0.000   0.000  0.342889  0.686437  0.826727  1.000000
-    120   1     12  10   2    48     6.908    2579.209      280.5      400.5     19.355   6.908   0.000   0.000  0.344957  0.682322  0.807986  1.000000
+     61   1     13   9   9    24     6.544    2232.536       18.4       12.6      8.554   6.544   0.000   0.000  0.298591  0.788444  1.409536  1.000000
+     62   1     15   9   5    48     6.544    2232.536       36.8       25.3     17.109   6.544   0.000   0.000  0.298591  0.788444  1.409536  1.000000
+     63   1     16   6   6    24     6.554    2242.722       38.5       11.1     13.906   6.554   0.000   0.000  0.299953  0.784863  1.384788  1.000000
+     64   1     18   2   0    24     6.554    2242.722       38.5       11.1     13.906   6.554   0.000   0.000  0.299953  0.784863  1.384788  1.000000
+     65   1     12  12   6    24     6.568    2256.524        0.0        0.0      0.000   6.568   0.000   0.000  0.301799  0.780062  1.352140  1.000000
+     66   1     14   8   8    24     6.568    2256.524        0.0        0.0      0.000   6.568   0.000   0.000  0.301799  0.780062  1.352140  1.000000
+     67   1     16   8   2    48     6.568    2256.524        0.0        0.0      0.000   6.568   0.000   0.000  0.301799  0.780062  1.352140  1.000000
+     68   1     15   7   7    24     6.572    2260.014       20.8        0.0      7.033   6.572   0.000   0.000  0.302266  0.778857  1.344041  1.000000
+     69   1     11  11   9    24     6.572    2260.014       20.8        0.0      7.033   6.572   0.000   0.000  0.302266  0.778857  1.344040  1.000000
+     70   1     17   5   3    48     6.572    2260.014       41.6        0.0     14.066   6.572   0.000   0.000  0.302266  0.778857  1.344040  1.000000
+     71   1     16   8   0    24     6.582    2270.583       43.5        7.7     24.551   6.582   0.000   0.000  0.303679  0.775232  1.319893  1.000000
+     72   1     15   9   3    48     6.601    2288.533       47.1       26.9      9.672   6.601   0.000   0.000  0.306080  0.769152  1.280147  1.000000
+     73   1     13  11   5    48     6.601    2288.533       47.1       26.9      9.672   6.601   0.000   0.000  0.306080  0.769152  1.280147  1.000000
+     74   1     17   5   1    48     6.601    2288.533       47.1       26.9      9.672   6.601   0.000   0.000  0.306080  0.769152  1.280147  1.000000
+     75   1     14  10   4    48     6.612    2299.509       98.6      110.9     26.498   6.612   0.000   0.000  0.307548  0.765480  1.256601  1.000000
+     76   1     12  10   8    48     6.627    2314.393        0.0        0.0      0.000   6.627   0.000   0.000  0.309539  0.760558  1.225555  1.000000
+     77   1     16   6   4    48     6.627    2314.393        0.0        0.0      0.000   6.627   0.000   0.000  0.309539  0.760558  1.225555  1.000000
+     78   1     15   9   1    48     6.631    2318.159       53.3       63.0     19.106   6.631   0.000   0.000  0.310042  0.759322  1.217856  1.000000
+     79   1     17   3   3    24     6.631    2318.159       26.7       31.5      9.553   6.631   0.000   0.000  0.310042  0.759322  1.217856  1.000000
+     80   1     12  12   4    24     6.643    2329.569       55.9      104.3     26.312   6.643   0.000   0.000  0.311568  0.755603  1.194910  1.000000
+     81   1     10  10  10     8     6.659    2345.049        0.0        0.0      0.000   6.659   0.000   0.000  0.313639  0.750615  1.164666  1.000000
+     82   1     14  10   2    48     6.659    2345.049        0.0        0.0      0.000   6.659   0.000   0.000  0.313639  0.750615  1.164666  1.000000
+     83   1     13   9   7    48     6.663    2348.967       60.5       82.6      7.901   6.663   0.000   0.000  0.314163  0.749363  1.157168  1.000000
+     84   1     13  11   3    48     6.663    2348.967       60.5       82.6      7.901   6.663   0.000   0.000  0.314163  0.749363  1.157168  1.000000
+     85   1     15   7   5    48     6.663    2348.967       60.5       82.6      7.901   6.663   0.000   0.000  0.314163  0.749363  1.157168  1.000000
+     86   1     17   3   1    48     6.663    2348.967       60.5       82.6      7.901   6.663   0.000   0.000  0.314163  0.749363  1.157168  1.000000
+     87   1     14   8   6    48     6.675    2360.840      126.6      235.2     12.907   6.675   0.000   0.000  0.315751  0.745594  1.134823  1.000000
+     88   1     14  10   0    24     6.675    2360.840       63.3      117.6      6.453   6.675   0.000   0.000  0.315751  0.745594  1.134823  1.000000
+     89   1     16   6   2    48     6.675    2360.840      126.6      235.2     12.907   6.675   0.000   0.000  0.315751  0.745594  1.134823  1.000000
+     90   1     12  12   2    24     6.692    2376.955        0.0        0.0      0.000   6.692   0.000   0.000  0.317906  0.740539  1.105380  1.000000
+     91   1     11  11   7    24     6.696    2381.036       34.3       75.1      7.715   6.696   0.000   0.000  0.318452  0.739270  1.098081  1.000000
+     92   1     13  11   1    48     6.696    2381.036       68.6      150.2     15.431   6.696   0.000   0.000  0.318452  0.739270  1.098081  1.000000
+     93   1     17   1   1    24     6.696    2381.036       34.3       75.1      7.715   6.696   0.000   0.000  0.318452  0.739270  1.098081  1.000000
+     94   1     16   4   4    24     6.709    2393.405       72.1      144.9     20.252   6.709   0.000   0.000  0.320106  0.735450  1.076338  1.000000
+     95   1     12  12   0    12     6.709    2393.405       36.1       72.5     10.127   6.709   0.000   0.000  0.320106  0.735450  1.076337  1.000000
+     96   1     15   7   3    48     6.731    2414.456       78.2      130.3     21.343   6.731   0.000   0.000  0.322922  0.729038  1.040597  1.000000
+     97   1     11   9   9    24     6.731    2414.456       39.1       65.1     10.671   6.731   0.000   0.000  0.322922  0.729038  1.040597  1.000000
+     98   1     12  10   6    48     6.745    2427.356      164.0      306.2     31.440   6.745   0.000   0.000  0.324647  0.725163  1.019454  1.000000
+     99   1     14   8   4    48     6.763    2444.882        0.0        0.0      0.000   6.763   0.000   0.000  0.326991  0.719965  0.991613  1.000000
+    100   1     16   4   2    48     6.763    2444.882        0.0        0.0      0.000   6.763   0.000   0.000  0.326991  0.719965  0.991613  1.000000
+    101   1     15   7   1    48     6.768    2449.323       89.1      118.9     13.768   6.768   0.000   0.000  0.327585  0.718659  0.984716  1.000000
+    102   1     13   9   5    48     6.768    2449.323       89.1      118.9     13.768   6.768   0.000   0.000  0.327585  0.718659  0.984716  1.000000
+    103   1     15   5   5    24     6.768    2449.323       44.5       59.5      6.884   6.768   0.000   0.000  0.327585  0.718659  0.984716  1.000000
+    104   1     16   4   0    24     6.782    2462.793       93.5      170.4     16.533   6.782   0.000   0.000  0.329387  0.714729  0.964173  1.000000
+    105   1     12   8   8    24     6.782    2462.794       93.5      170.4     16.534   6.782   0.000   0.000  0.329387  0.714729  0.964173  1.000000
+    106   1     14   6   6    24     6.802    2481.104        0.0        0.0      0.000   6.802   0.000   0.000  0.331836  0.709454  0.937134  1.000000
+    107   1     13   7   7    24     6.807    2485.746       50.8       91.0     15.739   6.807   0.000   0.000  0.332456  0.708129  0.930437  1.000000
+    108   1     11  11   5    24     6.807    2485.747       50.8       91.0     15.739   6.807   0.000   0.000  0.332456  0.708129  0.930436  1.000000
+    109   1     10  10   8    24     6.822    2499.830      106.9      141.3      9.254   6.822   0.000   0.000  0.334340  0.704139  0.910495  1.000000
+    110   1     14   8   2    48     6.822    2499.830      213.7      282.7     18.508   6.822   0.000   0.000  0.334340  0.704139  0.910495  1.000000
+    111   1     16   2   2    24     6.822    2499.830      106.9      141.3      9.254   6.822   0.000   0.000  0.334340  0.704139  0.910495  1.000000
+    112   1     12  10   4    48     6.843    2518.986        0.0        0.0      0.000   6.843   0.000   0.000  0.336902  0.698785  0.884256  1.000000
+    113   1     13   9   3    48     6.848    2523.844      116.3      179.8     18.300   6.848   0.000   0.000  0.337552  0.697440  0.877760  1.000000
+    114   1     15   5   3    48     6.848    2523.844      116.3      179.8     18.300   6.848   0.000   0.000  0.337552  0.697440  0.877760  1.000000
+    115   1     16   0   0     6     6.864    2538.590       30.6       77.4     30.173   6.864   0.000   0.000  0.339524  0.693389  0.858419  1.000000
+    116   1     11   9   7    48     6.892    2563.750      133.2      150.4     10.968   6.892   0.000   0.000  0.342889  0.686584  0.826685  1.000000
+    117   1     11  11   3    24     6.892    2563.750       66.6       75.2      5.484   6.892   0.000   0.000  0.342889  0.686584  0.826685  1.000000
+    118   1     13   9   1    48     6.892    2563.750      133.2      150.4     10.968   6.892   0.000   0.000  0.342889  0.686584  0.826685  1.000000
+    119   1     15   5   1    48     6.892    2563.750      133.2      150.4     10.968   6.892   0.000   0.000  0.342889  0.686584  0.826685  1.000000
+    120   1     12  10   2    48     6.909    2579.209      280.5      400.5     19.354   6.909   0.000   0.000  0.344957  0.682468  0.807945  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    121   1     14   6   4    48     6.908    2579.209      280.5      400.5     19.355   6.908   0.000   0.000  0.344957  0.682322  0.807986  1.000000
-    122   1     12   8   6    48     6.931    2600.264        0.0        0.0      0.000   6.931   0.000   0.000  0.347773  0.676797  0.783349  1.000000
-    123   1      9   9   9     8     6.937    2605.609       25.5       32.6      3.424   6.937   0.000   0.000  0.348487  0.675409  0.777252  1.000000
-    124   1     11  11   1    24     6.937    2605.609       76.4       97.7     10.272   6.937   0.000   0.000  0.348487  0.675409  0.777252  1.000000
-    125   1     13   7   5    48     6.937    2605.609      152.8      195.4     20.545   6.937   0.000   0.000  0.348487  0.675409  0.777252  1.000000
-    126   1     15   3   3    24     6.937    2605.609       76.4       97.7     10.272   6.937   0.000   0.000  0.348487  0.675409  0.777252  1.000000
-    127   1     10  10   6    24     6.980    2643.969        0.0        0.0      0.000   6.980   0.000   0.000  0.353618  0.665610  0.735276  1.000000
-    128   1     14   6   2    48     6.980    2643.969        0.0        0.0      0.000   6.980   0.000   0.000  0.353618  0.665610  0.735276  1.000000
-    129   1     15   3   1    48     6.986    2649.589      175.9       38.4     36.239   6.986   0.000   0.000  0.354369  0.664198  0.729379  1.000000
-    130   1     14   6   0    24     7.005    2666.665      185.4      172.1     38.035   7.005   0.000   0.000  0.356653  0.659945  0.711840  1.000000
-    131   1     10   8   8    24     7.031    2689.955        0.0        0.0      0.000   7.031   0.000   0.000  0.359768  0.654231  0.688805  1.000000
-    132   1     14   4   4    24     7.031    2689.955        0.0        0.0      0.000   7.031   0.000   0.000  0.359768  0.654231  0.688805  1.000000
-    133   1     11   9   5    48     7.038    2695.873      202.8      215.1     16.271   7.038   0.000   0.000  0.360560  0.652795  0.683109  1.000000
-    134   1     13   7   3    48     7.038    2695.873      202.8      215.1     16.271   7.038   0.000   0.000  0.360560  0.652795  0.683109  1.000000
-    135   1     15   1   1    24     7.038    2695.873      101.4      107.6      8.135   7.038   0.000   0.000  0.360560  0.652795  0.683109  1.000000
-    136   1     12   8   4    48     7.058    2713.866      428.4      741.5     40.797   7.058   0.000   0.000  0.362966  0.648467  0.666171  1.000000
-    137   1     11   7   7    24     7.093    2744.671      117.3      167.5     10.090   7.093   0.000   0.000  0.367086  0.641189  0.638441  1.000000
-    138   1     13   5   5    24     7.093    2744.671      117.3      167.5     10.090   7.093   0.000   0.000  0.367086  0.641189  0.638441  1.000000
-    139   1     13   7   1    48     7.093    2744.671      234.5      335.0     20.180   7.093   0.000   0.000  0.367086  0.641189  0.638441  1.000000
-    140   1     10  10   4    24     7.115    2763.666      247.9      364.5     11.665   7.115   0.000   0.000  0.369627  0.636782  0.622104  1.000000
-    141   1     12   6   6    24     7.115    2763.666      247.9      364.5     11.665   7.115   0.000   0.000  0.369627  0.636782  0.622104  1.000000
-    142   1     14   4   2    48     7.115    2763.666      495.7      729.0     23.330   7.115   0.000   0.000  0.369627  0.636782  0.622104  1.000000
-    143   1     12   8   2    48     7.145    2789.616        0.0        0.0      0.000   7.145   0.000   0.000  0.373097  0.630858  0.600672  1.000000
-    144   1      9   9   7    24     7.152    2796.219      135.9      235.7     14.396   7.152   0.000   0.000  0.373981  0.629368  0.595376  1.000000
-    145   1     11   9   3    48     7.152    2796.219      271.8      471.5     28.792   7.152   0.000   0.000  0.373981  0.629368  0.595376  1.000000
-    146   1     12   8   0    24     7.175    2816.312      287.5      489.5     42.686   7.175   0.000   0.000  0.376668  0.624878  0.579640  1.000000
-    147   1     10  10   2    24     7.207    2843.788        0.0        0.0      0.000   7.207   0.000   0.000  0.380343  0.618841  0.559008  1.000000
-    148   1     14   2   2    24     7.207    2843.788        0.0        0.0      0.000   7.207   0.000   0.000  0.380343  0.618841  0.559008  1.000000
-    149   1     11   9   1    48     7.215    2850.784      316.0      374.9     22.583   7.215   0.000   0.000  0.381278  0.617322  0.553913  1.000000
-    150   1     13   5   3    48     7.215    2850.784      316.0      374.9     22.583   7.215   0.000   0.000  0.381278  0.617322  0.553913  1.000000
-    151   1     10   8   6    48     7.240    2872.085      669.3      887.4     28.617   7.240   0.000   0.000  0.384127  0.612743  0.538778  1.000000
-    152   1     10  10   0    12     7.240    2872.085      167.3      221.9      7.154   7.240   0.000   0.000  0.384127  0.612743  0.538778  1.000000
-    153   1     14   2   0    24     7.240    2872.085      334.6      443.7     14.308   7.240   0.000   0.000  0.384127  0.612743  0.538778  1.000000
-    154   1     12   6   4    48     7.274    2901.244        0.0        0.0      0.000   7.274   0.000   0.000  0.388027  0.606585  0.518948  1.000000
-    155   1     11   7   5    48     7.283    2908.675      368.6      382.7     23.826   7.283   0.000   0.000  0.389021  0.605036  0.514052  1.000000
-    156   1     13   5   1    48     7.283    2908.674      368.6      382.7     23.827   7.283   0.000   0.000  0.389021  0.605036  0.514053  1.000000
-    157   1      8   8   8     8     7.309    2931.310      130.2      131.9     44.361   7.309   0.000   0.000  0.392048  0.600364  0.499518  1.000000
-    158   1      9   9   5    24     7.355    2970.240      215.6       48.0     23.113   7.355   0.000   0.000  0.397255  0.592495  0.475794  1.000000
-    159   1     13   3   3    24     7.355    2970.240      215.6       48.0     23.113   7.355   0.000   0.000  0.397255  0.592495  0.475794  1.000000
-    160   1     12   6   2    48     7.384    2994.356      915.8      797.5     51.568   7.384   0.000   0.000  0.400480  0.587723  0.461861  1.000000
-    161   1     10   8   4    48     7.424    3027.444        0.0        0.0      0.000   7.424   0.000   0.000  0.404906  0.581299  0.443633  1.000000
-    162   1      9   7   7    24     7.434    3035.889      253.2      223.7     10.581   7.434   0.000   0.000  0.406035  0.579683  0.439139  1.000000
-    163   1     11   7   3    48     7.434    3035.889      506.4      447.4     21.163   7.434   0.000   0.000  0.406035  0.579683  0.439139  1.000000
-    164   1     13   3   1    48     7.434    3035.889      506.4      447.4     21.163   7.434   0.000   0.000  0.406035  0.579683  0.439139  1.000000
-    165   1     12   4   4    24     7.465    3061.654      538.4      620.0     51.413   7.465   0.000   0.000  0.409481  0.574804  0.425806  1.000000
-    166   1     10   6   6    24     7.508    3097.050        0.0        0.0      0.000   7.508   0.000   0.000  0.414215  0.568235  0.408380  1.000000
-    167   1      9   9   3    24     7.519    3106.092      298.6      298.7     11.155   7.519   0.000   0.000  0.415425  0.566581  0.404086  1.000000
-    168   1     13   1   1    24     7.519    3106.092      298.6      298.7     11.155   7.519   0.000   0.000  0.415425  0.566581  0.404086  1.000000
-    169   1     11   5   5    24     7.519    3106.092      298.6      298.7     11.155   7.519   0.000   0.000  0.415425  0.566581  0.404085  1.000000
-    170   1     11   7   1    48     7.519    3106.092      597.1      597.3     22.310   7.519   0.000   0.000  0.415425  0.566581  0.404085  1.000000
-    171   1     10   8   2    48     7.552    3133.702     1272.0     1457.6     58.733   7.552   0.000   0.000  0.419117  0.561589  0.391354  1.000000
-    172   1      8   8   6    24     7.599    3171.688        0.0        0.0      0.000   7.599   0.000   0.000  0.424198  0.554863  0.374728  1.000000
-    173   1     12   4   2    48     7.599    3171.688        0.0        0.0      0.000   7.599   0.000   0.000  0.424198  0.554863  0.374729  1.000000
-    174   1      9   9   1    24     7.611    3181.402      353.6      130.0     50.766   7.611   0.000   0.000  0.425497  0.553169  0.370635  1.000000
-    175   1     12   4   0    24     7.647    3211.089      754.4      686.8     56.784   7.647   0.000   0.000  0.429467  0.548054  0.358504  1.000000
-    176   1      9   7   5    48     7.711    3262.470      841.6      915.4     30.362   7.711   0.000   0.000  0.436339  0.539423  0.338786  1.000000
-    177   1     11   5   3    48     7.711    3262.470      841.6      915.4     30.362   7.711   0.000   0.000  0.436339  0.539423  0.338786  1.000000
-    178   1     10   6   4    48     7.751    3294.508     1799.2     2027.7     46.573   7.751   0.000   0.000  0.440624  0.534177  0.327257  1.000000
-    179   1     12   2   2    24     7.751    3294.508      899.6     1013.8     23.286   7.751   0.000   0.000  0.440624  0.534177  0.327257  1.000000
-    180   1      7   7   7     8     7.821    3350.069      167.8      158.9      8.603   7.821   0.000   0.000  0.448055  0.525318  0.308541  1.000000
+    121   1     14   6   4    48     6.909    2579.209      280.5      400.5     19.354   6.909   0.000   0.000  0.344957  0.682468  0.807945  1.000000
+    122   1     12   8   6    48     6.932    2600.264        0.0        0.0      0.000   6.932   0.000   0.000  0.347773  0.676942  0.783309  1.000000
+    123   1      9   9   9     8     6.938    2605.609       25.5       32.6      3.424   6.938   0.000   0.000  0.348487  0.675554  0.777213  1.000000
+    124   1     11  11   1    24     6.938    2605.609       76.4       97.7     10.271   6.938   0.000   0.000  0.348487  0.675554  0.777213  1.000000
+    125   1     13   7   5    48     6.938    2605.609      152.8      195.4     20.542   6.938   0.000   0.000  0.348487  0.675554  0.777213  1.000000
+    126   1     15   3   3    24     6.938    2605.609       76.4       97.7     10.271   6.938   0.000   0.000  0.348487  0.675554  0.777213  1.000000
+    127   1     10  10   6    24     6.980    2643.969        0.0        0.0      0.000   6.980   0.000   0.000  0.353618  0.665752  0.735239  1.000000
+    128   1     14   6   2    48     6.980    2643.969        0.0        0.0      0.000   6.980   0.000   0.000  0.353618  0.665752  0.735239  1.000000
+    129   1     15   3   1    48     6.986    2649.589      175.9       38.4     36.242   6.986   0.000   0.000  0.354369  0.664340  0.729343  1.000000
+    130   1     14   6   0    24     7.006    2666.665      185.4      172.1     38.035   7.006   0.000   0.000  0.356653  0.660086  0.711805  1.000000
+    131   1     10   8   8    24     7.032    2689.955        0.0        0.0      0.000   7.032   0.000   0.000  0.359768  0.654371  0.688771  1.000000
+    132   1     14   4   4    24     7.032    2689.955        0.0        0.0      0.000   7.032   0.000   0.000  0.359768  0.654371  0.688771  1.000000
+    133   1     11   9   5    48     7.038    2695.874      202.8      215.2     16.274   7.038   0.000   0.000  0.360560  0.652935  0.683075  1.000000
+    134   1     13   7   3    48     7.038    2695.874      202.8      215.2     16.274   7.038   0.000   0.000  0.360560  0.652935  0.683075  1.000000
+    135   1     15   1   1    24     7.038    2695.874      101.4      107.6      8.137   7.038   0.000   0.000  0.360560  0.652935  0.683075  1.000000
+    136   1     12   8   4    48     7.059    2713.866      428.4      741.5     40.805   7.059   0.000   0.000  0.362966  0.648606  0.666138  1.000000
+    137   1     11   7   7    24     7.094    2744.672      117.3      167.5     10.090   7.094   0.000   0.000  0.367086  0.641326  0.638410  1.000000
+    138   1     13   5   5    24     7.094    2744.671      117.3      167.5     10.090   7.094   0.000   0.000  0.367086  0.641326  0.638410  1.000000
+    139   1     13   7   1    48     7.094    2744.672      234.5      335.0     20.179   7.094   0.000   0.000  0.367086  0.641326  0.638410  1.000000
+    140   1     10  10   4    24     7.115    2763.666      247.9      364.5     11.664   7.115   0.000   0.000  0.369627  0.636918  0.622073  1.000000
+    141   1     12   6   6    24     7.115    2763.666      247.9      364.5     11.664   7.115   0.000   0.000  0.369627  0.636918  0.622073  1.000000
+    142   1     14   4   2    48     7.115    2763.666      495.7      728.9     23.328   7.115   0.000   0.000  0.369627  0.636918  0.622073  1.000000
+    143   1     12   8   2    48     7.145    2789.617        0.0        0.0      0.000   7.145   0.000   0.000  0.373098  0.630993  0.600642  1.000000
+    144   1      9   9   7    24     7.153    2796.219      135.9      235.7     14.396   7.153   0.000   0.000  0.373981  0.629503  0.595347  1.000000
+    145   1     11   9   3    48     7.153    2796.219      271.8      471.5     28.792   7.153   0.000   0.000  0.373981  0.629503  0.595347  1.000000
+    146   1     12   8   0    24     7.176    2816.312      287.5      489.5     42.687   7.176   0.000   0.000  0.376668  0.625012  0.579611  1.000000
+    147   1     10  10   2    24     7.207    2843.789        0.0        0.0      0.000   7.207   0.000   0.000  0.380343  0.618973  0.558981  1.000000
+    148   1     14   2   2    24     7.207    2843.789        0.0        0.0      0.000   7.207   0.000   0.000  0.380343  0.618973  0.558981  1.000000
+    149   1     13   5   3    48     7.216    2850.784      316.0      374.9     22.581   7.216   0.000   0.000  0.381278  0.617454  0.553886  1.000000
+    150   1     11   9   1    48     7.216    2850.785      316.0      374.9     22.580   7.216   0.000   0.000  0.381278  0.617454  0.553886  1.000000
+    151   1     10   8   6    48     7.240    2872.086      669.3      887.4     28.617   7.240   0.000   0.000  0.384127  0.612875  0.538752  1.000000
+    152   1     10  10   0    12     7.240    2872.086      167.3      221.8      7.154   7.240   0.000   0.000  0.384127  0.612875  0.538752  1.000000
+    153   1     14   2   0    24     7.240    2872.086      334.6      443.7     14.309   7.240   0.000   0.000  0.384127  0.612875  0.538752  1.000000
+    154   1     12   6   4    48     7.275    2901.245        0.0        0.0      0.000   7.275   0.000   0.000  0.388027  0.606715  0.518922  1.000000
+    155   1     11   7   5    48     7.283    2908.675      368.6      382.7     23.826   7.283   0.000   0.000  0.389021  0.605165  0.514028  1.000000
+    156   1     13   5   1    48     7.283    2908.675      368.6      382.7     23.826   7.283   0.000   0.000  0.389021  0.605165  0.514028  1.000000
+    157   1      8   8   8     8     7.310    2931.311      130.2      131.8     44.361   7.310   0.000   0.000  0.392048  0.600492  0.499494  1.000000
+    158   1      9   9   5    24     7.356    2970.241      215.6       48.0     23.112   7.356   0.000   0.000  0.397255  0.592622  0.475772  1.000000
+    159   1     13   3   3    24     7.356    2970.241      215.6       48.0     23.112   7.356   0.000   0.000  0.397255  0.592622  0.475772  1.000000
+    160   1     12   6   2    48     7.385    2994.356      915.8      797.5     51.566   7.385   0.000   0.000  0.400480  0.587849  0.461839  1.000000
+    161   1     10   8   4    48     7.424    3027.445        0.0        0.0      0.000   7.424   0.000   0.000  0.404906  0.581424  0.443613  1.000000
+    162   1      9   7   7    24     7.434    3035.889      253.2      223.7     10.582   7.434   0.000   0.000  0.406035  0.579807  0.439119  1.000000
+    163   1     11   7   3    48     7.434    3035.889      506.4      447.4     21.163   7.434   0.000   0.000  0.406035  0.579807  0.439119  1.000000
+    164   1     13   3   1    48     7.434    3035.889      506.4      447.4     21.163   7.434   0.000   0.000  0.406035  0.579807  0.439119  1.000000
+    165   1     12   4   4    24     7.465    3061.654      538.4      619.9     51.417   7.465   0.000   0.000  0.409481  0.574927  0.425786  1.000000
+    166   1     10   6   6    24     7.508    3097.050        0.0        0.0      0.000   7.508   0.000   0.000  0.414215  0.568357  0.408361  1.000000
+    167   1      9   9   3    24     7.519    3106.093      298.6      298.7     11.155   7.519   0.000   0.000  0.415425  0.566702  0.404067  1.000000
+    168   1     11   5   5    24     7.519    3106.093      298.6      298.7     11.155   7.519   0.000   0.000  0.415425  0.566702  0.404067  1.000000
+    169   1     11   7   1    48     7.519    3106.093      597.1      597.4     22.310   7.519   0.000   0.000  0.415425  0.566702  0.404067  1.000000
+    170   1     13   1   1    24     7.519    3106.093      298.6      298.7     11.155   7.519   0.000   0.000  0.415425  0.566702  0.404067  1.000000
+    171   1     10   8   2    48     7.553    3133.703     1272.0     1457.5     58.734   7.553   0.000   0.000  0.419117  0.561709  0.391336  1.000000
+    172   1      8   8   6    24     7.599    3171.688        0.0        0.0      0.000   7.599   0.000   0.000  0.424198  0.554982  0.374712  1.000000
+    173   1     12   4   2    48     7.599    3171.688        0.0        0.0      0.000   7.599   0.000   0.000  0.424198  0.554982  0.374712  1.000000
+    174   1      9   9   1    24     7.611    3181.403      353.6      130.0     50.763   7.611   0.000   0.000  0.425497  0.553287  0.370619  1.000000
+    175   1     12   4   0    24     7.648    3211.090      754.4      686.8     56.780   7.648   0.000   0.000  0.429467  0.548172  0.358488  1.000000
+    176   1      9   7   5    48     7.711    3262.470      841.6      915.4     30.364   7.711   0.000   0.000  0.436339  0.539539  0.338772  1.000000
+    177   1     11   5   3    48     7.711    3262.470      841.6      915.4     30.364   7.711   0.000   0.000  0.436339  0.539539  0.338772  1.000000
+    178   1     12   2   2    24     7.751    3294.509      899.6     1013.8     23.287   7.751   0.000   0.000  0.440624  0.534292  0.327243  1.000000
+    179   1     10   6   4    48     7.751    3294.509     1799.2     2027.7     46.575   7.751   0.000   0.000  0.440624  0.534292  0.327243  1.000000
+    180   1      7   7   7     8     7.821    3350.069      167.8      158.9      8.603   7.821   0.000   0.000  0.448055  0.525431  0.308528  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    181   1     11   5   1    48     7.821    3350.069     1006.9      953.5     51.617   7.821   0.000   0.000  0.448055  0.525318  0.308540  1.000000
-    182   1      8   8   4    24     7.864    3384.785     1078.6     1031.4     51.686   7.864   0.000   0.000  0.452698  0.519930  0.297612  1.000000
-    183   1     12   0   0     6     7.864    3384.785      269.6      257.8     12.921   7.864   0.000   0.000  0.452698  0.519930  0.297612  1.000000
-    184   1     10   6   2    48     7.925    3432.799        0.0        0.0      0.000   7.925   0.000   0.000  0.459120  0.512658  0.283390  1.000000
-    185   1      9   7   3    48     7.941    3445.125     1211.9     1163.0     44.025   7.941   0.000   0.000  0.460769  0.510824  0.279897  1.000000
-    186   1     11   3   3    24     7.941    3445.125      605.9      581.5     22.013   7.941   0.000   0.000  0.460769  0.510824  0.279897  1.000000
-    187   1      8   6   6    24     7.989    3482.915     1301.2     1342.2     37.530   7.989   0.000   0.000  0.465823  0.505281  0.269569  1.000000
-    188   1     10   6   0    24     7.989    3482.915     1301.2     1342.2     37.530   7.989   0.000   0.000  0.465823  0.505281  0.269569  1.000000
-    189   1      8   8   2    24     8.057    3535.293        0.0        0.0      0.000   8.057   0.000   0.000  0.472828  0.497795  0.256149  1.000000
-    190   1     10   4   4    24     8.057    3535.293        0.0        0.0      0.000   8.057   0.000   0.000  0.472828  0.497795  0.256149  1.000000
-    191   1      9   5   5    24     8.074    3548.761      734.1      680.9     15.186   8.074   0.000   0.000  0.474629  0.495906  0.252856  1.000000
-    192   1      9   7   1    48     8.074    3548.761     1468.2     1361.9     30.371   8.074   0.000   0.000  0.474629  0.495906  0.252856  1.000000
-    193   1     11   3   1    48     8.074    3548.761     1468.2     1361.9     30.371   8.074   0.000   0.000  0.474629  0.495906  0.252856  1.000000
-    194   1      8   8   0    12     8.128    3590.107      790.3      382.8     65.821   8.128   0.000   0.000  0.480159  0.490195  0.243129  1.000000
-    195   1      7   7   5    24     8.222    3662.350      896.0      640.8     34.454   8.222   0.000   0.000  0.489821  0.480525  0.227417  1.000000
-    196   1     11   1   1    24     8.222    3662.350      896.0      640.8     34.454   8.222   0.000   0.000  0.489821  0.480525  0.227417  1.000000
-    197   1     10   4   2    48     8.282    3707.847     3870.6     3648.1     86.214   8.282   0.000   0.000  0.495906  0.474629  0.218291  1.000000
-    198   1      8   6   4    48     8.365    3771.233        0.0        0.0      0.000   8.365   0.000   0.000  0.504384  0.466652  0.206473  1.000000
-    199   1      9   5   3    48     8.387    3787.594     2206.0     1544.6     85.670   8.387   0.000   0.000  0.506572  0.464636  0.203581  1.000000
-    200   1      6   6   6     8     8.548    3908.414        0.0        0.0      0.000   8.548   0.000   0.000  0.522731  0.450273  0.184039  1.000000
-    201   1     10   2   2    24     8.548    3908.414        0.0        0.0      0.000   8.548   0.000   0.000  0.522731  0.450273  0.184039  1.000000
-    202   1      7   7   3    24     8.573    3926.635     1371.1     1370.6     29.085   8.573   0.000   0.000  0.525168  0.448183  0.181347  1.000000
-    203   1      9   5   1    48     8.573    3926.635     2742.1     2741.2     58.170   8.573   0.000   0.000  0.525168  0.448183  0.181347  1.000000
-    204   1      8   6   2    48     8.649    3982.866     5967.1     6359.8     74.638   8.649   0.000   0.000  0.532689  0.441856  0.173423  1.000000
-    205   1     10   2   0    24     8.649    3982.866     2983.5     3179.9     37.319   8.649   0.000   0.000  0.532689  0.441856  0.173423  1.000000
-    206   1      9   3   3    24     8.784    4082.204     1723.4     1693.6     31.796   8.784   0.000   0.000  0.545975  0.431103  0.160716  1.000000
-    207   1      7   5   5    24     8.784    4082.205     1723.4     1693.6     31.795   8.784   0.000   0.000  0.545975  0.431103  0.160716  1.000000
-    208   1      7   7   1    24     8.784    4082.205     1723.4     1693.6     31.795   8.784   0.000   0.000  0.545975  0.431103  0.160716  1.000000
-    209   1      8   4   4    24     8.871    4145.499     3767.9     3657.7     98.614   8.871   0.000   0.000  0.554440  0.424521  0.153392  1.000000
-    210   1      9   3   1    48     9.026    4257.863     4389.9     3961.4     96.487   9.026   0.000   0.000  0.569468  0.413318  0.141687  1.000000
-    211   1      6   6   4    24     9.126    4329.832     4825.2     4152.5    106.611   9.126   0.000   0.000  0.579094  0.406448  0.134965  1.000000
-    212   1      8   4   2    48     9.269    4431.724        0.0        0.0      0.000   9.269   0.000   0.000  0.592721  0.397103  0.126351  1.000000
-    213   1      9   1   1    24     9.306    4458.341     2839.2     2871.8     38.762   9.306   0.000   0.000  0.596281  0.394732  0.124261  1.000000
-    214   1      7   5   3    48     9.306    4458.341     5678.5     5743.6     77.524   9.306   0.000   0.000  0.596281  0.394732  0.124261  1.000000
-    215   1      8   4   0    24     9.423    4541.166     6282.7     5711.8    114.951   9.423   0.000   0.000  0.607359  0.387533  0.118139  1.000000
-    216   1      6   6   2    24     9.591    4659.138        0.0        0.0      0.000   9.591   0.000   0.000  0.623137  0.377720  0.110327  1.000000
-    217   1      5   5   5     8     9.635    4690.096     1247.3     1182.8     17.263   9.635   0.000   0.000  0.627277  0.375227  0.108437  1.000000
-    218   1      7   5   1    48     9.635    4690.096     7483.5     7096.9    103.577   9.635   0.000   0.000  0.627277  0.375227  0.108437  1.000000
-    219   1      6   6   0    12     9.774    4786.810     4173.3     4074.9     46.165   9.774   0.000   0.000  0.640212  0.367646  0.102916  1.000000
-    220   1      8   2   2    24     9.774    4786.810     8346.5     8149.8     92.329   9.774   0.000   0.000  0.640212  0.367646  0.102916  1.000000
-    221   1      6   4   4    24     9.975    4925.586        0.0        0.0      0.000   9.975   0.000   0.000  0.658773  0.357288  0.095905  1.000000
-    222   1      7   3   3    24    10.028    4962.208     5045.4     4302.2    116.023  10.028   0.000   0.000  0.663671  0.354651  0.094215  1.000000
-    223   1      8   0   0     6    10.196    5077.178     2841.8     2694.3    115.509  10.196   0.000   0.000  0.679048  0.346620  0.089295  1.000000
-    224   1      5   5   3    24    10.506    5287.938     7001.4     7370.8     53.715  10.506   0.000   0.000  0.707236  0.332805  0.081596  1.000000
-    225   1      7   3   1    48    10.506    5287.938    14002.8    14741.6    107.430  10.506   0.000   0.000  0.707236  0.332805  0.081596  1.000000
-    226   1      6   4   2    48    10.713    5427.731    31953.1    33349.7    188.681  10.713   0.000   0.000  0.725932  0.324233  0.077277  1.000000
-    227   1      5   5   1    24    11.103    5687.577    10083.1    10524.6     83.298  11.103   0.000   0.000  0.760685  0.309420  0.070579  1.000000
-    228   1      7   1   1    24    11.103    5687.577    10083.0    10524.6     83.298  11.103   0.000   0.000  0.760685  0.309420  0.070579  1.000000
-    229   1      4   4   4     8    11.367    5862.620     7800.1     7252.4    138.650  11.367   0.000   0.000  0.784097  0.300182  0.066861  1.000000
-    230   1      6   2   2    24    11.764    6123.307        0.0        0.0      0.000  11.764   0.000   0.000  0.818962  0.287402  0.062254  1.000000
-    231   1      5   3   3    24    11.873    6194.099    15263.0    15733.2    163.475  11.873   0.000   0.000  0.828430  0.284117  0.061165  1.000000
-    232   1      6   2   0    24    12.224    6422.179    36259.9    38815.7    205.412  12.224   0.000   0.000  0.858935  0.274027  0.058048  1.000000
-    233   1      4   4   2    24    12.763    6769.570        0.0        0.0      0.000  12.763   0.000   0.000  0.905397  0.259965  0.054242  1.000000
-    234   1      5   3   1    48    12.913    6865.598    49580.8    51350.2    230.476  12.913   0.000   0.000  0.918240  0.256329  0.053353  1.000000
-    235   1      4   4   0    12    13.407    7180.214    30483.2    32623.3    204.560  13.407   0.000   0.000  0.960318  0.245097  0.050837  1.000000
-    236   1      3   3   3     8    14.416    7816.827    14942.2    15436.0     65.556  14.416   0.000   0.000  1.045462  0.225136  0.047144  1.000000
-    237   1      5   1   1    24    14.416    7816.827    44826.6    46308.0    196.667  14.416   0.000   0.000  1.045462  0.225136  0.047144  1.000000
-    238   1      4   2   2    24    15.174    8290.997   116630.6   119892.8    349.085  15.174   0.000   0.000  1.108880  0.212261  0.045228  1.000000
-    239   1      3   3   1    24    16.836    9318.276    97409.3    98408.7    363.997  16.836   0.000   0.000  1.246274  0.188860  0.042537  1.000000
-    240   1      4   0   0     6    18.202   10154.356    70595.8    70164.5    356.530  18.202   0.000   0.000  1.358095  0.173310  0.041222  1.000000
+    181   1     11   5   1    48     7.821    3350.069     1006.9      953.5     51.617   7.821   0.000   0.000  0.448055  0.525431  0.308528  1.000000
+    182   1      8   8   4    24     7.865    3384.786     1078.6     1031.3     51.683   7.865   0.000   0.000  0.452698  0.520041  0.297599  1.000000
+    183   1     12   0   0     6     7.865    3384.786      269.6      257.8     12.921   7.865   0.000   0.000  0.452698  0.520041  0.297599  1.000000
+    184   1     10   6   2    48     7.926    3432.800        0.0        0.0      0.000   7.926   0.000   0.000  0.459120  0.512768  0.283378  1.000000
+    185   1      9   7   3    48     7.942    3445.126     1211.8     1163.1     44.026   7.942   0.000   0.000  0.460769  0.510933  0.279886  1.000000
+    186   1     11   3   3    24     7.942    3445.126      605.9      581.5     22.013   7.942   0.000   0.000  0.460769  0.510933  0.279886  1.000000
+    187   1      8   6   6    24     7.990    3482.916     1301.2     1342.2     37.530   7.990   0.000   0.000  0.465823  0.505389  0.269558  1.000000
+    188   1     10   6   0    24     7.990    3482.916     1301.2     1342.2     37.530   7.990   0.000   0.000  0.465823  0.505389  0.269558  1.000000
+    189   1      8   8   2    24     8.057    3535.293        0.0        0.0      0.000   8.057   0.000   0.000  0.472828  0.497902  0.256139  1.000000
+    190   1     10   4   4    24     8.057    3535.293        0.0        0.0      0.000   8.057   0.000   0.000  0.472828  0.497902  0.256139  1.000000
+    191   1      9   5   5    24     8.075    3548.761      734.1      680.9     15.185   8.075   0.000   0.000  0.474629  0.496012  0.252846  1.000000
+    192   1      9   7   1    48     8.075    3548.761     1468.2     1361.8     30.371   8.075   0.000   0.000  0.474629  0.496012  0.252846  1.000000
+    193   1     11   3   1    48     8.075    3548.762     1468.2     1361.9     30.370   8.075   0.000   0.000  0.474629  0.496012  0.252846  1.000000
+    194   1      8   8   0    12     8.128    3590.108      790.3      382.8     65.815   8.128   0.000   0.000  0.480159  0.490300  0.243120  1.000000
+    195   1      7   7   5    24     8.223    3662.350      896.0      640.8     34.456   8.223   0.000   0.000  0.489821  0.480628  0.227409  1.000000
+    196   1     11   1   1    24     8.223    3662.350      896.0      640.8     34.456   8.223   0.000   0.000  0.489821  0.480628  0.227409  1.000000
+    197   1     10   4   2    48     8.282    3707.847     3870.6     3648.1     86.212   8.282   0.000   0.000  0.495906  0.474731  0.218283  1.000000
+    198   1      8   6   4    48     8.366    3771.234        0.0        0.0      0.000   8.366   0.000   0.000  0.504384  0.466752  0.206466  1.000000
+    199   1      9   5   3    48     8.388    3787.595     2206.0     1544.7     85.669   8.388   0.000   0.000  0.506572  0.464735  0.203574  1.000000
+    200   1     10   2   2    24     8.549    3908.414        0.0        0.0      0.000   8.549   0.000   0.000  0.522731  0.450369  0.184033  1.000000
+    201   1      6   6   6     8     8.549    3908.414        0.0        0.0      0.000   8.549   0.000   0.000  0.522731  0.450369  0.184033  1.000000
+    202   1      7   7   3    24     8.574    3926.635     1371.0     1370.6     29.086   8.574   0.000   0.000  0.525168  0.448279  0.181342  1.000000
+    203   1      9   5   1    48     8.574    3926.635     2742.1     2741.2     58.173   8.574   0.000   0.000  0.525168  0.448279  0.181342  1.000000
+    204   1      8   6   2    48     8.650    3982.867     5967.0     6359.8     74.636   8.650   0.000   0.000  0.532689  0.441950  0.173418  1.000000
+    205   1     10   2   0    24     8.650    3982.867     2983.5     3179.9     37.318   8.650   0.000   0.000  0.532689  0.441950  0.173418  1.000000
+    206   1      7   7   1    24     8.785    4082.205     1723.4     1693.6     31.796   8.785   0.000   0.000  0.545975  0.431196  0.160712  1.000000
+    207   1      7   5   5    24     8.785    4082.205     1723.4     1693.6     31.796   8.785   0.000   0.000  0.545975  0.431196  0.160712  1.000000
+    208   1      9   3   3    24     8.785    4082.205     1723.4     1693.6     31.796   8.785   0.000   0.000  0.545975  0.431196  0.160712  1.000000
+    209   1      8   4   4    24     8.872    4145.499     3767.8     3657.6     98.609   8.872   0.000   0.000  0.554440  0.424612  0.153389  1.000000
+    210   1      9   3   1    48     9.027    4257.863     4389.9     3961.4     96.491   9.027   0.000   0.000  0.569468  0.413407  0.141684  1.000000
+    211   1      6   6   4    24     9.127    4329.833     4825.2     4152.6    106.610   9.127   0.000   0.000  0.579094  0.406535  0.134962  1.000000
+    212   1      8   4   2    48     9.270    4431.725        0.0        0.0      0.000   9.270   0.000   0.000  0.592721  0.397188  0.126349  1.000000
+    213   1      7   5   3    48     9.307    4458.342     5678.4     5743.6     77.526   9.307   0.000   0.000  0.596281  0.394817  0.124258  1.000000
+    214   1      9   1   1    24     9.307    4458.342     2839.2     2871.8     38.763   9.307   0.000   0.000  0.596281  0.394817  0.124258  1.000000
+    215   1      8   4   0    24     9.424    4541.167     6282.6     5711.8    114.949   9.424   0.000   0.000  0.607359  0.387616  0.118137  1.000000
+    216   1      6   6   2    24     9.592    4659.139        0.0        0.0      0.000   9.592   0.000   0.000  0.623137  0.377801  0.110326  1.000000
+    217   1      5   5   5     8     9.636    4690.097     1247.2     1182.8     17.263   9.636   0.000   0.000  0.627277  0.375308  0.108435  1.000000
+    218   1      7   5   1    48     9.636    4690.097     7483.4     7096.9    103.581   9.636   0.000   0.000  0.627277  0.375308  0.108435  1.000000
+    219   1      8   2   2    24     9.775    4786.810     8346.4     8149.8     92.328   9.775   0.000   0.000  0.640212  0.367725  0.102915  1.000000
+    220   1      6   6   0    12     9.775    4786.810     4173.2     4074.9     46.164   9.775   0.000   0.000  0.640212  0.367725  0.102915  1.000000
+    221   1      6   4   4    24     9.976    4925.587        0.0        0.0      0.000   9.976   0.000   0.000  0.658773  0.357364  0.095905  1.000000
+    222   1      7   3   3    24    10.029    4962.209     5045.3     4302.2    116.027  10.029   0.000   0.000  0.663671  0.354727  0.094215  1.000000
+    223   1      8   0   0     6    10.197    5077.179     2841.8     2694.3    115.506  10.197   0.000   0.000  0.679048  0.346694  0.089295  1.000000
+    224   1      5   5   3    24    10.507    5287.939     7001.3     7370.8     53.716  10.507   0.000   0.000  0.707236  0.332876  0.081596  1.000000
+    225   1      7   3   1    48    10.507    5287.939    14002.6    14741.7    107.432  10.507   0.000   0.000  0.707236  0.332876  0.081596  1.000000
+    226   1      6   4   2    48    10.715    5427.732    31952.7    33349.6    188.679  10.715   0.000   0.000  0.725933  0.324303  0.077277  1.000000
+    227   1      5   5   1    24    11.104    5687.578    10082.9    10524.6     83.300  11.104   0.000   0.000  0.760686  0.309487  0.070580  1.000000
+    228   1      7   1   1    24    11.104    5687.578    10082.9    10524.6     83.300  11.104   0.000   0.000  0.760686  0.309487  0.070580  1.000000
+    229   1      4   4   4     8    11.369    5862.621     7800.0     7252.4    138.648  11.369   0.000   0.000  0.784097  0.300246  0.066862  1.000000
+    230   1      6   2   2    24    11.766    6123.308        0.0        0.0      0.000  11.766   0.000   0.000  0.818962  0.287464  0.062255  1.000000
+    231   1      5   3   3    24    11.874    6194.101    15262.7    15733.2    163.478  11.874   0.000   0.000  0.828431  0.284178  0.061166  1.000000
+    232   1      6   2   0    24    12.225    6422.179    36259.3    38815.7    205.409  12.225   0.000   0.000  0.858935  0.274086  0.058049  1.000000
+    233   1      4   4   2    24    12.765    6769.572        0.0        0.0      0.000  12.765   0.000   0.000  0.905397  0.260021  0.054244  1.000000
+    234   1      5   3   1    48    12.915    6865.599    49579.9    51350.2    230.476  12.915   0.000   0.000  0.918240  0.256384  0.053355  1.000000
+    235   1      4   4   0    12    13.408    7180.215    30482.7    32623.2    204.560  13.408   0.000   0.000  0.960319  0.245150  0.050839  1.000000
+    236   1      5   1   1    24    14.417    7816.828    44825.8    46307.9    196.667  14.417   0.000   0.000  1.045462  0.225185  0.047146  1.000000
+    237   1      3   3   3     8    14.417    7816.828    14941.9    15436.0     65.556  14.417   0.000   0.000  1.045462  0.225185  0.047146  1.000000
+    238   1      4   2   2    24    15.176    8290.998   116628.4   119892.7    349.085  15.176   0.000   0.000  1.108880  0.212306  0.045231  1.000000
+    239   1      3   3   1    24    16.838    9318.277    97407.4    98408.5    363.997  16.838   0.000   0.000  1.246274  0.188901  0.042539  1.000000
+    240   1      4   0   0     6    18.205   10154.358    70594.4    70164.3    356.530  18.205   0.000   0.000  1.358096  0.173347  0.041225  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    241   1      2   2   2     8    20.793   11725.240        0.0        0.0      0.000  20.793   0.000   0.000  1.568193  0.150091  0.039820  1.000000
-    242   1      3   1   1    24    21.659   12246.614   312727.3   312049.6    854.916  21.659   0.000   0.000  1.637924  0.143701  0.039532  1.000000
-    243   1      2   2   0    12    25.188   14360.429   607733.1   601663.2   1585.622  25.188   0.000   0.000  1.920637  0.122549  0.038819  1.000000
-    244   1      1   1   1     8    40.558   23450.480  1508103.4  1534576.2   7018.347  40.558   0.000   0.000  3.136387  0.075045  0.038130  1.000000
+    241   1      2   2   2     8    20.796   11725.242        0.0        0.0      0.000  20.796   0.000   0.000  1.568194  0.150123  0.039823  1.000000
+    242   1      3   1   1    24    21.662   12246.616   312721.0   312049.3    854.915  21.662   0.000   0.000  1.637925  0.143732  0.039535  1.000000
+    243   1      2   2   0    12    25.192   14360.431   607720.4   601662.9   1585.621  25.192   0.000   0.000  1.920637  0.122575  0.038821  1.000000
+    244   1      1   1   1     8    40.564   23450.484  1508071.9  1534575.9   7018.346  40.564   0.000   0.000  3.136387  0.075062  0.038133  1.000000
 
      -----------------------------------------------------
      BRAGG R-Factors and weight fractions for Pattern #  1
      -----------------------------------------------------
 
  => Phase:  1     Standard-Si
- => Bragg R-factor:   2.04       Vol:  160.314( 0.004)  Fract(%):  100.00( 0.43)
+ => Bragg R-factor:   2.04       Vol:  160.314( 0.000)  Fract(%):  100.00( 0.00)
  => Rf-factor=  13.9             ATZ:      129420.289   Brindley:  1.0000
 
      -----------------------------------------------------------------
       SYMBOLIC NAMES AND FINAL VALUES AND SIGMA OF REFINED PARAMETERS:
      -----------------------------------------------------------------
 
-      ->  Parameter number    1 :                                     Scale_ph1_pat1    0.66202003    ( +/-    0.20237621E-02 )
-      ->  Parameter number    2 :                                         Bck_0_pat1     154.31580    ( +/-    0.66899031     )
-      ->  Parameter number    3 :                                         Bck_1_pat1     1.3400606    ( +/-     1.1745846     )
-      ->  Parameter number    4 :                                         Bck_2_pat1     37.000099    ( +/-     1.0289613     )
-      ->  Parameter number    5 :                                    Cell_A_ph1_pat1     5.4323812    ( +/-    0.82761078E-04 )
-      ->  Parameter number    6 :                                         Bck_3_pat1     12.332088    ( +/-    0.94643277     )
-      ->  Parameter number    7 :                                         Bck_4_pat1     17.706024    ( +/-    0.92149162     )
-      ->  Parameter number    8 :                                         Bck_5_pat1     4.7848639    ( +/-    0.76594722     )
-      ->  Parameter number    9 :                                         Bck_6_pat1     6.8079267    ( +/-    0.53146529     )
-      ->  Parameter number   10 :                                          Zero_pat1    -8.5720673    ( +/-    0.88809751E-01 )
-      ->  Parameter number   11 :                                        Biso_Si_ph1    0.54095590    ( +/-    0.47808220E-02 )
-      ->  Parameter number   12 :                                     Sig-1_ph1_pat1     29.639063    ( +/-    0.99631596     )
-      ->  Parameter number   13 :                                     Sig-0_ph1_pat1     5.0792775    ( +/-    0.48728973     )
-      ->  Parameter number   14 :                                     Beta0_ph1_pat1    0.38017113E-01( +/-    0.21114276E-03 )
-      ->  Parameter number   15 :                                    Alpha1_ph1_pat1    0.23536757    ( +/-    0.51787831E-02 )
-      ->  Parameter number   16 :                                     Beta1_ph1_pat1    0.10902665E-01( +/-    0.20632362E-03 )
 
  ------------------------------------------------------------------
  => Number of bytes for floating point variables: 4
  => Dimensions of dynamic allocated arrays in this run of FullProf:
  ------------------------------------------------------------------
 
- => Total approximate array memory (dynamic + static): 647074863 bytes
+ => Total approximate array memory (dynamic + static): 132451053 bytes
 
     MaxPOINT=    80000 Max.num. of points(+int. Inten.)/diffraction pattern       
     MaxREFLT=    25000 Max.num. of reflections/diffraction pattern               
@@ -2671,7 +1074,7 @@
     NGL     =      400 Max.num. of global parameters/diffraction pattern          
     N_LINC  =       50 Max.num. of global linear restraints                        
     NAT_P   =       80 Max.num. of atomic parameters per atom                     
-    NCONST  =      500 Max.num. of slack constraints per phase                    
+    NCONST  =     3500 Max.num. of slack constraints per phase                    
     N_SPE   =       30 Max.num. of different chemical species                     
     N_FORM  =       60 Max.num. of scattering factor values in a table            
     NPR     =      150 Max.num. of points defining a numerical profile            
@@ -2680,7 +1083,7 @@
     NSOL    =       10 Max.num. of solutions to be stored in Montecarlo searchs   
 
  
-              CPU Time:     2.072 seconds
-                            0.035 minutes
+              CPU Time:     0.258 seconds
+                            0.004 minutes
 
- => Run finished at:     Date: 08/06/2026  Time: 14:28:38.919                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:03.842                              
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.pcr b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.pcr
index 21bcf6127..ace123edf 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.pcr
+++ b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.pcr
@@ -1,11 +1,11 @@
 COMM  Backscattering Bank (2theta= 144.845)  Si- Argonne
-! Current global Chi2 (Bragg contrib.) =      4.412    
+! Current global Chi2 (Bragg contrib.) =      4.393    
 ! Files => DAT-file: arg_si.dat,  PCR-file: arg_si
 !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut
   -1   9   1  -4   2   0   0   0   0   0   0   0   0   0   0   1   0   0   1
 !
 !Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana
-   2   0   1   0   1   0   4   0   0   3  12   1   1   1   2   0   0
+   2   0   1   0   1   0   4   0   0  -3  12   1   1   1   2   0   0
 !
 !  Bkpos        Wdt    Iabscor for Pattern#  1
      150.000   30.00     2
@@ -17,20 +17,20 @@ COMM  Backscattering Bank (2theta= 144.845)  Si- Argonne
     29999.00    40000.00
 ! 
 !
-      16    !Number of refined parameters
+       2    !Number of refined parameters
 !
 !    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  1
-    -8.57228  101.00  7476.91016    0.00    -1.54000    0.00     0.00000    0.00   144.845
+    -8.56733   0.00  7476.91016    0.00    -1.54000    0.00     0.00000    0.00   144.845
 !
 !   Background coefficients/codes  for Pattern#  1  (Fourier cosine series, up to 18 coefficients)
      154.316       1.340      37.000      12.332      17.706       4.785
-       21.00       31.00       41.00       61.00       71.00       81.00
+        0.00        0.00        0.00        0.00        0.00        0.00
        6.808       0.000       0.000       0.000       0.000       0.000
-       91.00        0.00        0.00        0.00        0.00        0.00
+        0.00        0.00        0.00        0.00        0.00        0.00
        0.000       0.000       0.000       0.000       0.000       0.000
         0.00        0.00        0.00        0.00        0.00        0.00
 !-------------------------------------------------------------------------------
-!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   2.0421
+!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   2.0355
 !-------------------------------------------------------------------------------
 Standard-Si
 !
@@ -41,23 +41,23 @@ Standard-Si
 F d -3 m                 <--Space group symbol
 !Atom   Typ       X        Y        Z     Biso       Occ     In Fin N_t Spc /Codes
 Si     SI      0.12500  0.12500  0.12500  0.54095   1.00000   0   0   0    0  # color green conn Si Si 0 2.5
-                  0.00     0.00     0.00   111.00      0.00
+                  0.00     0.00     0.00     0.00      0.00
 !-------> Profile Parameters for Pattern #   1  ----> Phase #   1
 !  Scale          Extinc       Bov      Str1      Str2      Str3    Strain-Mode
- 0.6620185        0.0000    0.0000    0.0000    0.0000    0.0000         0
-      11.00000      0.00      0.00      0.00      0.00      0.00
+ 0.6620058        0.0000    0.0000    0.0000    0.0000    0.0000         0
+      0.00000      0.00      0.00      0.00      0.00      0.00
 !      Sigma-2       Sigma-1       Sigma-0       Sigma-Q   Iso-GStrain     Iso-GSize     Ani-LSize   Size-Model
         0.0000       29.6492        5.0790        0.0000        0.0000        0.0000        0.0000       0
-          0.00        121.00        131.00          0.00          0.00          0.00          0.00
+          0.00          0.00          0.00          0.00          0.00          0.00          0.00
 !      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
         0.0000        0.0000        0.0000        0.0000        0.0000
           0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
-   5.432381   5.432381   5.432381  90.000000  90.000000  90.000000   # multiple box -1.15 1.15 -1.15 1.15 -0.15 1.15
-   51.00000   51.00000   51.00000    0.00000    0.00000    0.00000
+!     a          b         c        alpha      beta       gamma      # Cell Info
+   5.432382   5.432382   5.432382  90.000000  90.000000  90.000000   # multiple box -1.15 1.15 -1.15 1.15 -0.15 1.15
+    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 !      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
     0.000000    0.000000    0.000000    0.038020    0.235422    0.010902    0.000000    0.000000
-        0.00        0.00        0.00      141.00      151.00      161.00        0.00        0.00
+        0.00        0.00        0.00        0.00        0.00        0.00        0.00        0.00
 !Absorption correction parameters
    0.00000    0.00   0.00000    0.00            ABS: ABSCOR1  ABSCOR2
 !  2Th1/TOF1    2Th2/TOF2  Pattern to plot
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.prf b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.prf
index 938fbe24f..8b95d0ff8 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.prf
+++ b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.prf
@@ -1,6036 +1,5606 @@
-  Backscattering Bank (2theta= 144.845)  Si- Argonne   Chi2:  3.0281  CELL:    5.43238   5.43238   5.43238   90.0000   90.0000   90.0000   SPGR: F d -3 m               TEMP:      0.00
-  1   5600     1.00000     1.00000    -8.57207  7476.91016    -1.54000    1
-   430     0     2
+  Backscattering Bank (2theta= 144.845)  Si- Argonne    CELL:    5.43238   5.43238   5.43238   90.0000   90.0000   90.0000   SPGR: F d -3 m               TEMP:      0.00
+  1   5600     1.00000     1.00000    -8.56733  7476.91016    -1.54000    1
+  430    0    2
     1000.09998    2000.00000
    29999.00000   40000.00000
- T.O.F.	Yobs	Ycal	Yobs-Ycal	Backg	Posr	(hkl)	K
-   2000.0000	   213.8	   219.2	 -5322.7	   185.0
-   2005.0000	   213.8	   217.3	 -5326.2	   184.9
-   2010.0000	   210.1	   216.3	 -5328.9	   184.8
-   2015.0000	   213.3	   217.3	 -5326.8	   184.7
-   2020.0000	   211.9	   217.5	 -5328.3	   184.6
-   2025.0000	   212.8	   216.6	 -5326.5	   184.6
-   2030.0000	   208.3	   217.8	 -5332.2	   184.5
-   2035.0000	   214.4	   223.3	 -5331.6	   184.4
-   2040.0000	   217.0	   223.1	 -5328.8	   184.3
-   2045.0000	   220.6	   220.8	 -5323.0	   184.2
-   2050.0000	   216.2	   216.2	 -5322.7	   184.1
-   2055.0000	   214.3	   220.2	 -5328.6	   184.0
-   2060.0000	   218.5	   217.4	 -5321.6	   183.9
-   2065.0000	   217.8	   216.6	 -5321.5	   183.9
-   2070.0000	   214.5	   215.0	 -5323.2	   183.8
-   2075.0000	   214.9	   217.3	 -5325.1	   183.7
-   2080.0000	   215.1	   218.6	 -5326.2	   183.6
-   2085.0000	   220.2	   224.3	 -5326.8	   183.5
-   2090.0000	   221.8	   217.3	 -5318.2	   183.4
-   2095.0000	   220.5	   217.6	 -5319.8	   183.3
-   2100.0000	   224.8	   224.7	 -5322.6	   183.2
-   2105.0000	   227.5	   215.8	 -5311.0	   183.1
-   2110.0000	   216.7	   213.8	 -5319.8	   183.1
-   2115.0000	   213.3	   214.1	 -5323.5	   183.0
-   2120.0000	   215.6	   218.1	 -5325.2	   182.9
-   2125.0000	   224.9	   220.1	 -5317.9	   182.8
-   2130.0000	   226.4	   227.6	 -5323.9	   182.7
-   2135.0000	   235.6	   221.3	 -5308.4	   182.6
-   2140.0000	   218.7	   214.3	 -5318.3	   182.5
-   2145.0000	   220.7	   219.1	 -5321.1	   182.4
-   2150.0000	   225.7	   217.2	 -5314.2	   182.3
-   2155.0000	   221.0	   216.5	 -5318.3	   182.3
-   2160.0000	   215.9	   214.2	 -5321.0	   182.2
-   2165.0000	   216.0	   214.1	 -5320.8	   182.1
-   2170.0000	   218.5	   221.5	 -5325.7	   182.0
-   2175.0000	   226.7	   220.6	 -5316.6	   181.9
-   2180.0000	   226.1	   231.8	 -5328.4	   181.8
-   2185.0000	   229.0	   219.8	 -5313.5	   181.7
-   2190.0000	   220.4	   213.7	 -5316.1	   181.6
-   2195.0000	   219.7	   222.8	 -5325.8	   181.5
-   2200.0000	   224.6	   220.5	 -5318.6	   181.4
-   2205.0000	   216.0	   220.0	 -5326.7	   181.3
-   2210.0000	   221.4	   216.9	 -5318.2	   181.2
-   2215.0000	   214.5	   212.4	 -5320.6	   181.2
-   2220.0000	   209.0	   215.7	 -5329.4	   181.1
-   2225.0000	   220.7	   218.2	 -5320.2	   181.0
-   2230.0000	   215.0	   217.4	 -5325.1	   180.9
-   2235.0000	   216.3	   220.4	 -5326.9	   180.8
-   2240.0000	   207.5	   212.6	 -5327.8	   180.7
-   2245.0000	   206.8	   213.3	 -5329.2	   180.6
-   2250.0000	   216.7	   221.5	 -5327.5	   180.5
-   2255.0000	   202.1	   216.2	 -5336.8	   180.4
-   2260.0000	   208.9	   216.2	 -5330.0	   180.3
-   2265.0000	   216.0	   213.8	 -5320.5	   180.2
-   2270.0000	   210.7	   211.3	 -5323.3	   180.1
-   2275.0000	   206.2	   217.6	 -5334.1	   180.0
-   2280.0000	   225.4	   228.5	 -5325.8	   179.9
-   2285.0000	   222.2	   217.0	 -5317.5	   179.9
-   2290.0000	   219.0	   223.0	 -5326.7	   179.8
-   2295.0000	   217.0	   214.5	 -5320.2	   179.7
-   2300.0000	   216.1	   210.7	 -5317.3	   179.6
-   2305.0000	   208.8	   214.7	 -5328.6	   179.5
-   2310.0000	   223.2	   219.8	 -5319.3	   179.4
-   2315.0000	   216.5	   213.3	 -5319.5	   179.3
-   2320.0000	   221.3	   216.9	 -5318.3	   179.2
-   2325.0000	   216.1	   212.3	 -5318.9	   179.1
-   2330.0000	   209.5	   210.3	 -5323.5	   179.0
-   2335.0000	   218.1	   219.2	 -5323.8	   178.9
-   2340.0000	   245.6	   240.0	 -5317.1	   178.8
-   2345.0000	   244.2	   222.1	 -5300.6	   178.7
-   2350.0000	   241.4	   243.4	 -5324.7	   178.6
-   2355.0000	   259.1	   232.5	 -5296.1	   178.5
-   2360.0000	   232.9	   210.6	 -5300.4	   178.4
-   2365.0000	   227.8	   210.9	 -5305.8	   178.3
-   2370.0000	   226.8	   223.1	 -5319.0	   178.2
-   2375.0000	   230.4	   220.0	 -5312.3	   178.1
-   2380.0000	   224.0	   214.9	 -5313.6	   178.0
-   2385.0000	   226.3	   221.8	 -5318.2	   177.9
-   2390.0000	   218.9	   211.3	 -5315.1	   177.9
-   2395.0000	   214.4	   208.7	 -5317.0	   177.8
-   2400.0000	   216.1	   212.1	 -5318.7	   177.7
-   2405.0000	   218.6	   222.6	 -5326.7	   177.6
-   2410.0000	   228.0	   214.3	 -5309.0	   177.5
-   2415.0000	   221.5	   220.2	 -5321.4	   177.4
-   2420.0000	   236.4	   225.5	 -5311.8	   177.3
-   2425.0000	   223.8	   210.3	 -5309.2	   177.2
-   2430.0000	   214.3	   208.2	 -5316.6	   177.1
-   2435.0000	   212.4	   215.2	 -5325.5	   177.0
-   2440.0000	   236.3	   234.6	 -5321.0	   176.9
-   2445.0000	   229.4	   217.8	 -5311.1	   176.8
-   2450.0000	   216.4	   219.5	 -5325.8	   176.7
-   2455.0000	   236.0	   228.5	 -5315.2	   176.6
-   2460.0000	   228.8	   210.9	 -5304.8	   176.5
-   2465.0000	   220.3	   207.3	 -5309.7	   176.4
-   2470.0000	   215.2	   208.7	 -5316.2	   176.3
-   2475.0000	   215.3	   217.5	 -5325.0	   176.2
-   2480.0000	   221.5	   214.8	 -5316.0	   176.1
-   2485.0000	   215.9	   218.6	 -5325.4	   176.0
-   2490.0000	   247.2	   256.2	 -5331.7	   175.9
-   2495.0000	   252.4	   229.4	 -5299.8	   175.8
-   2500.0000	   223.3	   207.7	 -5307.1	   175.7
-   2505.0000	   219.3	   207.0	 -5310.4	   175.6
-   2510.0000	   213.1	   215.9	 -5325.5	   175.5
-   2515.0000	   235.9	   233.8	 -5320.6	   175.4
-   2520.0000	   228.2	   214.5	 -5309.0	   175.3
-   2525.0000	   209.0	   207.7	 -5321.4	   175.2
-   2530.0000	   217.8	   209.5	 -5314.4	   175.1
-   2535.0000	   205.4	   206.7	 -5324.1	   175.0
-   2540.0000	   208.3	   205.7	 -5320.1	   174.9
-   2545.0000	   207.1	   206.9	 -5322.5	   174.8
-   2550.0000	   219.5	   225.4	 -5328.7	   174.7
-   2555.0000	   257.3	   260.0	 -5325.4	   174.6
-   2560.0000	   243.2	   223.0	 -5302.5	   174.5
-   2565.0000	   232.1	   225.7	 -5316.3	   174.4
-   2570.0000	   270.4	   270.3	 -5322.6	   174.3
-   2575.0000	   257.0	   229.5	 -5295.2	   174.2
-   2580.0000	   218.6	   206.2	 -5310.3	   174.1
-   2585.0000	   212.7	   205.1	 -5315.1	   174.0
-   2590.0000	   209.4	   210.7	 -5324.0	   173.9
-   2595.0000	   231.1	   238.3	 -5329.9	   173.8
-   2600.0000	   233.1	   228.4	 -5318.0	   173.7
-   2605.0000	   220.4	   206.6	 -5308.9	   173.6
-   2610.0000	   205.6	   204.3	 -5321.4	   173.5
-   2615.0000	   205.0	   204.2	 -5321.9	   173.4
-   2620.0000	   200.0	   204.1	 -5326.8	   173.3
-   2625.0000	   199.7	   204.0	 -5327.0	   173.2
-   2630.0000	   200.1	   204.2	 -5326.8	   173.1
-   2635.0000	   197.0	   209.0	 -5334.7	   173.0
-   2640.0000	   213.2	   223.3	 -5332.8	   172.9
-   2645.0000	   212.0	   212.9	 -5323.6	   172.8
-   2650.0000	   204.6	   206.1	 -5324.2	   172.7
-   2655.0000	   213.4	   218.4	 -5327.8	   172.6
-   2660.0000	   223.5	   220.5	 -5319.7	   172.5
-   2665.0000	   206.0	   205.8	 -5322.5	   172.4
-   2670.0000	   203.4	   203.2	 -5322.5	   172.3
-   2675.0000	   204.3	   203.4	 -5321.8	   172.2
-   2680.0000	   202.3	   211.0	 -5331.4	   172.1
-   2685.0000	   237.1	   250.6	 -5336.2	   172.0
-   2690.0000	   253.6	   242.5	 -5311.6	   171.9
-   2695.0000	   229.2	   208.7	 -5302.2	   171.8
-   2700.0000	   221.1	   219.8	 -5321.4	   171.7
-   2705.0000	   260.0	   250.2	 -5312.9	   171.6
-   2710.0000	   242.1	   220.2	 -5300.8	   171.5
-   2715.0000	   221.9	   203.4	 -5304.2	   171.4
-   2720.0000	   214.0	   202.1	 -5310.8	   171.3
-   2725.0000	   212.8	   202.8	 -5312.7	   171.2
-   2730.0000	   211.6	   215.3	 -5326.4	   171.1
-   2735.0000	   249.5	   251.9	 -5325.1	   170.9
-   2740.0000	   251.7	   228.3	 -5299.3	   170.8
-   2745.0000	   226.2	   207.5	 -5304.0	   170.7
-   2750.0000	   234.5	   244.1	 -5332.3	   170.6
-   2755.0000	   307.1	   310.1	 -5325.7	   170.5
-   2760.0000	   284.1	   241.1	 -5279.7	   170.4
-   2765.0000	   237.4	   204.3	 -5289.6	   170.3
-   2770.0000	   221.3	   201.1	 -5302.5	   170.2
-   2775.0000	   221.7	   201.2	 -5302.2	   170.1
-   2780.0000	   216.5	   206.4	 -5312.6	   170.0
-   2785.0000	   233.3	   235.4	 -5324.8	   169.9
-   2790.0000	   248.6	   235.2	 -5309.3	   169.8
-   2795.0000	   223.2	   206.5	 -5306.0	   169.7
-   2800.0000	   212.5	   204.5	 -5314.7	   169.6
-   2805.0000	   223.2	   224.1	 -5323.6	   169.5
-   2810.0000	   239.4	   225.0	 -5308.3	   169.4
-   2815.0000	   218.4	   204.5	 -5308.8	   169.3
-   2820.0000	   203.6	   200.2	 -5319.3	   169.2
-   2825.0000	   205.0	   199.9	 -5317.6	   169.1
-   2830.0000	   201.5	   200.4	 -5321.6	   169.0
-   2835.0000	   206.2	   210.5	 -5327.0	   168.9
-   2840.0000	   236.5	   256.4	 -5342.6	   168.8
-   2845.0000	   266.1	   248.7	 -5305.3	   168.7
-   2850.0000	   235.3	   208.0	 -5295.4	   168.6
-   2855.0000	   217.4	   210.3	 -5315.6	   168.4
-   2860.0000	   262.3	   279.0	 -5339.4	   168.3
-   2865.0000	   326.7	   311.9	 -5307.9	   168.2
-   2870.0000	   255.4	   226.7	 -5294.0	   168.1
-   2875.0000	   223.3	   201.2	 -5300.6	   168.0
-   2880.0000	   218.3	   198.8	 -5303.3	   167.9
-   2885.0000	   201.4	   198.7	 -5320.0	   167.8
-   2890.0000	   200.4	   201.3	 -5323.6	   167.7
-   2895.0000	   209.0	   229.0	 -5342.7	   167.6
-   2900.0000	   264.3	   275.1	 -5333.5	   167.5
-   2905.0000	   248.2	   231.0	 -5305.5	   167.4
-   2910.0000	   218.4	   202.0	 -5306.3	   167.3
-   2915.0000	   205.8	   200.0	 -5316.9	   167.2
-   2920.0000	   207.5	   208.2	 -5323.4	   167.1
-   2925.0000	   206.7	   208.9	 -5324.9	   167.0
-   2930.0000	   202.8	   200.0	 -5319.9	   166.9
-   2935.0000	   197.1	   197.7	 -5323.3	   166.8
-   2940.0000	   192.9	   197.4	 -5327.2	   166.7
-   2945.0000	   192.2	   197.3	 -5327.8	   166.5
-   2950.0000	   188.6	   197.9	 -5332.0	   166.4
-   2955.0000	   192.8	   206.7	 -5336.6	   166.3
-   2960.0000	   211.1	   236.7	 -5348.3	   166.2
-   2965.0000	   219.2	   227.0	 -5330.5	   166.1
-   2970.0000	   198.2	   202.3	 -5326.8	   166.0
-   2975.0000	   194.0	   199.7	 -5328.4	   165.9
-   2980.0000	   205.1	   225.8	 -5343.4	   165.8
-   2985.0000	   264.1	   286.7	 -5345.3	   165.7
-   2990.0000	   253.2	   248.2	 -5317.7	   165.6
-   2995.0000	   219.6	   204.5	 -5307.6	   165.5
-   3000.0000	   200.5	   197.0	 -5319.2	   165.4
-   3005.0000	   197.4	   196.1	 -5321.4	   165.3
-   3010.0000	   191.2	   196.0	 -5327.5	   165.2
-   3015.0000	   194.6	   197.3	 -5325.4	   165.1
-   3020.0000	   190.5	   216.9	 -5349.1	   164.9
-   3025.0000	   266.0	   299.0	 -5355.7	   164.8
-   3030.0000	   294.6	   296.1	 -5324.2	   164.7
-   3035.0000	   241.3	   218.6	 -5300.0	   164.6
-   3040.0000	   216.7	   198.5	 -5304.5	   164.5
-   3045.0000	   202.3	   201.8	 -5322.2	   164.4
-   3050.0000	   222.1	   232.8	 -5333.4	   164.3
-   3055.0000	   244.1	   242.5	 -5321.1	   164.2
-   3060.0000	   216.2	   208.4	 -5314.9	   164.1
-   3065.0000	   203.6	   196.6	 -5315.7	   164.0
-   3070.0000	   201.3	   194.8	 -5316.3	   163.9
-   3075.0000	   196.0	   194.6	 -5321.3	   163.8
-   3080.0000	   196.2	   194.5	 -5321.0	   163.7
-   3085.0000	   190.7	   196.0	 -5328.0	   163.6
-   3090.0000	   199.8	   217.1	 -5340.0	   163.4
-   3095.0000	   280.0	   308.4	 -5351.1	   163.3
-   3100.0000	   313.2	   315.6	 -5325.1	   163.2
-   3105.0000	   250.5	   226.4	 -5298.6	   163.1
-   3110.0000	   227.4	   198.8	 -5294.1	   163.0
-   3115.0000	   209.2	   199.8	 -5313.3	   162.9
-   3120.0000	   222.8	   243.3	 -5343.2	   162.8
-   3125.0000	   297.9	   314.6	 -5339.4	   162.7
-   3130.0000	   277.9	   257.0	 -5301.8	   162.6
-   3135.0000	   227.6	   205.2	 -5300.3	   162.5
-   3140.0000	   208.0	   194.8	 -5309.5	   162.4
-   3145.0000	   201.1	   193.3	 -5314.9	   162.3
-   3150.0000	   193.2	   192.9	 -5322.4	   162.1
-   3155.0000	   189.0	   192.8	 -5326.5	   162.0
-   3160.0000	   187.4	   193.1	 -5328.4	   161.9
-   3165.0000	   182.4	   197.3	 -5337.6	   161.8
-   3170.0000	   208.8	   217.2	 -5331.1	   161.7
-   3175.0000	   212.6	   222.0	 -5332.1	   161.6
-   3180.0000	   203.9	   201.6	 -5320.4	   161.5
-   3185.0000	   189.5	   193.8	 -5327.0	   161.4
-   3190.0000	   186.8	   193.2	 -5329.2	   161.3
-   3195.0000	   190.7	   203.6	 -5335.6	   161.2
-   3200.0000	   230.1	   247.0	 -5339.6	   161.1
-   3205.0000	   244.8	   252.2	 -5330.1	   161.0
-   3210.0000	   226.3	   210.2	 -5306.6	   160.8
-   3215.0000	   204.9	   194.8	 -5312.6	   160.7
-   3220.0000	   196.7	   191.9	 -5317.9	   160.6
-   3225.0000	   189.3	   191.4	 -5324.8	   160.5
-   3230.0000	   187.3	   191.2	 -5326.6	   160.4
-   3235.0000	   193.4	   191.1	 -5320.4	   160.3
-   3240.0000	   192.2	   192.0	 -5322.5	   160.2
-   3245.0000	   199.1	   204.9	 -5328.5	   160.1
-   3250.0000	   259.8	   280.8	 -5343.7	   160.0
-   3255.0000	   334.0	   340.6	 -5329.4	   159.9
-   3260.0000	   284.9	   255.2	 -5293.0	   159.8
-   3265.0000	   226.9	   204.0	 -5299.8	   159.7
-   3270.0000	   203.4	   193.4	 -5312.7	   159.5
-   3275.0000	   201.0	   199.0	 -5320.8	   159.4
-   3280.0000	   240.9	   267.4	 -5349.2	   159.3
-   3285.0000	   389.1	   420.4	 -5354.0	   159.2
-   3290.0000	   382.5	   357.2	 -5297.4	   159.1
-   3295.0000	   261.6	   234.5	 -5295.6	   159.0
-   3300.0000	   224.2	   198.5	 -5297.0	   158.9
-   3305.0000	   210.3	   191.3	 -5303.7	   158.8
-   3310.0000	   206.5	   189.8	 -5306.0	   158.7
-   3315.0000	   197.3	   189.4	 -5314.8	   158.6
-   3320.0000	   190.9	   189.2	 -5321.0	   158.5
-   3325.0000	   188.6	   189.3	 -5323.4	   158.3
-   3330.0000	   188.7	   191.8	 -5325.8	   158.2
-   3335.0000	   209.7	   216.1	 -5329.1	   158.1
-   3340.0000	   267.4	   281.6	 -5336.9	   158.0
-   3345.0000	   264.1	   268.8	 -5327.4	   157.9
-   3350.0000	   218.0	   213.3	 -5318.0	   157.8
-   3355.0000	   200.1	   193.9	 -5316.5	   157.7
-   3360.0000	   195.7	   189.8	 -5316.8	   157.6
-   3365.0000	   193.3	   192.3	 -5321.7	   157.5
-   3370.0000	   203.8	   222.6	 -5341.5	   157.4
-   3375.0000	   271.5	   295.8	 -5347.0	   157.2
-   3380.0000	   280.8	   275.7	 -5317.6	   157.1
-   3385.0000	   229.9	   215.0	 -5307.8	   157.0
-   3390.0000	   199.1	   194.0	 -5317.6	   156.9
-   3395.0000	   195.0	   189.0	 -5316.7	   156.8
-   3400.0000	   188.9	   187.8	 -5321.6	   156.7
-   3405.0000	   185.3	   187.4	 -5324.8	   156.6
-   3410.0000	   187.3	   187.3	 -5322.7	   156.5
-   3415.0000	   179.2	   187.2	 -5330.7	   156.4
-   3420.0000	   180.1	   187.4	 -5330.0	   156.3
-   3425.0000	   190.5	   191.5	 -5323.7	   156.2
-   3430.0000	   211.5	   227.6	 -5338.8	   156.0
-   3435.0000	   305.2	   323.2	 -5340.7	   155.9
-   3440.0000	   313.1	   310.6	 -5320.2	   155.8
-   3445.0000	   241.7	   229.3	 -5310.3	   155.7
-   3450.0000	   202.9	   197.2	 -5317.0	   155.6
-   3455.0000	   201.9	   189.1	 -5309.9	   155.5
-   3460.0000	   195.7	   188.5	 -5315.5	   155.4
-   3465.0000	   192.7	   204.9	 -5334.9	   155.3
-   3470.0000	   277.4	   300.8	 -5346.1	   155.2
-   3475.0000	   387.0	   401.3	 -5337.0	   155.1
-   3480.0000	   317.1	   306.9	 -5312.5	   154.9
-   3485.0000	   236.8	   221.3	 -5307.2	   154.8
-   3490.0000	   212.9	   194.8	 -5304.6	   154.7
-   3495.0000	   198.3	   187.8	 -5312.2	   154.6
-   3500.0000	   192.7	   185.9	 -5315.9	   154.5
-   3505.0000	   188.6	   185.3	 -5319.4	   154.4
-   3510.0000	   180.1	   185.1	 -5327.7	   154.3
-   3515.0000	   187.2	   185.0	 -5320.5	   154.2
-   3520.0000	   180.1	   185.0	 -5327.6	   154.1
-   3525.0000	   178.3	   186.4	 -5330.8	   154.0
-   3530.0000	   179.4	   203.0	 -5346.3	   153.8
-   3535.0000	   274.8	   310.4	 -5358.3	   153.7
-   3540.0000	   442.3	   475.3	 -5355.7	   153.6
-   3545.0000	   383.1	   386.3	 -5325.9	   153.5
-   3550.0000	   275.5	   252.2	 -5299.4	   153.4
-   3555.0000	   222.3	   203.4	 -5303.8	   153.3
-   3560.0000	   200.5	   189.4	 -5311.6	   153.2
-   3565.0000	   187.8	   185.6	 -5320.5	   153.1
-   3570.0000	   179.6	   186.3	 -5329.4	   153.0
-   3575.0000	   198.2	   201.3	 -5325.8	   152.9
-   3580.0000	   227.5	   239.1	 -5334.3	   152.8
-   3585.0000	   227.4	   236.1	 -5331.4	   152.6
-   3590.0000	   197.8	   204.2	 -5329.1	   152.5
-   3595.0000	   185.8	   189.5	 -5326.4	   152.4
-   3600.0000	   179.8	   184.9	 -5327.9	   152.3
-   3605.0000	   173.9	   183.5	 -5332.3	   152.2
-   3610.0000	   170.3	   183.0	 -5335.4	   152.1
-   3615.0000	   167.9	   182.8	 -5337.6	   152.0
-   3620.0000	   166.6	   182.6	 -5338.7	   151.9
-   3625.0000	   161.1	   182.5	 -5344.1	   151.8
-   3630.0000	   160.6	   182.4	 -5344.5	   151.7
-   3635.0000	   161.0	   182.5	 -5344.2	   151.5
-   3640.0000	   169.9	   184.0	 -5336.8	   151.4
-   3645.0000	   178.0	   199.1	 -5343.8	   151.3
-   3650.0000	   236.4	   266.6	 -5352.9	   151.2
-   3655.0000	   313.8	   318.8	 -5327.7	   151.1
-   3660.0000	   255.7	   259.7	 -5326.7	   151.0
-   3665.0000	   209.4	   208.7	 -5322.0	   150.9
-   3670.0000	   189.1	   190.2	 -5323.8	   150.8
-   3675.0000	   183.0	   184.2	 -5323.9	   150.7
-   3680.0000	   177.8	   182.5	 -5327.4	   150.6
-   3685.0000	   176.5	   184.7	 -5330.9	   150.4
-   3690.0000	   196.1	   211.4	 -5338.0	   150.3
-   3695.0000	   322.6	   341.6	 -5341.7	   150.2
-   3700.0000	   452.4	   472.5	 -5342.8	   150.1
-   3705.0000	   358.6	   365.6	 -5329.7	   150.0
-   3710.0000	   258.8	   249.2	 -5313.1	   149.9
-   3715.0000	   224.3	   203.7	 -5302.1	   149.8
-   3720.0000	   198.0	   188.2	 -5312.9	   149.7
-   3725.0000	   196.3	   182.9	 -5309.3	   149.6
-   3730.0000	   180.6	   181.1	 -5323.2	   149.5
-   3735.0000	   172.6	   180.4	 -5330.5	   149.4
-   3740.0000	   172.4	   180.1	 -5330.4	   149.2
-   3745.0000	   169.3	   179.9	 -5333.3	   149.1
-   3750.0000	   179.0	   179.8	 -5323.5	   149.0
-   3755.0000	   171.2	   179.7	 -5331.2	   148.9
-   3760.0000	   172.3	   179.8	 -5330.2	   148.8
-   3765.0000	   167.1	   181.6	 -5337.2	   148.7
-   3770.0000	   174.0	   198.6	 -5347.3	   148.6
-   3775.0000	   257.3	   273.5	 -5338.9	   148.5
-   3780.0000	   337.1	   339.9	 -5325.5	   148.4
-   3785.0000	   264.5	   280.8	 -5339.1	   148.3
-   3790.0000	   212.7	   218.9	 -5328.9	   148.1
-   3795.0000	   197.3	   193.3	 -5318.7	   148.0
-   3800.0000	   179.8	   183.9	 -5326.8	   147.9
-   3805.0000	   175.5	   180.5	 -5327.7	   147.8
-   3810.0000	   185.0	   179.2	 -5316.9	   147.7
-   3815.0000	   171.8	   178.6	 -5329.5	   147.6
-   3820.0000	   158.9	   178.3	 -5342.1	   147.5
-   3825.0000	   166.8	   178.2	 -5334.1	   147.4
-   3830.0000	   173.2	   178.0	 -5327.5	   147.3
-   3835.0000	   176.7	   177.9	 -5323.9	   147.2
-   3840.0000	   174.9	   177.8	 -5325.6	   147.1
-   3845.0000	   165.9	   177.7	 -5334.5	   147.0
-   3850.0000	   165.9	   177.6	 -5334.4	   146.8
-   3855.0000	   168.5	   177.5	 -5331.7	   146.7
-   3860.0000	   173.8	   177.4	 -5326.3	   146.6
-   3865.0000	   168.9	   177.3	 -5331.1	   146.5
-   3870.0000	   172.5	   177.2	 -5327.4	   146.4
-   3875.0000	   169.5	   177.1	 -5330.3	   146.3
-   3880.0000	   167.2	   176.9	 -5332.4	   146.2
-   3885.0000	   179.8	   176.8	 -5319.7	   146.1
-   3890.0000	   173.0	   176.7	 -5326.4	   146.0
-   3895.0000	   171.3	   176.7	 -5328.1	   145.9
-   3900.0000	   170.0	   177.2	 -5330.0	   145.8
-   3905.0000	   180.0	   183.3	 -5326.0	   145.6
-   3910.0000	   215.9	   228.5	 -5335.3	   145.5
-   3915.0000	   375.6	   377.0	 -5324.1	   145.4
-   3920.0000	   446.9	   454.7	 -5330.5	   145.3
-   3925.0000	   338.4	   341.7	 -5326.0	   145.2
-   3930.0000	   249.9	   245.9	 -5318.7	   145.1
-   3935.0000	   216.7	   204.1	 -5310.1	   145.0
-   3940.0000	   195.8	   187.1	 -5314.0	   144.9
-   3945.0000	   191.2	   180.2	 -5311.7	   144.8
-   3950.0000	   182.3	   177.4	 -5317.8	   144.7
-   3955.0000	   176.7	   177.1	 -5323.1	   144.6
-   3960.0000	   183.7	   184.6	 -5323.6	   144.5
-   3965.0000	   231.9	   247.7	 -5338.5	   144.3
-   3970.0000	   501.1	   511.5	 -5333.1	   144.2
-   3975.0000	   778.7	   774.9	 -5318.9	   144.1
-   3980.0000	   596.7	   605.5	 -5331.5	   144.0
-   3985.0000	   383.4	   371.7	 -5311.0	   143.9
-   3990.0000	   283.9	   257.6	 -5296.4	   143.8
-   3995.0000	   240.9	   209.4	 -5291.2	   143.7
-   4000.0000	   221.4	   189.0	 -5290.3	   143.6
-   4005.0000	   201.9	   180.4	 -5301.2	   143.5
-   4010.0000	   196.7	   176.7	 -5302.7	   143.4
-   4015.0000	   185.7	   175.1	 -5312.1	   143.3
-   4020.0000	   179.8	   174.4	 -5317.3	   143.2
-   4025.0000	   185.2	   174.0	 -5311.5	   143.1
-   4030.0000	   161.5	   173.8	 -5335.0	   142.9
-   4035.0000	   165.2	   173.6	 -5331.1	   142.8
-   4040.0000	   173.0	   173.5	 -5323.2	   142.7
-   4045.0000	   167.5	   173.4	 -5328.6	   142.6
-   4050.0000	   167.5	   173.4	 -5328.6	   142.5
-   4055.0000	   163.6	   174.0	 -5333.1	   142.4
-   4060.0000	   162.3	   180.5	 -5340.9	   142.3
-   4065.0000	   203.3	   226.9	 -5346.3	   142.2
-   4070.0000	   381.5	   387.5	 -5328.7	   142.1
-   4075.0000	   505.4	   506.3	 -5323.6	   142.0
-   4080.0000	   386.5	   400.3	 -5336.5	   141.9
-   4085.0000	   281.4	   280.6	 -5321.9	   141.8
-   4090.0000	   233.8	   220.9	 -5309.8	   141.7
-   4095.0000	   210.8	   194.0	 -5305.9	   141.5
-   4100.0000	   195.0	   181.9	 -5309.6	   141.4
-   4105.0000	   184.2	   176.4	 -5314.9	   141.3
-   4110.0000	   176.4	   174.0	 -5320.3	   141.2
-   4115.0000	   180.7	   172.9	 -5314.9	   141.1
-   4120.0000	   176.3	   173.6	 -5320.0	   141.0
-   4125.0000	   176.1	   183.2	 -5329.8	   140.9
-   4130.0000	   235.1	   240.2	 -5327.8	   140.8
-   4135.0000	   377.9	   369.2	 -5314.0	   140.7
-   4140.0000	   386.7	   396.3	 -5332.3	   140.6
-   4145.0000	   294.7	   303.5	 -5331.5	   140.5
-   4150.0000	   229.4	   233.9	 -5327.2	   140.4
-   4155.0000	   204.8	   200.2	 -5318.1	   140.3
-   4160.0000	   189.2	   184.5	 -5318.0	   140.2
-   4165.0000	   187.7	   177.1	 -5312.1	   140.1
-   4170.0000	   171.1	   173.6	 -5325.2	   140.0
-   4175.0000	   175.7	   172.0	 -5319.0	   139.8
-   4180.0000	   169.8	   171.1	 -5324.0	   139.7
-   4185.0000	   162.9	   170.7	 -5330.5	   139.6
-   4190.0000	   175.8	   170.4	 -5317.3	   139.5
-   4195.0000	   161.7	   170.2	 -5331.2	   139.4
-   4200.0000	   162.2	   170.1	 -5330.6	   139.3
-   4205.0000	   166.0	   170.0	 -5326.7	   139.2
-   4210.0000	   157.0	   169.9	 -5335.6	   139.1
-   4215.0000	   154.9	   169.8	 -5337.6	   139.0
-   4220.0000	   163.4	   169.7	 -5329.0	   138.9
-   4225.0000	   159.6	   169.6	 -5332.7	   138.8
-   4230.0000	   160.0	   170.1	 -5332.8	   138.7
-   4235.0000	   171.7	   174.7	 -5325.7	   138.6
-   4240.0000	   188.6	   206.1	 -5340.2	   138.5
-   4245.0000	   327.3	   320.3	 -5315.7	   138.4
-   4250.0000	   434.5	   431.4	 -5319.6	   138.3
-   4255.0000	   357.0	   374.6	 -5340.3	   138.2
-   4260.0000	   265.5	   278.1	 -5335.3	   138.1
-   4265.0000	   212.7	   222.7	 -5332.7	   137.9
-   4270.0000	   200.0	   195.2	 -5317.9	   137.8
-   4275.0000	   180.4	   181.6	 -5323.9	   137.7
-   4280.0000	   176.3	   174.8	 -5321.2	   137.6
-   4285.0000	   175.8	   171.5	 -5318.4	   137.5
-   4290.0000	   157.0	   169.7	 -5335.4	   137.4
-   4295.0000	   159.0	   168.9	 -5332.6	   137.3
-   4300.0000	   165.2	   168.7	 -5326.2	   137.2
-   4305.0000	   162.6	   170.9	 -5331.0	   137.1
-   4310.0000	   176.2	   188.0	 -5334.5	   137.0
-   4315.0000	   266.7	   270.9	 -5326.9	   136.9
-   4320.0000	   437.0	   418.7	 -5304.4	   136.8
-   4325.0000	   429.9	   429.7	 -5322.5	   136.7
-   4330.0000	   295.7	   325.7	 -5352.8	   136.6
-   4335.0000	   239.1	   249.1	 -5332.7	   136.5
-   4340.0000	   202.8	   208.8	 -5328.7	   136.4
-   4345.0000	   180.4	   188.3	 -5330.6	   136.3
-   4350.0000	   179.0	   177.7	 -5321.4	   136.2
-   4355.0000	   171.2	   172.3	 -5323.8	   136.1
-   4360.0000	   161.7	   169.5	 -5330.5	   136.0
-   4365.0000	   165.4	   168.0	 -5325.3	   135.9
-   4370.0000	   156.6	   167.2	 -5333.3	   135.8
-   4375.0000	   160.0	   166.8	 -5329.5	   135.7
-   4380.0000	   162.1	   166.5	 -5327.1	   135.5
-   4385.0000	   147.9	   166.3	 -5341.1	   135.4
-   4390.0000	   158.9	   166.1	 -5329.9	   135.3
-   4395.0000	   151.0	   166.0	 -5337.7	   135.2
-   4400.0000	   162.5	   165.9	 -5326.1	   135.1
-   4405.0000	   150.5	   165.8	 -5338.0	   135.0
-   4410.0000	   153.1	   165.7	 -5335.3	   134.9
-   4415.0000	   148.4	   165.6	 -5339.9	   134.8
-   4420.0000	   159.8	   165.5	 -5328.4	   134.7
-   4425.0000	   165.6	   165.6	 -5322.7	   134.6
-   4430.0000	   167.1	   166.6	 -5322.3	   134.5
-   4435.0000	   166.0	   175.0	 -5331.7	   134.4
-   4440.0000	   214.5	   227.5	 -5335.7	   134.3
-   4445.0000	   453.8	   416.1	 -5285.0	   134.2
-   4450.0000	   648.9	   627.6	 -5301.4	   134.1
-   4455.0000	   551.9	   567.6	 -5338.5	   134.0
-   4460.0000	   380.4	   401.3	 -5343.6	   133.9
-   4465.0000	   284.7	   292.4	 -5330.4	   133.8
-   4470.0000	   231.5	   233.1	 -5324.3	   133.7
-   4475.0000	   210.0	   201.2	 -5314.0	   133.6
-   4480.0000	   191.9	   184.1	 -5314.9	   133.5
-   4485.0000	   190.3	   174.8	 -5307.2	   133.4
-   4490.0000	   177.7	   169.8	 -5314.8	   133.3
-   4495.0000	   168.4	   167.0	 -5321.3	   133.2
-   4500.0000	   162.1	   165.5	 -5326.1	   133.1
-   4505.0000	   162.0	   164.7	 -5325.4	   133.0
-   4510.0000	   162.1	   164.5	 -5325.1	   132.9
-   4515.0000	   162.1	   166.4	 -5327.0	   132.8
-   4520.0000	   170.1	   180.8	 -5333.5	   132.7
-   4525.0000	   245.9	   254.5	 -5331.4	   132.6
-   4530.0000	   452.3	   423.5	 -5293.9	   132.5
-   4535.0000	   512.4	   500.0	 -5310.3	   132.4
-   4540.0000	   372.4	   403.3	 -5353.6	   132.3
-   4545.0000	   275.5	   300.1	 -5347.4	   132.2
-   4550.0000	   222.0	   238.9	 -5339.6	   132.1
-   4555.0000	   205.7	   204.9	 -5321.9	   132.0
-   4560.0000	   187.2	   186.0	 -5321.5	   131.9
-   4565.0000	   180.2	   175.5	 -5318.0	   131.8
-   4570.0000	   176.6	   169.6	 -5315.7	   131.7
-   4575.0000	   162.2	   166.3	 -5326.8	   131.6
-   4580.0000	   152.7	   164.4	 -5334.4	   131.5
-   4585.0000	   156.7	   163.3	 -5329.4	   131.4
-   4590.0000	   156.4	   162.7	 -5329.0	   131.3
-   4595.0000	   154.4	   162.3	 -5330.6	   131.2
-   4600.0000	   148.9	   162.0	 -5335.8	   131.1
-   4605.0000	   151.0	   161.8	 -5333.5	   131.0
-   4610.0000	   157.3	   161.7	 -5327.1	   130.9
-   4615.0000	   155.1	   161.6	 -5329.2	   130.8
-   4620.0000	   147.4	   161.4	 -5336.8	   130.7
-   4625.0000	   147.6	   161.3	 -5336.4	   130.6
-   4630.0000	   153.4	   161.2	 -5330.5	   130.5
-   4635.0000	   145.8	   161.1	 -5338.0	   130.4
-   4640.0000	   148.0	   161.0	 -5335.7	   130.3
-   4645.0000	   156.1	   160.9	 -5327.5	   130.2
-   4650.0000	   154.0	   160.9	 -5329.6	   130.1
-   4655.0000	   152.7	   160.9	 -5330.9	   130.0
-   4660.0000	   156.1	   161.6	 -5328.2	   129.9
-   4665.0000	   147.2	   166.6	 -5342.1	   129.8
-   4670.0000	   188.7	   197.5	 -5331.5	   129.7
-   4675.0000	   345.8	   325.9	 -5302.8	   129.6
-   4680.0000	   585.9	   546.5	 -5283.3	   129.5
-   4685.0000	   607.8	   592.3	 -5307.2	   129.4
-   4690.0000	   414.3	   457.5	 -5365.9	   129.3
-   4695.0000	   309.2	   335.9	 -5349.4	   129.2
-   4700.0000	   247.3	   262.2	 -5337.6	   129.1
-   4705.0000	   218.5	   219.3	 -5323.5	   129.0
-   4710.0000	   196.1	   194.3	 -5320.9	   128.9
-   4715.0000	   181.1	   179.7	 -5321.3	   128.8
-   4720.0000	   177.2	   171.2	 -5316.7	   128.7
-   4725.0000	   156.1	   166.2	 -5332.8	   128.6
-   4730.0000	   164.1	   163.2	 -5321.8	   128.5
-   4735.0000	   148.0	   161.5	 -5336.2	   128.4
-   4740.0000	   154.6	   160.4	 -5328.5	   128.3
-   4745.0000	   151.3	   159.8	 -5331.2	   128.2
-   4750.0000	   157.2	   159.5	 -5325.0	   128.1
-   4755.0000	   154.0	   159.8	 -5328.5	   128.0
-   4760.0000	   155.7	   163.8	 -5330.8	   127.9
-   4765.0000	   175.8	   189.0	 -5335.9	   127.8
-   4770.0000	   314.3	   309.4	 -5317.8	   127.7
-   4775.0000	   680.9	   596.9	 -5238.7	   127.6
-   4780.0000	   812.7	   778.6	 -5288.6	   127.5
-   4785.0000	   614.2	   651.2	 -5359.7	   127.4
-   4790.0000	   412.7	   465.5	 -5375.5	   127.3
-   4795.0000	   317.0	   342.1	 -5347.8	   127.3
-   4800.0000	   257.1	   268.0	 -5333.6	   127.2
-   4805.0000	   220.8	   223.6	 -5325.5	   127.1
-   4810.0000	   202.4	   197.0	 -5317.3	   127.0
-   4815.0000	   188.9	   181.1	 -5314.9	   126.9
-   4820.0000	   186.1	   171.6	 -5308.2	   126.8
-   4825.0000	   179.5	   165.8	 -5309.0	   126.7
-   4830.0000	   157.5	   162.4	 -5327.6	   126.6
-   4835.0000	   159.9	   160.2	 -5323.0	   126.5
-   4840.0000	   159.2	   158.9	 -5322.4	   126.4
-   4845.0000	   155.1	   158.1	 -5325.7	   126.3
-   4850.0000	   148.0	   157.6	 -5332.3	   126.2
-   4855.0000	   151.0	   157.2	 -5328.9	   126.1
-   4860.0000	   146.0	   157.0	 -5333.7	   126.0
-   4865.0000	   149.9	   156.8	 -5329.6	   125.9
-   4870.0000	   143.4	   156.7	 -5336.0	   125.8
-   4875.0000	   147.4	   156.5	 -5331.8	   125.7
-   4880.0000	   152.3	   156.4	 -5326.8	   125.6
-   4885.0000	   150.0	   156.3	 -5329.0	   125.5
-   4890.0000	   148.4	   156.2	 -5330.5	   125.4
-   4895.0000	   147.4	   156.1	 -5331.4	   125.4
-   4900.0000	   146.6	   156.0	 -5332.1	   125.3
-   4905.0000	   140.0	   155.9	 -5338.6	   125.2
-   4910.0000	   148.6	   155.8	 -5329.9	   125.1
-   4915.0000	   141.0	   155.7	 -5337.4	   125.0
-   4920.0000	   140.2	   155.6	 -5338.2	   124.9
-   4925.0000	   152.0	   155.6	 -5326.3	   124.8
-   4930.0000	   143.9	   155.8	 -5334.6	   124.7
-   4935.0000	   141.3	   157.4	 -5338.8	   124.6
-   4940.0000	   155.6	   166.8	 -5333.9	   124.5
-   4945.0000	   203.6	   209.9	 -5329.0	   124.4
-   4950.0000	   334.4	   313.9	 -5302.2	   124.3
-   4955.0000	   397.3	   389.9	 -5315.3	   124.2
-   4960.0000	   327.1	   353.6	 -5349.2	   124.1
-   4965.0000	   254.5	   285.3	 -5353.5	   124.0
-   4970.0000	   221.9	   236.4	 -5337.2	   124.0
-   4975.0000	   197.5	   205.6	 -5330.8	   123.9
-   4980.0000	   168.8	   186.4	 -5340.3	   123.8
-   4985.0000	   174.3	   174.3	 -5322.7	   123.7
-   4990.0000	   173.5	   166.8	 -5316.0	   123.6
-   4995.0000	   158.5	   162.0	 -5326.2	   123.5
-   5000.0000	   156.7	   159.0	 -5325.0	   123.4
-   5005.0000	   156.8	   157.1	 -5323.0	   123.3
-   5010.0000	   148.9	   155.9	 -5329.7	   123.2
-   5015.0000	   158.0	   155.1	 -5319.8	   123.1
-   5020.0000	   145.7	   154.5	 -5331.5	   123.0
-   5025.0000	   154.9	   154.2	 -5322.0	   122.9
-   5030.0000	   143.2	   153.9	 -5333.4	   122.9
-   5035.0000	   148.4	   153.7	 -5328.0	   122.8
-   5040.0000	   150.0	   153.6	 -5326.3	   122.7
-   5045.0000	   155.4	   153.6	 -5320.9	   122.6
-   5050.0000	   142.2	   154.5	 -5335.1	   122.5
-   5055.0000	   158.0	   160.1	 -5324.8	   122.4
-   5060.0000	   192.7	   184.3	 -5314.3	   122.3
-   5065.0000	   252.4	   240.2	 -5310.5	   122.2
-   5070.0000	   296.7	   280.4	 -5306.4	   122.1
-   5075.0000	   259.9	   262.1	 -5324.9	   122.0
-   5080.0000	   220.0	   226.3	 -5329.0	   122.0
-   5085.0000	   194.2	   199.8	 -5328.3	   121.9
-   5090.0000	   174.5	   182.7	 -5330.9	   121.8
-   5095.0000	   171.5	   171.8	 -5323.0	   121.7
-   5100.0000	   160.3	   164.7	 -5327.1	   121.6
-   5105.0000	   160.0	   160.2	 -5322.9	   121.5
-   5110.0000	   167.5	   157.2	 -5312.4	   121.4
-   5115.0000	   151.6	   155.3	 -5326.4	   121.3
-   5120.0000	   157.4	   154.1	 -5319.4	   121.2
-   5125.0000	   150.9	   153.2	 -5325.0	   121.1
-   5130.0000	   150.9	   152.7	 -5324.5	   121.1
-   5135.0000	   145.5	   152.3	 -5329.5	   121.0
-   5140.0000	   147.3	   152.0	 -5327.4	   120.9
-   5145.0000	   149.0	   151.8	 -5325.5	   120.8
-   5150.0000	   149.1	   151.6	 -5325.2	   120.7
-   5155.0000	   151.2	   151.5	 -5323.0	   120.6
-   5160.0000	   146.6	   151.3	 -5327.4	   120.5
-   5165.0000	   152.0	   151.2	 -5321.9	   120.4
-   5170.0000	   141.3	   151.1	 -5332.5	   120.4
-   5175.0000	   141.9	   151.0	 -5331.8	   120.3
-   5180.0000	   145.3	   150.9	 -5328.3	   120.2
-   5185.0000	   146.8	   150.9	 -5326.8	   120.1
-   5190.0000	   137.9	   150.8	 -5335.6	   120.0
-   5195.0000	   146.6	   150.7	 -5326.8	   119.9
-   5200.0000	   146.0	   150.6	 -5327.3	   119.8
-   5205.0000	   146.5	   150.5	 -5326.7	   119.7
-   5210.0000	   145.9	   150.4	 -5327.2	   119.7
-   5215.0000	   141.2	   150.3	 -5331.8	   119.6
-   5220.0000	   144.6	   150.2	 -5328.3	   119.5
-   5225.0000	   142.7	   150.2	 -5330.2	   119.4
-   5230.0000	   146.3	   150.1	 -5326.5	   119.3
-   5235.0000	   144.2	   150.0	 -5328.5	   119.2
-   5240.0000	   151.5	   149.9	 -5321.1	   119.1
-   5245.0000	   147.7	   149.9	 -5324.9	   119.1
-   5250.0000	   152.5	   150.0	 -5320.2	   119.0
-   5255.0000	   154.1	   151.2	 -5319.9	   118.9
-   5260.0000	   161.9	   158.0	 -5318.9	   118.8
-   5265.0000	   175.9	   193.2	 -5340.0	   118.7
-   5270.0000	   363.7	   341.1	 -5300.1	   118.6
-   5275.0000	   814.7	   699.4	 -5207.4	   118.5
-   5280.0000	  1137.7	  1017.0	 -5202.1	   118.5
-   5285.0000	   957.3	   958.5	 -5323.9	   118.4
-   5290.0000	   665.7	   725.6	 -5382.7	   118.3
-   5295.0000	   490.7	   534.5	 -5366.5	   118.2
-   5300.0000	   377.6	   405.3	 -5350.4	   118.1
-   5305.0000	   321.0	   319.3	 -5321.0	   118.0
-   5310.0000	   267.7	   262.1	 -5317.1	   117.9
-   5315.0000	   238.6	   224.0	 -5308.1	   117.9
-   5320.0000	   215.3	   198.7	 -5306.1	   117.8
-   5325.0000	   194.4	   181.8	 -5310.1	   117.7
-   5330.0000	   176.5	   170.5	 -5316.7	   117.6
-   5335.0000	   175.9	   163.0	 -5309.8	   117.5
-   5340.0000	   169.6	   158.0	 -5311.1	   117.4
-   5345.0000	   162.4	   154.6	 -5314.9	   117.4
-   5350.0000	   155.8	   152.4	 -5319.3	   117.3
-   5355.0000	   160.8	   150.8	 -5312.7	   117.2
-   5360.0000	   155.3	   149.8	 -5317.2	   117.1
-   5365.0000	   145.4	   149.1	 -5326.4	   117.0
-   5370.0000	   151.7	   148.6	 -5319.6	   116.9
-   5375.0000	   149.6	   148.2	 -5321.3	   116.9
-   5380.0000	   144.2	   147.9	 -5326.4	   116.8
-   5385.0000	   145.2	   147.8	 -5325.3	   116.7
-   5390.0000	   159.1	   148.1	 -5311.7	   116.6
-   5395.0000	   146.8	   150.5	 -5326.4	   116.5
-   5400.0000	   167.3	   162.7	 -5318.1	   116.5
-   5405.0000	   206.8	   222.7	 -5338.6	   116.4
-   5410.0000	   497.0	   458.4	 -5284.1	   116.3
-   5415.0000	  1148.0	   986.8	 -5161.5	   116.2
-   5420.0000	  1541.8	  1422.8	 -5203.7	   116.1
-   5425.0000	  1333.8	  1330.9	 -5319.8	   116.0
-   5430.0000	   924.9	  1004.1	 -5401.9	   116.0
-   5435.0000	   673.8	   732.3	 -5381.2	   115.9
-   5440.0000	   501.6	   544.6	 -5365.7	   115.8
-   5445.0000	   411.6	   416.9	 -5328.0	   115.7
-   5450.0000	   345.3	   330.2	 -5307.6	   115.6
-   5455.0000	   281.8	   271.2	 -5312.1	   115.6
-   5460.0000	   252.4	   231.1	 -5301.4	   115.5
-   5465.0000	   220.3	   203.8	 -5306.2	   115.4
-   5470.0000	   205.8	   185.3	 -5302.2	   115.3
-   5475.0000	   185.0	   172.6	 -5310.3	   115.2
-   5480.0000	   180.5	   164.0	 -5306.2	   115.2
-   5485.0000	   168.2	   158.1	 -5312.6	   115.1
-   5490.0000	   159.4	   154.1	 -5317.4	   115.0
-   5495.0000	   153.9	   151.4	 -5320.2	   114.9
-   5500.0000	   160.2	   149.5	 -5312.0	   114.8
-   5505.0000	   152.0	   148.1	 -5318.8	   114.8
-   5510.0000	   151.3	   147.2	 -5318.6	   114.7
-   5515.0000	   152.1	   146.6	 -5317.2	   114.6
-   5520.0000	   152.8	   146.1	 -5316.0	   114.5
-   5525.0000	   139.7	   145.8	 -5328.8	   114.5
-   5530.0000	   147.5	   145.5	 -5320.7	   114.4
-   5535.0000	   143.8	   145.3	 -5324.2	   114.3
-   5540.0000	   142.3	   145.1	 -5325.6	   114.2
-   5545.0000	   149.8	   145.0	 -5317.9	   114.1
-   5550.0000	   144.8	   144.9	 -5322.8	   114.1
-   5555.0000	   141.8	   144.8	 -5325.7	   114.0
-   5560.0000	   141.4	   144.7	 -5326.0	   113.9
-   5565.0000	   143.9	   144.6	 -5323.4	   113.8
-   5570.0000	   143.8	   144.5	 -5323.4	   113.8
-   5575.0000	   141.3	   144.4	 -5325.8	   113.7
-   5580.0000	   139.3	   144.4	 -5327.8	   113.6
-   5585.0000	   139.5	   144.3	 -5327.5	   113.5
-   5590.0000	   143.8	   144.2	 -5323.1	   113.4
-   5595.0000	   143.6	   144.1	 -5323.2	   113.4
-   5600.0000	   144.5	   144.0	 -5322.3	   113.3
-   5605.0000	   139.8	   144.0	 -5326.9	   113.2
-   5610.0000	   128.7	   143.9	 -5337.9	   113.1
-   5615.0000	   138.2	   143.8	 -5328.3	   113.1
-   5620.0000	   140.1	   143.7	 -5326.3	   113.0
-   5625.0000	   136.4	   143.7	 -5330.0	   112.9
-   5630.0000	   138.3	   143.6	 -5328.0	   112.8
-   5635.0000	   142.0	   143.5	 -5324.2	   112.8
-   5640.0000	   142.6	   143.5	 -5323.6	   112.7
-   5645.0000	   137.5	   143.5	 -5328.7	   112.6
-   5650.0000	   147.2	   143.9	 -5319.4	   112.5
-   5655.0000	   144.0	   145.8	 -5324.6	   112.5
-   5660.0000	   155.1	   155.5	 -5323.1	   112.4
-   5665.0000	   198.5	   198.6	 -5322.8	   112.3
-   5670.0000	   381.0	   351.1	 -5292.8	   112.2
-   5675.0000	   737.6	   659.7	 -5244.8	   112.2
-   5680.0000	   982.4	   897.5	 -5237.8	   112.1
-   5685.0000	   852.7	   848.0	 -5318.0	   112.0
-   5690.0000	   629.4	   669.1	 -5362.4	   111.9
-   5695.0000	   459.6	   514.5	 -5377.6	   111.9
-   5700.0000	   375.4	   403.9	 -5351.2	   111.8
-   5705.0000	   316.3	   326.1	 -5332.5	   111.7
-   5710.0000	   268.7	   271.4	 -5325.4	   111.6
-   5715.0000	   245.9	   233.0	 -5309.8	   111.6
-   5720.0000	   218.5	   206.0	 -5310.2	   111.5
-   5725.0000	   204.8	   186.9	 -5304.9	   111.4
-   5730.0000	   180.0	   173.6	 -5316.3	   111.4
-   5735.0000	   180.6	   164.1	 -5306.2	   111.3
-   5740.0000	   171.4	   157.5	 -5308.8	   111.2
-   5745.0000	   160.9	   152.8	 -5314.6	   111.1
-   5750.0000	   163.2	   149.5	 -5309.0	   111.1
-   5755.0000	   161.6	   147.1	 -5308.2	   111.0
-   5760.0000	   148.9	   145.5	 -5319.3	   110.9
-   5765.0000	   150.1	   144.3	 -5316.9	   110.8
-   5770.0000	   148.3	   143.4	 -5317.8	   110.8
-   5775.0000	   145.1	   142.8	 -5320.4	   110.7
-   5780.0000	   145.0	   142.3	 -5320.0	   110.6
-   5785.0000	   141.4	   142.0	 -5323.3	   110.6
-   5790.0000	   146.5	   141.7	 -5317.9	   110.5
-   5795.0000	   141.4	   141.5	 -5322.8	   110.4
-   5800.0000	   135.4	   141.3	 -5328.6	   110.4
-   5805.0000	   139.0	   141.2	 -5324.9	   110.3
-   5810.0000	   138.8	   141.1	 -5325.0	   110.2
-   5815.0000	   135.1	   141.0	 -5328.6	   110.1
-   5820.0000	   134.3	   140.9	 -5329.3	   110.1
-   5825.0000	   137.7	   141.1	 -5326.1	   110.0
-   5830.0000	   143.1	   141.9	 -5321.5	   109.9
-   5835.0000	   139.4	   145.9	 -5329.2	   109.9
-   5840.0000	   153.8	   163.3	 -5332.2	   109.8
-   5845.0000	   232.3	   221.3	 -5311.7	   109.7
-   5850.0000	   355.1	   333.7	 -5301.3	   109.7
-   5855.0000	   439.6	   419.8	 -5302.9	   109.6
-   5860.0000	   409.8	   404.9	 -5317.8	   109.5
-   5865.0000	   322.7	   341.7	 -5341.7	   109.4
-   5870.0000	   267.0	   285.3	 -5341.0	   109.4
-   5875.0000	   233.8	   244.0	 -5332.9	   109.3
-   5880.0000	   203.2	   214.4	 -5333.9	   109.2
-   5885.0000	   181.5	   193.2	 -5334.4	   109.2
-   5890.0000	   182.3	   178.0	 -5318.4	   109.1
-   5895.0000	   172.2	   167.1	 -5317.6	   109.0
-   5900.0000	   156.7	   159.3	 -5325.3	   109.0
-   5905.0000	   149.0	   153.6	 -5327.3	   108.9
-   5910.0000	   150.2	   149.6	 -5322.1	   108.8
-   5915.0000	   148.3	   146.7	 -5321.1	   108.8
-   5920.0000	   146.5	   144.6	 -5320.8	   108.7
-   5925.0000	   133.6	   143.1	 -5332.2	   108.6
-   5930.0000	   140.5	   141.9	 -5324.1	   108.6
-   5935.0000	   131.4	   141.1	 -5332.4	   108.5
-   5940.0000	   130.6	   140.5	 -5332.6	   108.4
-   5945.0000	   142.0	   140.1	 -5320.8	   108.4
-   5950.0000	   131.1	   139.7	 -5331.3	   108.3
-   5955.0000	   135.9	   139.5	 -5326.3	   108.2
-   5960.0000	   138.1	   139.3	 -5323.9	   108.2
-   5965.0000	   142.7	   139.1	 -5319.1	   108.1
-   5970.0000	   136.0	   139.0	 -5325.7	   108.0
-   5975.0000	   127.7	   138.8	 -5333.9	   108.0
-   5980.0000	   130.3	   138.7	 -5331.2	   107.9
-   5985.0000	   128.3	   138.7	 -5333.1	   107.8
-   5990.0000	   136.3	   138.6	 -5325.0	   107.8
-   5995.0000	   132.9	   138.5	 -5328.3	   107.7
-   6000.0000	   137.2	   138.4	 -5323.9	   107.6
-   6005.0000	   134.0	   138.3	 -5327.0	   107.6
-   6010.0000	   133.7	   138.3	 -5327.3	   107.5
-   6015.0000	   133.1	   138.2	 -5327.8	   107.4
-   6020.0000	   132.9	   138.1	 -5327.9	   107.4
-   6025.0000	   140.3	   138.1	 -5320.5	   107.3
-   6030.0000	   131.7	   138.0	 -5329.0	   107.3
-   6035.0000	   137.4	   137.9	 -5323.2	   107.2
-   6040.0000	   134.1	   137.9	 -5326.5	   107.1
-   6045.0000	   134.6	   137.8	 -5325.9	   107.1
-   6050.0000	   132.8	   137.8	 -5327.7	   107.0
-   6055.0000	   140.9	   137.7	 -5319.5	   106.9
-   6060.0000	   143.9	   137.6	 -5316.4	   106.9
-   6065.0000	   133.2	   137.6	 -5327.1	   106.8
-   6070.0000	   135.6	   137.5	 -5324.6	   106.7
-   6075.0000	   137.8	   137.4	 -5322.3	   106.7
-   6080.0000	   139.6	   137.4	 -5320.5	   106.6
-   6085.0000	   133.1	   137.3	 -5326.9	   106.6
-   6090.0000	   136.4	   137.2	 -5323.6	   106.5
-   6095.0000	   139.2	   137.2	 -5320.7	   106.4
-   6100.0000	   130.1	   137.1	 -5329.7	   106.4
-   6105.0000	   129.4	   137.1	 -5330.4	   106.3
-   6110.0000	   131.9	   137.0	 -5327.8	   106.2
-   6115.0000	   144.3	   136.9	 -5315.3	   106.2
-   6120.0000	   137.5	   136.9	 -5322.1	   106.1
-   6125.0000	   135.3	   136.8	 -5324.2	   106.1
-   6130.0000	   140.0	   136.8	 -5319.5	   106.0
-   6135.0000	   137.7	   136.7	 -5321.7	   105.9
-   6140.0000	   135.7	   136.6	 -5323.6	   105.9
-   6145.0000	   135.8	   136.6	 -5323.5	   105.8
-   6150.0000	   135.0	   136.6	 -5324.3	   105.8
-   6155.0000	   139.2	   136.9	 -5320.5	   105.7
-   6160.0000	   139.0	   138.4	 -5322.1	   105.6
-   6165.0000	   148.8	   144.8	 -5318.7	   105.6
-   6170.0000	   162.4	   170.2	 -5330.5	   105.5
-   6175.0000	   272.7	   254.6	 -5304.6	   105.5
-   6180.0000	   478.6	   435.1	 -5279.2	   105.4
-   6185.0000	   651.9	   617.9	 -5288.7	   105.3
-   6190.0000	   662.0	   645.7	 -5306.5	   105.3
-   6195.0000	   539.9	   552.3	 -5335.1	   105.2
-   6200.0000	   421.9	   447.2	 -5348.0	   105.2
-   6205.0000	   344.5	   365.3	 -5343.5	   105.1
-   6210.0000	   302.2	   304.8	 -5325.3	   105.0
-   6215.0000	   264.8	   260.2	 -5318.1	   105.0
-   6220.0000	   228.6	   227.4	 -5321.5	   104.9
-   6225.0000	   217.1	   203.2	 -5308.8	   104.9
-   6230.0000	   192.4	   185.3	 -5315.6	   104.8
-   6235.0000	   176.5	   172.1	 -5318.3	   104.8
-   6240.0000	   172.5	   162.4	 -5312.6	   104.7
-   6245.0000	   158.1	   155.3	 -5319.9	   104.6
-   6250.0000	   156.4	   150.0	 -5316.3	   104.6
-   6255.0000	   151.8	   146.1	 -5317.0	   104.5
-   6260.0000	   144.7	   143.2	 -5321.2	   104.5
-   6265.0000	   139.7	   141.0	 -5324.0	   104.4
-   6270.0000	   155.7	   139.4	 -5306.4	   104.3
-   6275.0000	   139.1	   138.2	 -5321.8	   104.3
-   6280.0000	   138.5	   137.3	 -5321.5	   104.2
-   6285.0000	   137.9	   136.7	 -5321.5	   104.2
-   6290.0000	   131.2	   136.1	 -5327.6	   104.1
-   6295.0000	   131.5	   135.8	 -5327.0	   104.1
-   6300.0000	   128.5	   135.5	 -5329.7	   104.0
-   6305.0000	   129.6	   135.2	 -5328.3	   104.0
-   6310.0000	   138.0	   135.0	 -5319.7	   103.9
-   6315.0000	   134.6	   134.9	 -5323.0	   103.8
-   6320.0000	   127.8	   134.7	 -5329.6	   103.8
-   6325.0000	   139.0	   134.6	 -5318.3	   103.7
-   6330.0000	   128.3	   134.5	 -5328.9	   103.7
-   6335.0000	   136.8	   134.5	 -5320.4	   103.6
-   6340.0000	   128.0	   134.4	 -5329.1	   103.6
-   6345.0000	   130.5	   134.3	 -5326.5	   103.5
-   6350.0000	   141.8	   134.2	 -5315.1	   103.5
-   6355.0000	   130.4	   134.2	 -5326.5	   103.4
-   6360.0000	   137.4	   134.1	 -5319.4	   103.3
-   6365.0000	   137.4	   134.1	 -5319.4	   103.3
-   6370.0000	   135.8	   134.0	 -5321.0	   103.2
-   6375.0000	   143.6	   134.1	 -5313.2	   103.2
-   6380.0000	   134.6	   134.5	 -5322.6	   103.1
-   6385.0000	   147.7	   136.4	 -5311.4	   103.1
-   6390.0000	   158.0	   143.9	 -5308.6	   103.0
-   6395.0000	   177.4	   173.1	 -5318.4	   103.0
-   6400.0000	   289.0	   277.6	 -5311.3	   102.9
-   6405.0000	   637.6	   560.8	 -5245.9	   102.9
-   6410.0000	  1135.5	  1009.3	 -5196.5	   102.8
-   6415.0000	  1368.3	  1302.2	 -5256.7	   102.8
-   6420.0000	  1250.7	  1236.9	 -5308.9	   102.7
-   6425.0000	   988.7	  1005.7	 -5339.7	   102.7
-   6430.0000	   756.9	   790.1	 -5355.9	   102.6
-   6435.0000	   621.9	   624.8	 -5325.6	   102.6
-   6440.0000	   503.1	   500.9	 -5320.5	   102.5
-   6445.0000	   417.2	   408.3	 -5313.8	   102.4
-   6450.0000	   346.5	   338.9	 -5315.1	   102.4
-   6455.0000	   312.4	   287.0	 -5297.3	   102.3
-   6460.0000	   271.4	   248.2	 -5299.5	   102.3
-   6465.0000	   238.2	   219.1	 -5303.6	   102.2
-   6470.0000	   223.0	   197.4	 -5297.1	   102.2
-   6475.0000	   192.2	   181.1	 -5311.6	   102.1
-   6480.0000	   187.5	   168.9	 -5304.1	   102.1
-   6485.0000	   160.0	   159.8	 -5322.5	   102.0
-   6490.0000	   164.0	   152.9	 -5311.6	   102.0
-   6495.0000	   161.8	   147.8	 -5308.7	   101.9
-   6500.0000	   147.3	   143.9	 -5319.3	   101.9
-   6505.0000	   150.3	   141.0	 -5313.4	   101.8
-   6510.0000	   138.1	   138.9	 -5323.5	   101.8
-   6515.0000	   143.8	   137.2	 -5316.1	   101.7
-   6520.0000	   137.1	   136.0	 -5321.6	   101.7
-   6525.0000	   143.9	   135.0	 -5313.8	   101.6
-   6530.0000	   143.2	   134.3	 -5313.8	   101.6
-   6535.0000	   138.4	   133.8	 -5318.1	   101.5
-   6540.0000	   140.2	   133.4	 -5315.9	   101.5
-   6545.0000	   130.7	   133.0	 -5325.0	   101.4
-   6550.0000	   132.1	   132.8	 -5323.4	   101.4
-   6555.0000	   139.2	   132.6	 -5316.1	   101.3
-   6560.0000	   132.6	   132.4	 -5322.5	   101.3
-   6565.0000	   139.0	   132.3	 -5316.0	   101.2
-   6570.0000	   125.2	   132.1	 -5329.7	   101.2
-   6575.0000	   136.9	   132.1	 -5317.9	   101.2
-   6580.0000	   137.8	   132.0	 -5316.9	   101.1
-   6585.0000	   142.9	   131.9	 -5311.7	   101.1
-   6590.0000	   129.2	   131.8	 -5325.3	   101.0
-   6595.0000	   128.6	   131.8	 -5325.9	   101.0
-   6600.0000	   125.3	   131.7	 -5329.1	   100.9
-   6605.0000	   131.3	   131.6	 -5323.1	   100.9
-   6610.0000	   131.3	   131.6	 -5323.0	   100.8
-   6615.0000	   122.1	   131.5	 -5332.1	   100.8
-   6620.0000	   132.1	   131.5	 -5322.1	   100.7
-   6625.0000	   137.4	   131.4	 -5316.7	   100.7
-   6630.0000	   123.9	   131.4	 -5330.2	   100.6
-   6635.0000	   133.2	   131.3	 -5320.9	   100.6
-   6640.0000	   129.3	   131.3	 -5324.7	   100.5
-   6645.0000	   131.6	   131.3	 -5322.4	   100.5
-   6650.0000	   134.4	   131.2	 -5319.5	   100.5
-   6655.0000	   128.9	   131.2	 -5325.0	   100.4
-   6660.0000	   130.4	   131.1	 -5323.4	   100.4
-   6665.0000	   129.7	   131.1	 -5324.1	   100.3
-   6670.0000	   121.4	   131.0	 -5332.3	   100.3
-   6675.0000	   133.3	   131.0	 -5320.4	   100.2
-   6680.0000	   118.6	   130.9	 -5335.0	   100.2
-   6685.0000	   125.5	   130.9	 -5328.1	   100.1
-   6690.0000	   134.0	   130.8	 -5319.5	   100.1
-   6695.0000	   123.5	   130.8	 -5330.0	   100.0
-   6700.0000	   130.8	   130.8	 -5322.7	   100.0
-   6705.0000	   125.3	   130.7	 -5328.1	   100.0
-   6710.0000	   131.2	   130.7	 -5322.2	    99.9
-   6715.0000	   118.7	   130.6	 -5334.6	    99.9
-   6720.0000	   126.6	   130.6	 -5326.7	    99.8
-   6725.0000	   124.4	   130.5	 -5328.8	    99.8
-   6730.0000	   124.8	   130.5	 -5328.4	    99.7
-   6735.0000	   124.2	   130.4	 -5329.0	    99.7
-   6740.0000	   131.2	   130.4	 -5321.9	    99.7
-   6745.0000	   123.2	   130.4	 -5329.9	    99.6
-   6750.0000	   124.8	   130.3	 -5328.2	    99.6
-   6755.0000	   132.0	   130.3	 -5321.0	    99.5
-   6760.0000	   131.5	   130.2	 -5321.4	    99.5
-   6765.0000	   122.4	   130.2	 -5330.5	    99.4
-   6770.0000	   132.0	   130.1	 -5320.9	    99.4
-   6775.0000	   129.3	   130.1	 -5323.5	    99.4
-   6780.0000	   124.5	   130.1	 -5328.3	    99.3
-   6785.0000	   127.1	   130.0	 -5325.6	    99.3
-   6790.0000	   130.6	   130.0	 -5322.1	    99.2
-   6795.0000	   129.8	   129.9	 -5322.8	    99.2
-   6800.0000	   122.0	   129.9	 -5330.6	    99.1
-   6805.0000	   135.9	   129.9	 -5316.7	    99.1
-   6810.0000	   133.8	   129.9	 -5318.8	    99.1
-   6815.0000	   136.5	   129.9	 -5316.2	    99.0
-   6820.0000	   134.0	   130.4	 -5319.1	    99.0
-   6825.0000	   133.2	   131.9	 -5321.4	    98.9
-   6830.0000	   145.5	   137.7	 -5314.9	    98.9
-   6835.0000	   157.5	   158.5	 -5323.7	    98.9
-   6840.0000	   221.0	   230.6	 -5332.3	    98.8
-   6845.0000	   481.0	   445.8	 -5287.5	    98.8
-   6850.0000	   994.4	   896.8	 -5225.1	    98.7
-   6855.0000	  1504.4	  1421.5	 -5239.8	    98.7
-   6860.0000	  1678.1	  1633.0	 -5277.6	    98.7
-   6865.0000	  1479.6	  1471.9	 -5315.0	    98.6
-   6870.0000	  1156.1	  1192.3	 -5358.9	    98.6
-   6875.0000	   922.4	   946.4	 -5346.7	    98.5
-   6880.0000	   739.2	   755.2	 -5338.7	    98.5
-   6885.0000	   625.9	   608.6	 -5305.4	    98.5
-   6890.0000	   517.5	   496.3	 -5301.5	    98.4
-   6895.0000	   431.7	   410.3	 -5301.3	    98.4
-   6900.0000	   353.4	   344.4	 -5313.7	    98.3
-   6905.0000	   295.9	   294.0	 -5320.8	    98.3
-   6910.0000	   260.1	   255.3	 -5317.9	    98.3
-   6915.0000	   237.4	   225.7	 -5311.0	    98.2
-   6920.0000	   212.9	   203.0	 -5312.8	    98.2
-   6925.0000	   191.9	   185.6	 -5316.4	    98.2
-   6930.0000	   176.8	   172.3	 -5318.2	    98.1
-   6935.0000	   169.5	   162.1	 -5315.3	    98.1
-   6940.0000	   152.5	   154.3	 -5324.5	    98.0
-   6945.0000	   154.6	   148.3	 -5316.4	    98.0
-   6950.0000	   154.1	   143.7	 -5312.3	    98.0
-   6955.0000	   133.7	   140.1	 -5329.1	    97.9
-   6960.0000	   140.7	   137.4	 -5319.4	    97.9
-   6965.0000	   131.4	   135.3	 -5326.6	    97.9
-   6970.0000	   133.0	   133.7	 -5323.4	    97.8
-   6975.0000	   133.7	   132.5	 -5321.5	    97.8
-   6980.0000	   132.6	   131.5	 -5321.6	    97.7
-   6985.0000	   130.0	   130.8	 -5323.5	    97.7
-   6990.0000	   131.0	   130.2	 -5321.9	    97.7
-   6995.0000	   136.9	   129.7	 -5315.6	    97.6
-   7000.0000	   137.5	   129.4	 -5314.6	    97.6
-   7005.0000	   129.5	   129.1	 -5322.3	    97.6
-   7010.0000	   129.9	   128.9	 -5321.7	    97.5
-   7015.0000	   125.8	   128.7	 -5325.6	    97.5
-   7020.0000	   132.1	   128.6	 -5319.2	    97.5
-   7025.0000	   134.2	   128.5	 -5317.0	    97.4
-   7030.0000	   124.4	   128.4	 -5326.7	    97.4
-   7035.0000	   131.6	   128.3	 -5319.4	    97.4
-   7040.0000	   132.6	   128.2	 -5318.3	    97.3
-   7045.0000	   123.5	   128.1	 -5327.3	    97.3
-   7050.0000	   127.9	   128.1	 -5322.9	    97.3
-   7055.0000	   127.8	   128.0	 -5322.9	    97.2
-   7060.0000	   129.8	   128.0	 -5320.9	    97.2
-   7065.0000	   125.9	   127.9	 -5324.7	    97.1
-   7070.0000	   130.3	   127.9	 -5320.3	    97.1
-   7075.0000	   129.6	   127.9	 -5321.0	    97.1
-   7080.0000	   130.4	   127.8	 -5320.1	    97.0
-   7085.0000	   132.6	   127.8	 -5317.9	    97.0
-   7090.0000	   130.6	   127.7	 -5319.8	    97.0
-   7095.0000	   124.3	   127.7	 -5326.1	    96.9
-   7100.0000	   136.5	   127.7	 -5313.9	    96.9
-   7105.0000	   127.3	   127.6	 -5323.0	    96.9
-   7110.0000	   125.1	   127.6	 -5325.2	    96.8
-   7115.0000	   129.3	   127.6	 -5321.0	    96.8
-   7120.0000	   133.8	   127.6	 -5316.5	    96.8
-   7125.0000	   130.4	   127.6	 -5319.9	    96.8
-   7130.0000	   131.0	   127.7	 -5319.4	    96.7
-   7135.0000	   133.7	   128.0	 -5317.1	    96.7
-   7140.0000	   133.1	   129.5	 -5319.1	    96.7
-   7145.0000	   149.0	   134.4	 -5308.1	    96.6
-   7150.0000	   159.2	   151.1	 -5314.6	    96.6
-   7155.0000	   201.3	   205.0	 -5326.4	    96.6
-   7160.0000	   356.7	   350.8	 -5316.9	    96.5
-   7165.0000	   693.0	   624.7	 -5254.4	    96.5
-   7170.0000	   972.6	   911.3	 -5261.4	    96.5
-   7175.0000	  1045.9	  1010.6	 -5287.4	    96.4
-   7180.0000	   933.3	   913.5	 -5302.9	    96.4
-   7185.0000	   751.5	   756.0	 -5327.2	    96.4
-   7190.0000	   629.8	   616.7	 -5309.6	    96.3
-   7195.0000	   525.0	   506.8	 -5304.5	    96.3
-   7200.0000	   423.8	   421.6	 -5320.5	    96.3
-   7205.0000	   363.6	   355.4	 -5314.5	    96.3
-   7210.0000	   315.4	   304.1	 -5311.4	    96.2
-   7215.0000	   274.6	   264.3	 -5312.4	    96.2
-   7220.0000	   235.3	   233.5	 -5320.9	    96.2
-   7225.0000	   224.2	   209.5	 -5308.0	    96.1
-   7230.0000	   195.3	   190.9	 -5318.3	    96.1
-   7235.0000	   192.8	   176.5	 -5306.4	    96.1
-   7240.0000	   180.6	   165.3	 -5307.4	    96.0
-   7245.0000	   162.7	   156.7	 -5316.7	    96.0
-   7250.0000	   153.6	   149.9	 -5319.0	    96.0
-   7255.0000	   144.1	   144.7	 -5323.3	    96.0
-   7260.0000	   146.7	   140.6	 -5316.6	    95.9
-   7265.0000	   142.5	   137.5	 -5317.7	    95.9
-   7270.0000	   141.0	   135.0	 -5316.7	    95.9
-   7275.0000	   143.5	   133.1	 -5312.3	    95.8
-   7280.0000	   140.6	   131.6	 -5313.7	    95.8
-   7285.0000	   139.2	   130.5	 -5314.0	    95.8
-   7290.0000	   126.4	   129.5	 -5325.8	    95.8
-   7295.0000	   138.7	   128.8	 -5312.8	    95.7
-   7300.0000	   137.1	   128.3	 -5313.9	    95.7
-   7305.0000	   118.9	   127.8	 -5331.6	    95.7
-   7310.0000	   134.9	   127.5	 -5315.3	    95.6
-   7315.0000	   130.7	   127.2	 -5319.2	    95.6
-   7320.0000	   126.2	   127.0	 -5323.5	    95.6
-   7325.0000	   125.3	   126.8	 -5324.2	    95.6
-   7330.0000	   133.8	   126.7	 -5315.6	    95.5
-   7335.0000	   128.5	   126.6	 -5320.8	    95.5
-   7340.0000	   125.7	   126.5	 -5323.5	    95.5
-   7345.0000	   128.6	   126.4	 -5320.5	    95.5
-   7350.0000	   121.4	   126.3	 -5327.6	    95.4
-   7355.0000	   128.0	   126.3	 -5321.0	    95.4
-   7360.0000	   125.3	   126.2	 -5323.6	    95.4
-   7365.0000	   130.1	   126.2	 -5318.8	    95.4
-   7370.0000	   130.7	   126.1	 -5318.1	    95.3
-   7375.0000	   128.1	   126.1	 -5320.7	    95.3
-   7380.0000	   129.1	   126.1	 -5319.7	    95.3
-   7385.0000	   128.6	   126.0	 -5320.1	    95.2
-   7390.0000	   125.0	   126.0	 -5323.7	    95.2
-   7395.0000	   130.2	   126.0	 -5318.5	    95.2
-   7400.0000	   124.4	   125.9	 -5324.2	    95.2
-   7405.0000	   126.7	   125.9	 -5321.9	    95.1
-   7410.0000	   119.5	   125.9	 -5329.1	    95.1
-   7415.0000	   123.6	   125.9	 -5325.0	    95.1
-   7420.0000	   121.4	   125.8	 -5327.1	    95.1
-   7425.0000	   127.7	   125.8	 -5320.8	    95.0
-   7430.0000	   126.5	   125.8	 -5322.0	    95.0
-   7435.0000	   123.0	   125.8	 -5325.5	    95.0
-   7440.0000	   123.1	   125.7	 -5325.3	    95.0
-   7445.0000	   124.4	   125.7	 -5324.0	    95.0
-   7450.0000	   123.4	   125.7	 -5325.0	    94.9
-   7455.0000	   126.3	   125.7	 -5322.1	    94.9
-   7460.0000	   127.5	   125.6	 -5320.8	    94.9
-   7465.0000	   120.3	   125.6	 -5328.0	    94.9
-   7470.0000	   126.7	   125.6	 -5321.6	    94.8
-   7475.0000	   122.6	   125.6	 -5325.7	    94.8
-   7480.0000	   133.5	   125.5	 -5314.7	    94.8
-   7485.0000	   121.3	   125.5	 -5326.9	    94.8
-   7490.0000	   125.8	   125.5	 -5322.4	    94.7
-   7495.0000	   127.3	   125.5	 -5320.9	    94.7
-   7500.0000	   125.5	   125.4	 -5322.7	    94.7
-   7505.0000	   120.6	   125.4	 -5327.5	    94.7
-   7510.0000	   123.7	   125.4	 -5324.4	    94.6
-   7515.0000	   122.3	   125.4	 -5325.8	    94.6
-   7520.0000	   119.8	   125.4	 -5328.3	    94.6
-   7525.0000	   121.5	   125.3	 -5326.5	    94.6
-   7530.0000	   124.3	   125.3	 -5323.7	    94.6
-   7535.0000	   120.0	   125.3	 -5328.0	    94.5
-   7540.0000	   120.4	   125.3	 -5327.6	    94.5
-   7545.0000	   116.3	   125.2	 -5331.7	    94.5
-   7550.0000	   122.3	   125.2	 -5325.6	    94.5
-   7555.0000	   120.2	   125.2	 -5327.7	    94.5
-   7560.0000	   123.6	   125.2	 -5324.3	    94.4
-   7565.0000	   122.9	   125.2	 -5325.0	    94.4
-   7570.0000	   115.3	   125.1	 -5332.5	    94.4
-   7575.0000	   126.2	   125.1	 -5321.6	    94.4
-   7580.0000	   125.8	   125.1	 -5322.0	    94.3
-   7585.0000	   122.9	   125.1	 -5324.9	    94.3
-   7590.0000	   130.4	   125.1	 -5317.4	    94.3
-   7595.0000	   124.9	   125.0	 -5322.8	    94.3
-   7600.0000	   124.8	   125.0	 -5322.9	    94.3
-   7605.0000	   127.8	   125.0	 -5319.9	    94.2
-   7610.0000	   118.6	   125.0	 -5329.1	    94.2
-   7615.0000	   132.3	   125.0	 -5315.4	    94.2
-   7620.0000	   126.5	   124.9	 -5321.1	    94.2
-   7625.0000	   115.8	   124.9	 -5331.8	    94.2
-   7630.0000	   129.1	   124.9	 -5318.5	    94.1
-   7635.0000	   126.0	   124.9	 -5321.6	    94.1
-   7640.0000	   121.0	   124.9	 -5326.6	    94.1
-   7645.0000	   127.0	   124.8	 -5320.5	    94.1
-   7650.0000	   121.9	   124.8	 -5325.6	    94.1
-   7655.0000	   127.2	   124.8	 -5320.3	    94.0
-   7660.0000	   116.4	   124.8	 -5331.1	    94.0
-   7665.0000	   120.1	   124.8	 -5327.4	    94.0
-   7670.0000	   121.3	   124.7	 -5326.2	    94.0
-   7675.0000	   122.9	   124.7	 -5324.5	    94.0
-   7680.0000	   128.5	   124.7	 -5318.9	    94.0
-   7685.0000	   125.8	   124.7	 -5321.6	    93.9
-   7690.0000	   115.6	   124.7	 -5331.8	    93.9
-   7695.0000	   114.8	   124.7	 -5332.6	    93.9
-   7700.0000	   121.1	   124.6	 -5326.2	    93.9
-   7705.0000	   125.3	   124.6	 -5322.0	    93.9
-   7710.0000	   128.0	   124.6	 -5319.3	    93.8
-   7715.0000	   119.9	   124.6	 -5327.4	    93.8
-   7720.0000	   123.8	   124.6	 -5323.5	    93.8
-   7725.0000	   130.2	   124.5	 -5317.1	    93.8
-   7730.0000	   127.1	   124.5	 -5320.1	    93.8
-   7735.0000	   120.9	   124.5	 -5326.3	    93.8
-   7740.0000	   124.8	   124.5	 -5322.4	    93.7
-   7745.0000	   124.7	   124.5	 -5322.5	    93.7
-   7750.0000	   131.9	   124.5	 -5315.3	    93.7
-   7755.0000	   126.7	   124.5	 -5320.5	    93.7
-   7760.0000	   129.8	   124.6	 -5317.5	    93.7
-   7765.0000	   128.3	   124.9	 -5319.3	    93.7
-   7770.0000	   141.9	   126.0	 -5306.8	    93.6
-   7775.0000	   139.0	   129.3	 -5313.0	    93.6
-   7780.0000	   146.0	   139.6	 -5316.3	    93.6
-   7785.0000	   173.0	   170.9	 -5320.6	    93.6
-   7790.0000	   245.2	   262.7	 -5340.2	    93.6
-   7795.0000	   482.6	   495.4	 -5335.5	    93.6
-   7800.0000	   971.6	   932.6	 -5283.7	    93.5
-   7805.0000	  1503.9	  1444.1	 -5262.9	    93.5
-   7810.0000	  1736.8	  1721.2	 -5307.1	    93.5
-   7815.0000	  1636.6	  1648.9	 -5335.0	    93.5
-   7820.0000	  1415.7	  1399.2	 -5306.3	    93.5
-   7825.0000	  1148.6	  1141.9	 -5316.0	    93.5
-   7830.0000	   938.5	   929.1	 -5313.3	    93.5
-   7835.0000	   777.5	   760.1	 -5305.3	    93.4
-   7840.0000	   642.2	   626.5	 -5307.0	    93.4
-   7845.0000	   533.0	   521.0	 -5310.7	    93.4
-   7850.0000	   448.1	   437.7	 -5312.3	    93.4
-   7855.0000	   374.8	   371.8	 -5319.7	    93.4
-   7860.0000	   311.3	   319.8	 -5331.2	    93.4
-   7865.0000	   279.9	   278.7	 -5321.5	    93.4
-   7870.0000	   243.5	   246.2	 -5325.4	    93.3
-   7875.0000	   225.7	   220.5	 -5317.6	    93.3
-   7880.0000	   203.9	   200.3	 -5319.1	    93.3
-   7885.0000	   186.3	   184.3	 -5320.7	    93.3
-   7890.0000	   175.9	   171.6	 -5318.4	    93.3
-   7895.0000	   163.0	   161.6	 -5321.3	    93.3
-   7900.0000	   148.7	   153.7	 -5327.7	    93.3
-   7905.0000	   152.5	   147.4	 -5317.7	    93.2
-   7910.0000	   148.5	   142.5	 -5316.7	    93.2
-   7915.0000	   146.0	   138.6	 -5315.3	    93.2
-   7920.0000	   143.8	   135.5	 -5314.4	    93.2
-   7925.0000	   140.2	   133.1	 -5315.6	    93.2
-   7930.0000	   141.6	   131.1	 -5312.2	    93.2
-   7935.0000	   134.7	   129.6	 -5317.6	    93.2
-   7940.0000	   138.9	   128.4	 -5312.2	    93.1
-   7945.0000	   130.0	   127.4	 -5320.2	    93.1
-   7950.0000	   126.9	   126.7	 -5322.5	    93.1
-   7955.0000	   130.4	   126.1	 -5318.4	    93.1
-   7960.0000	   130.9	   125.6	 -5317.4	    93.1
-   7965.0000	   134.1	   125.2	 -5313.8	    93.1
-   7970.0000	   132.4	   124.9	 -5315.2	    93.1
-   7975.0000	   129.8	   124.7	 -5317.6	    93.1
-   7980.0000	   130.4	   124.5	 -5316.8	    93.1
-   7985.0000	   125.7	   124.3	 -5321.3	    93.0
-   7990.0000	   126.8	   124.2	 -5320.1	    93.0
-   7995.0000	   135.9	   124.1	 -5310.9	    93.0
-   8000.0000	   133.2	   124.0	 -5313.5	    93.0
-   8005.0000	   127.5	   124.0	 -5319.2	    93.0
-   8010.0000	   135.6	   123.9	 -5311.0	    93.0
-   8015.0000	   123.3	   123.9	 -5323.3	    93.0
-   8020.0000	   135.6	   123.8	 -5310.9	    93.0
-   8025.0000	   135.6	   123.8	 -5310.9	    92.9
-   8030.0000	   126.8	   123.8	 -5319.7	    92.9
-   8035.0000	   131.1	   123.7	 -5315.3	    92.9
-   8040.0000	   126.2	   123.7	 -5320.2	    92.9
-   8045.0000	   131.4	   123.7	 -5315.0	    92.9
-   8050.0000	   125.4	   123.7	 -5321.0	    92.9
-   8055.0000	   130.9	   123.7	 -5315.5	    92.9
-   8060.0000	   126.0	   123.6	 -5320.3	    92.9
-   8065.0000	   135.2	   123.6	 -5311.1	    92.9
-   8070.0000	   126.3	   123.6	 -5320.0	    92.9
-   8075.0000	   128.0	   123.6	 -5318.3	    92.8
-   8080.0000	   125.6	   123.6	 -5320.7	    92.8
-   8085.0000	   129.8	   123.6	 -5316.5	    92.8
-   8090.0000	   123.4	   123.6	 -5322.9	    92.8
-   8095.0000	   120.5	   123.6	 -5325.8	    92.8
-   8100.0000	   125.1	   123.5	 -5321.2	    92.8
-   8105.0000	   127.0	   123.5	 -5319.2	    92.8
-   8110.0000	   131.3	   123.5	 -5314.9	    92.8
-   8115.0000	   123.6	   123.5	 -5322.6	    92.8
-   8120.0000	   130.0	   123.5	 -5316.2	    92.8
-   8125.0000	   131.9	   123.5	 -5314.3	    92.7
-   8130.0000	   123.7	   123.5	 -5322.5	    92.7
-   8135.0000	   123.6	   123.5	 -5322.6	    92.7
-   8140.0000	   132.5	   123.5	 -5313.7	    92.7
-   8145.0000	   122.9	   123.5	 -5323.3	    92.7
-   8150.0000	   132.0	   123.5	 -5314.2	    92.7
-   8155.0000	   125.9	   123.4	 -5320.3	    92.7
-   8160.0000	   127.3	   123.4	 -5318.8	    92.7
-   8165.0000	   133.9	   123.4	 -5312.2	    92.7
-   8170.0000	   131.1	   123.4	 -5315.0	    92.7
-   8175.0000	   123.4	   123.4	 -5322.7	    92.7
-   8180.0000	   129.6	   123.4	 -5316.5	    92.7
-   8185.0000	   132.4	   123.4	 -5313.7	    92.6
-   8190.0000	   135.5	   123.4	 -5310.6	    92.6
-   8195.0000	   133.4	   123.4	 -5312.7	    92.6
-   8200.0000	   127.5	   123.4	 -5318.6	    92.6
-   8205.0000	   139.0	   123.4	 -5307.1	    92.6
-   8210.0000	   142.9	   123.4	 -5303.2	    92.6
-   8215.0000	   137.8	   123.4	 -5308.3	    92.6
-   8220.0000	   155.0	   123.4	 -5291.1	    92.6
-   8225.0000	   151.7	   123.4	 -5294.4	    92.6
-   8230.0000	   153.6	   123.6	 -5292.7	    92.6
-   8235.0000	   153.4	   124.0	 -5293.3	    92.6
-   8240.0000	   160.1	   125.3	 -5288.0	    92.6
-   8245.0000	   165.2	   129.2	 -5286.7	    92.6
-   8250.0000	   170.4	   140.3	 -5292.6	    92.5
-   8255.0000	   182.5	   172.3	 -5312.5	    92.5
-   8260.0000	   250.3	   263.2	 -5335.6	    92.5
-   8265.0000	   477.6	   504.0	 -5349.1	    92.5
-   8270.0000	  1056.5	  1038.1	 -5304.3	    92.5
-   8275.0000	  1920.9	  1897.7	 -5299.5	    92.5
-   8280.0000	  2772.5	  2752.9	 -5303.1	    92.5
-   8285.0000	  3102.0	  3117.4	 -5338.1	    92.5
-   8290.0000	  2898.2	  2915.0	 -5339.5	    92.5
-   8295.0000	  2478.8	  2457.8	 -5301.7	    92.5
-   8300.0000	  2080.7	  2002.1	 -5244.1	    92.5
-   8305.0000	  1657.0	  1623.3	 -5289.1	    92.5
-   8310.0000	  1379.7	  1319.8	 -5262.8	    92.5
-   8315.0000	  1118.0	  1077.6	 -5282.3	    92.5
-   8320.0000	   899.4	   884.4	 -5307.8	    92.5
-   8325.0000	   727.2	   730.4	 -5325.9	    92.5
-   8330.0000	   609.5	   607.5	 -5320.7	    92.5
-   8335.0000	   530.7	   509.5	 -5301.5	    92.4
-   8340.0000	   434.5	   431.3	 -5319.5	    92.4
-   8345.0000	   366.9	   368.9	 -5324.7	    92.4
-   8350.0000	   318.5	   319.2	 -5323.4	    92.4
-   8355.0000	   282.6	   279.5	 -5319.6	    92.4
-   8360.0000	   240.9	   247.9	 -5329.7	    92.4
-   8365.0000	   216.6	   222.6	 -5328.7	    92.4
-   8370.0000	   208.3	   202.5	 -5316.9	    92.4
-   8375.0000	   199.2	   186.4	 -5309.9	    92.4
-   8380.0000	   178.0	   173.6	 -5318.3	    92.4
-   8385.0000	   169.8	   163.4	 -5316.3	    92.4
-   8390.0000	   164.1	   155.2	 -5313.9	    92.4
-   8395.0000	   157.2	   148.7	 -5314.3	    92.4
-   8400.0000	   137.3	   143.6	 -5329.0	    92.4
-   8405.0000	   151.7	   139.4	 -5310.4	    92.4
-   8410.0000	   141.7	   136.1	 -5317.1	    92.4
-   8415.0000	   145.7	   133.5	 -5310.5	    92.4
-   8420.0000	   135.6	   131.4	 -5318.5	    92.4
-   8425.0000	   132.7	   129.7	 -5319.7	    92.4
-   8430.0000	   134.1	   128.4	 -5317.0	    92.4
-   8435.0000	   135.2	   127.3	 -5314.8	    92.4
-   8440.0000	   122.0	   126.4	 -5327.2	    92.4
-   8445.0000	   141.8	   125.8	 -5306.7	    92.3
-   8450.0000	   129.3	   125.2	 -5318.6	    92.3
-   8455.0000	   134.0	   124.8	 -5313.5	    92.3
-   8460.0000	   132.0	   124.4	 -5315.1	    92.3
-   8465.0000	   128.1	   124.2	 -5318.8	    92.3
-   8470.0000	   128.5	   123.9	 -5318.1	    92.3
-   8475.0000	   134.8	   123.8	 -5311.7	    92.3
-   8480.0000	   120.0	   123.6	 -5326.3	    92.3
-   8485.0000	   134.4	   123.5	 -5311.8	    92.3
-   8490.0000	   122.9	   123.4	 -5323.2	    92.3
-   8495.0000	   130.9	   123.3	 -5315.2	    92.3
-   8500.0000	   123.3	   123.3	 -5322.7	    92.3
-   8505.0000	   123.6	   123.2	 -5322.3	    92.3
-   8510.0000	   126.9	   123.2	 -5319.0	    92.3
-   8515.0000	   126.6	   123.2	 -5319.3	    92.3
-   8520.0000	   125.6	   123.1	 -5320.2	    92.3
-   8525.0000	   126.3	   123.1	 -5319.5	    92.3
-   8530.0000	   123.0	   123.1	 -5322.8	    92.3
-   8535.0000	   126.0	   123.1	 -5319.8	    92.3
-   8540.0000	   116.0	   123.1	 -5329.8	    92.3
-   8545.0000	   124.8	   123.1	 -5321.0	    92.3
-   8550.0000	   128.1	   123.1	 -5317.7	    92.3
-   8555.0000	   122.5	   123.1	 -5323.3	    92.3
-   8560.0000	   121.7	   123.1	 -5324.1	    92.3
-   8565.0000	   122.4	   123.0	 -5323.4	    92.3
-   8570.0000	   124.0	   123.0	 -5321.7	    92.3
-   8575.0000	   112.5	   123.0	 -5333.2	    92.3
-   8580.0000	   120.7	   123.0	 -5325.0	    92.3
-   8585.0000	   121.7	   123.0	 -5324.0	    92.3
-   8590.0000	   127.0	   123.0	 -5318.7	    92.3
-   8595.0000	   118.1	   123.0	 -5327.6	    92.3
-   8600.0000	   135.3	   123.0	 -5310.4	    92.3
-   8605.0000	   121.1	   123.0	 -5324.6	    92.3
-   8610.0000	   128.7	   123.0	 -5317.0	    92.3
-   8615.0000	   125.5	   123.0	 -5320.2	    92.3
-   8620.0000	   129.4	   123.0	 -5316.3	    92.3
-   8625.0000	   121.2	   123.0	 -5324.5	    92.3
-   8630.0000	   130.8	   123.0	 -5314.9	    92.3
-   8635.0000	   115.1	   123.0	 -5330.6	    92.3
-   8640.0000	   122.3	   123.0	 -5323.4	    92.3
-   8645.0000	   126.5	   123.0	 -5319.2	    92.3
-   8650.0000	   119.3	   123.0	 -5326.4	    92.3
-   8655.0000	   121.0	   123.0	 -5324.7	    92.3
-   8660.0000	   123.8	   123.0	 -5321.9	    92.3
-   8665.0000	   116.5	   123.0	 -5329.2	    92.3
-   8670.0000	   124.2	   123.0	 -5321.5	    92.3
-   8675.0000	   119.3	   123.0	 -5326.4	    92.3
-   8680.0000	   117.9	   123.0	 -5327.8	    92.3
-   8685.0000	   114.9	   123.0	 -5330.8	    92.3
-   8690.0000	   117.1	   123.0	 -5328.6	    92.3
-   8695.0000	   115.1	   123.0	 -5330.6	    92.3
-   8700.0000	   128.4	   123.0	 -5317.3	    92.3
-   8705.0000	   118.9	   123.0	 -5326.8	    92.3
-   8710.0000	   122.9	   123.0	 -5322.8	    92.3
-   8715.0000	   123.2	   123.0	 -5322.5	    92.3
-   8720.0000	   119.0	   123.0	 -5326.7	    92.3
-   8725.0000	   122.7	   123.0	 -5323.0	    92.3
-   8730.0000	   135.9	   123.0	 -5309.8	    92.3
-   8735.0000	   116.9	   123.0	 -5328.8	    92.3
-   8740.0000	   110.1	   123.0	 -5335.6	    92.3
-   8745.0000	   122.4	   123.0	 -5323.3	    92.3
-   8750.0000	   126.8	   123.0	 -5318.9	    92.3
-   8755.0000	   125.1	   123.0	 -5320.6	    92.3
-   8760.0000	   123.5	   123.0	 -5322.2	    92.3
-   8765.0000	   124.2	   123.0	 -5321.5	    92.3
-   8770.0000	   120.7	   123.0	 -5325.0	    92.3
-   8775.0000	   120.0	   123.0	 -5325.7	    92.3
-   8780.0000	   134.6	   123.0	 -5311.1	    92.3
-   8785.0000	   127.0	   123.0	 -5318.7	    92.3
-   8790.0000	   124.3	   123.0	 -5321.4	    92.3
-   8795.0000	   127.0	   123.0	 -5318.7	    92.3
-   8800.0000	   116.3	   123.0	 -5329.4	    92.3
-   8805.0000	   127.2	   123.0	 -5318.5	    92.3
-   8810.0000	   117.2	   123.0	 -5328.5	    92.3
-   8815.0000	   129.2	   123.0	 -5316.5	    92.3
-   8820.0000	   125.6	   123.0	 -5320.1	    92.3
-   8825.0000	   133.0	   123.0	 -5312.7	    92.3
-   8830.0000	   124.9	   123.0	 -5320.8	    92.3
-   8835.0000	   122.0	   123.0	 -5323.7	    92.3
-   8840.0000	   130.0	   123.0	 -5315.7	    92.3
-   8845.0000	   132.0	   123.0	 -5313.7	    92.3
-   8850.0000	   127.7	   123.0	 -5318.0	    92.3
-   8855.0000	   124.1	   123.0	 -5321.7	    92.3
-   8860.0000	   132.9	   123.0	 -5312.9	    92.3
-   8865.0000	   126.5	   123.0	 -5319.3	    92.3
-   8870.0000	   121.0	   123.1	 -5324.8	    92.3
-   8875.0000	   122.3	   123.1	 -5323.5	    92.3
-   8880.0000	   124.4	   123.1	 -5321.4	    92.3
-   8885.0000	   113.2	   123.1	 -5332.6	    92.3
-   8890.0000	   131.4	   123.1	 -5314.4	    92.3
-   8895.0000	   117.9	   123.1	 -5327.9	    92.3
-   8900.0000	   118.7	   123.1	 -5327.1	    92.3
-   8905.0000	   122.0	   123.1	 -5323.8	    92.3
-   8910.0000	   120.7	   123.1	 -5325.1	    92.3
-   8915.0000	   110.1	   123.1	 -5335.7	    92.3
-   8920.0000	   120.2	   123.1	 -5325.6	    92.3
-   8925.0000	   119.6	   123.1	 -5326.2	    92.3
-   8930.0000	   115.5	   123.1	 -5330.3	    92.3
-   8935.0000	   117.7	   123.1	 -5328.1	    92.3
-   8940.0000	   119.2	   123.1	 -5326.6	    92.3
-   8945.0000	   120.9	   123.1	 -5324.9	    92.3
-   8950.0000	   130.5	   123.1	 -5315.3	    92.3
-   8955.0000	   119.4	   123.1	 -5326.4	    92.3
-   8960.0000	   121.6	   123.1	 -5324.2	    92.3
-   8965.0000	   117.0	   123.1	 -5328.8	    92.3
-   8970.0000	   114.6	   123.1	 -5331.2	    92.4
-   8975.0000	   115.6	   123.1	 -5330.2	    92.4
-   8980.0000	   120.1	   123.1	 -5325.7	    92.4
-   8985.0000	   124.2	   123.1	 -5321.6	    92.4
-   8990.0000	   107.3	   123.1	 -5338.5	    92.4
-   8995.0000	   111.2	   123.1	 -5334.6	    92.4
-   9000.0000	   110.0	   123.1	 -5335.8	    92.4
-   9005.0000	   123.1	   123.1	 -5322.7	    92.4
-   9010.0000	   124.8	   123.1	 -5321.0	    92.4
-   9015.0000	   113.9	   123.1	 -5331.9	    92.4
-   9020.0000	   124.0	   123.1	 -5321.8	    92.4
-   9025.0000	   123.9	   123.1	 -5321.9	    92.4
-   9030.0000	   120.3	   123.1	 -5325.6	    92.4
-   9035.0000	   120.6	   123.2	 -5325.3	    92.4
-   9040.0000	   121.3	   123.2	 -5324.6	    92.4
-   9045.0000	   121.6	   123.2	 -5324.3	    92.4
-   9050.0000	   111.2	   123.2	 -5334.7	    92.4
-   9055.0000	   116.8	   123.2	 -5329.1	    92.4
-   9060.0000	   126.0	   123.2	 -5319.9	    92.4
-   9065.0000	   117.3	   123.2	 -5328.6	    92.4
-   9070.0000	   112.7	   123.2	 -5333.2	    92.4
-   9075.0000	   114.9	   123.2	 -5331.0	    92.4
-   9080.0000	   117.8	   123.2	 -5328.1	    92.4
-   9085.0000	   120.4	   123.2	 -5325.5	    92.4
-   9090.0000	   114.8	   123.2	 -5331.1	    92.4
-   9095.0000	   120.1	   123.2	 -5325.8	    92.4
-   9100.0000	   116.3	   123.2	 -5329.6	    92.5
-   9105.0000	   124.2	   123.2	 -5321.7	    92.5
-   9110.0000	   115.6	   123.2	 -5330.3	    92.5
-   9115.0000	   116.4	   123.2	 -5329.5	    92.5
-   9120.0000	   121.6	   123.2	 -5324.3	    92.5
-   9125.0000	   116.2	   123.2	 -5329.7	    92.5
-   9130.0000	   122.8	   123.2	 -5323.1	    92.5
-   9135.0000	   119.4	   123.2	 -5326.5	    92.5
-   9140.0000	   123.2	   123.2	 -5322.7	    92.5
-   9145.0000	   125.4	   123.2	 -5320.6	    92.5
-   9150.0000	   115.8	   123.3	 -5330.2	    92.5
-   9155.0000	   124.9	   123.3	 -5321.1	    92.5
-   9160.0000	   124.0	   123.3	 -5322.0	    92.5
-   9165.0000	   116.0	   123.3	 -5330.0	    92.5
-   9170.0000	   116.8	   123.3	 -5329.2	    92.5
-   9175.0000	   122.6	   123.3	 -5323.4	    92.5
-   9180.0000	   117.8	   123.3	 -5328.2	    92.5
-   9185.0000	   123.0	   123.3	 -5323.0	    92.5
-   9190.0000	   124.9	   123.3	 -5321.1	    92.5
-   9195.0000	   121.2	   123.3	 -5324.8	    92.5
-   9200.0000	   119.6	   123.3	 -5326.4	    92.5
-   9205.0000	   120.3	   123.3	 -5325.7	    92.6
-   9210.0000	   130.7	   123.3	 -5315.3	    92.6
-   9215.0000	   129.8	   123.3	 -5316.2	    92.6
-   9220.0000	   137.7	   123.3	 -5308.3	    92.6
-   9225.0000	   134.4	   123.3	 -5311.6	    92.6
-   9230.0000	   139.2	   123.3	 -5306.8	    92.6
-   9235.0000	   148.1	   123.4	 -5298.0	    92.6
-   9240.0000	   140.7	   123.4	 -5305.4	    92.6
-   9245.0000	   152.1	   123.4	 -5294.0	    92.6
-   9250.0000	   148.1	   123.5	 -5298.1	    92.6
-   9255.0000	   153.0	   123.8	 -5293.5	    92.6
-   9260.0000	   154.3	   124.5	 -5292.9	    92.6
-   9265.0000	   150.2	   126.2	 -5298.7	    92.6
-   9270.0000	   145.6	   130.7	 -5307.8	    92.6
-   9275.0000	   163.5	   142.2	 -5301.4	    92.6
-   9280.0000	   168.8	   171.7	 -5325.6	    92.6
-   9285.0000	   233.9	   245.9	 -5334.7	    92.6
-   9290.0000	   389.1	   421.6	 -5355.2	    92.7
-   9295.0000	   776.8	   781.8	 -5327.7	    92.7
-   9300.0000	  1338.8	  1355.4	 -5339.3	    92.7
-   9305.0000	  1935.2	  1987.4	 -5374.9	    92.7
-   9310.0000	  2338.9	  2382.8	 -5366.6	    92.7
-   9315.0000	  2323.5	  2389.4	 -5388.6	    92.7
-   9320.0000	  2169.9	  2124.3	 -5277.1	    92.7
-   9325.0000	  1854.1	  1783.1	 -5251.7	    92.7
-   9330.0000	  1505.1	  1471.9	 -5289.5	    92.7
-   9335.0000	  1321.8	  1214.2	 -5215.1	    92.7
-   9340.0000	  1028.1	  1005.3	 -5299.9	    92.7
-   9345.0000	   856.8	   836.3	 -5302.2	    92.7
-   9350.0000	   704.8	   699.8	 -5317.7	    92.7
-   9355.0000	   591.2	   589.4	 -5320.9	    92.7
-   9360.0000	   493.0	   500.1	 -5329.8	    92.7
-   9365.0000	   408.6	   428.0	 -5342.1	    92.7
-   9370.0000	   357.5	   369.6	 -5334.8	    92.8
-   9375.0000	   307.9	   322.5	 -5337.3	    92.8
-   9380.0000	   261.8	   284.4	 -5345.3	    92.8
-   9385.0000	   235.5	   253.6	 -5340.8	    92.8
-   9390.0000	   233.1	   228.7	 -5318.3	    92.8
-   9395.0000	   183.7	   208.5	 -5347.5	    92.8
-   9400.0000	   189.6	   192.2	 -5325.4	    92.8
-   9405.0000	   172.1	   179.1	 -5329.7	    92.8
-   9410.0000	   168.1	   168.5	 -5323.1	    92.8
-   9415.0000	   151.1	   159.9	 -5331.5	    92.8
-   9420.0000	   158.1	   152.9	 -5317.5	    92.8
-   9425.0000	   142.3	   147.3	 -5327.7	    92.8
-   9430.0000	   138.9	   142.8	 -5326.6	    92.8
-   9435.0000	   148.9	   139.1	 -5312.9	    92.8
-   9440.0000	   138.7	   136.1	 -5320.1	    92.8
-   9445.0000	   133.8	   133.7	 -5322.6	    92.9
-   9450.0000	   138.7	   131.8	 -5315.8	    92.9
-   9455.0000	   137.2	   130.2	 -5315.7	    92.9
-   9460.0000	   130.1	   129.0	 -5321.6	    92.9
-   9465.0000	   128.4	   128.0	 -5322.3	    92.9
-   9470.0000	   137.8	   127.1	 -5312.0	    92.9
-   9475.0000	   133.1	   126.5	 -5316.1	    92.9
-   9480.0000	   118.8	   125.9	 -5329.8	    92.9
-   9485.0000	   129.7	   125.5	 -5318.5	    92.9
-   9490.0000	   118.7	   125.2	 -5329.2	    92.9
-   9495.0000	   122.0	   124.9	 -5325.6	    92.9
-   9500.0000	   126.6	   124.7	 -5320.8	    92.9
-   9505.0000	   121.1	   124.5	 -5326.1	    92.9
-   9510.0000	   129.9	   124.3	 -5317.1	    92.9
-   9515.0000	   123.9	   124.2	 -5323.0	    93.0
-   9520.0000	   129.3	   124.1	 -5317.5	    93.0
-   9525.0000	   128.0	   124.1	 -5318.8	    93.0
-   9530.0000	   128.0	   124.0	 -5318.7	    93.0
-   9535.0000	   135.5	   124.0	 -5311.2	    93.0
-   9540.0000	   127.1	   123.9	 -5319.5	    93.0
-   9545.0000	   124.2	   123.9	 -5322.4	    93.0
-   9550.0000	   127.7	   123.9	 -5318.9	    93.0
-   9555.0000	   127.1	   123.9	 -5319.5	    93.0
-   9560.0000	   120.7	   123.8	 -5325.9	    93.0
-   9565.0000	   126.9	   123.8	 -5319.6	    93.0
-   9570.0000	   131.0	   123.8	 -5315.5	    93.0
-   9575.0000	   118.8	   123.8	 -5327.7	    93.0
-   9580.0000	   124.0	   123.8	 -5322.5	    93.0
-   9585.0000	   121.1	   123.8	 -5325.4	    93.1
-   9590.0000	   121.9	   123.8	 -5324.6	    93.1
-   9595.0000	   123.7	   123.8	 -5322.8	    93.1
-   9600.0000	   128.3	   123.8	 -5318.3	    93.1
-   9605.0000	   137.4	   123.9	 -5309.2	    93.1
-   9610.0000	   142.8	   123.9	 -5303.8	    93.1
-   9615.0000	   129.5	   123.9	 -5317.1	    93.1
-   9620.0000	   136.8	   123.9	 -5309.8	    93.1
-   9625.0000	   128.4	   123.9	 -5318.2	    93.1
-   9630.0000	   133.9	   123.9	 -5312.7	    93.1
-   9635.0000	   128.2	   123.9	 -5318.4	    93.1
-   9640.0000	   126.1	   123.9	 -5320.5	    93.1
-   9645.0000	   131.8	   123.9	 -5314.8	    93.2
-   9650.0000	   126.4	   123.9	 -5320.2	    93.2
-   9655.0000	   125.1	   123.9	 -5321.5	    93.2
-   9660.0000	   127.7	   123.9	 -5318.9	    93.2
-   9665.0000	   122.5	   123.9	 -5324.1	    93.2
-   9670.0000	   132.2	   123.9	 -5314.4	    93.2
-   9675.0000	   132.8	   124.0	 -5313.9	    93.2
-   9680.0000	   132.1	   124.0	 -5314.6	    93.2
-   9685.0000	   126.2	   124.0	 -5320.5	    93.2
-   9690.0000	   116.5	   124.0	 -5330.2	    93.2
-   9695.0000	   116.2	   124.0	 -5330.5	    93.2
-   9700.0000	   121.0	   124.0	 -5325.7	    93.2
-   9705.0000	   119.4	   124.0	 -5327.3	    93.2
-   9710.0000	   118.2	   124.0	 -5328.5	    93.3
-   9715.0000	   121.6	   124.0	 -5325.1	    93.3
-   9720.0000	   125.5	   124.0	 -5321.2	    93.3
-   9725.0000	   124.3	   124.0	 -5322.4	    93.3
-   9730.0000	   134.1	   124.0	 -5312.6	    93.3
-   9735.0000	   136.1	   124.1	 -5310.7	    93.3
-   9740.0000	   125.1	   124.1	 -5321.7	    93.3
-   9745.0000	   124.3	   124.1	 -5322.5	    93.3
-   9750.0000	   133.4	   124.1	 -5313.4	    93.3
-   9755.0000	   124.8	   124.1	 -5322.0	    93.3
-   9760.0000	   129.3	   124.1	 -5317.5	    93.3
-   9765.0000	   132.8	   124.1	 -5314.0	    93.3
-   9770.0000	   129.0	   124.1	 -5317.8	    93.4
-   9775.0000	   124.8	   124.1	 -5322.0	    93.4
-   9780.0000	   130.8	   124.1	 -5316.0	    93.4
-   9785.0000	   130.9	   124.1	 -5315.9	    93.4
-   9790.0000	   124.0	   124.1	 -5322.8	    93.4
-   9795.0000	   129.7	   124.1	 -5317.2	    93.4
-   9800.0000	   122.9	   124.2	 -5324.0	    93.4
-   9805.0000	   122.0	   124.2	 -5324.9	    93.4
-   9810.0000	   133.1	   124.2	 -5313.8	    93.4
-   9815.0000	   134.1	   124.2	 -5312.8	    93.4
-   9820.0000	   130.8	   124.2	 -5316.1	    93.4
-   9825.0000	   133.5	   124.2	 -5313.4	    93.4
-   9830.0000	   117.7	   124.2	 -5329.2	    93.5
-   9835.0000	   123.5	   124.2	 -5323.4	    93.5
-   9840.0000	   128.1	   124.2	 -5318.8	    93.5
-   9845.0000	   130.8	   124.2	 -5316.1	    93.5
-   9850.0000	   130.6	   124.2	 -5316.3	    93.5
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-   9875.0000	   124.3	   124.3	 -5322.7	    93.5
-   9880.0000	   125.6	   124.3	 -5321.4	    93.5
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-   9890.0000	   125.0	   124.3	 -5322.0	    93.6
-   9895.0000	   120.0	   124.3	 -5327.0	    93.6
-   9900.0000	   115.3	   124.3	 -5331.7	    93.6
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-   9930.0000	   127.7	   124.4	 -5319.4	    93.6
-   9935.0000	   130.6	   124.4	 -5316.5	    93.6
-   9940.0000	   118.8	   124.4	 -5328.3	    93.6
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-   9950.0000	   122.4	   124.4	 -5324.7	    93.7
-   9955.0000	   117.9	   124.4	 -5329.2	    93.7
-   9960.0000	   123.1	   124.4	 -5324.0	    93.7
-   9965.0000	   122.7	   124.4	 -5324.4	    93.7
-   9970.0000	   129.2	   124.5	 -5318.0	    93.7
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-   9980.0000	   118.5	   124.5	 -5328.7	    93.7
-   9985.0000	   125.8	   124.5	 -5321.4	    93.7
-   9990.0000	   130.3	   124.5	 -5316.9	    93.7
-   9995.0000	   122.0	   124.5	 -5325.2	    93.7
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-  10015.0000	   119.3	   124.5	 -5327.9	    93.8
-  10020.0000	   116.3	   124.5	 -5330.9	    93.8
-  10025.0000	   124.5	   124.5	 -5322.8	    93.8
-  10030.0000	   110.3	   124.6	 -5337.0	    93.8
-  10035.0000	   129.3	   124.6	 -5318.0	    93.8
-  10040.0000	   122.9	   124.6	 -5324.4	    93.8
-  10045.0000	   120.5	   124.6	 -5326.8	    93.8
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-  10055.0000	   123.4	   124.6	 -5323.9	    93.8
-  10060.0000	   123.4	   124.6	 -5323.9	    93.9
-  10065.0000	   124.1	   124.6	 -5323.2	    93.9
-  10070.0000	   126.2	   124.6	 -5321.2	    93.9
-  10075.0000	   126.8	   124.7	 -5320.6	    93.9
-  10080.0000	   134.5	   124.8	 -5313.0	    93.9
-  10085.0000	   123.9	   124.9	 -5323.7	    93.9
-  10090.0000	   137.0	   125.3	 -5311.0	    93.9
-  10095.0000	   140.0	   126.1	 -5308.8	    93.9
-  10100.0000	   134.3	   128.1	 -5316.5	    93.9
-  10105.0000	   137.6	   132.7	 -5317.8	    93.9
-  10110.0000	   159.4	   143.8	 -5307.1	    93.9
-  10115.0000	   168.8	   170.0	 -5323.9	    94.0
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-  10135.0000	   974.1	   980.1	 -5328.7	    94.0
-  10140.0000	  1360.7	  1385.5	 -5347.5	    94.0
-  10145.0000	  1623.1	  1659.5	 -5359.1	    94.0
-  10150.0000	  1663.4	  1701.1	 -5360.4	    94.0
-  10155.0000	  1555.4	  1555.2	 -5322.5	    94.0
-  10160.0000	  1380.7	  1334.7	 -5276.7	    94.0
-  10165.0000	  1188.1	  1119.2	 -5253.8	    94.0
-  10170.0000	   993.8	   935.4	 -5264.3	    94.1
-  10175.0000	   828.2	   784.6	 -5279.1	    94.1
-  10180.0000	   666.7	   661.7	 -5317.7	    94.1
-  10185.0000	   572.6	   561.7	 -5311.8	    94.1
-  10190.0000	   490.6	   480.4	 -5312.5	    94.1
-  10195.0000	   419.8	   414.1	 -5317.0	    94.1
-  10200.0000	   355.4	   360.3	 -5327.6	    94.1
-  10205.0000	   287.9	   316.4	 -5351.2	    94.1
-  10210.0000	   268.4	   280.8	 -5335.1	    94.1
-  10215.0000	   241.4	   251.7	 -5333.0	    94.1
-  10220.0000	   216.9	   228.1	 -5333.9	    94.1
-  10225.0000	   192.7	   208.9	 -5338.9	    94.1
-  10230.0000	   181.4	   193.3	 -5334.6	    94.2
-  10235.0000	   181.2	   180.5	 -5322.0	    94.2
-  10240.0000	   164.1	   170.2	 -5328.8	    94.2
-  10245.0000	   162.1	   161.8	 -5322.4	    94.2
-  10250.0000	   152.8	   154.9	 -5324.8	    94.2
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-  10260.0000	   148.3	   144.8	 -5319.2	    94.2
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-  10285.0000	   120.1	   132.1	 -5334.7	    94.3
-  10290.0000	   129.4	   130.8	 -5324.1	    94.3
-  10295.0000	   129.1	   129.7	 -5323.3	    94.3
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-  10335.0000	   121.6	   126.0	 -5327.1	    94.3
-  10340.0000	   121.2	   125.8	 -5327.3	    94.4
-  10345.0000	   129.9	   125.7	 -5318.5	    94.4
-  10350.0000	   126.2	   125.6	 -5322.1	    94.4
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-  10390.0000	   120.3	   125.3	 -5327.7	    94.4
-  10395.0000	   119.7	   125.3	 -5328.3	    94.5
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-  10405.0000	   116.5	   125.3	 -5331.5	    94.5
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-  10415.0000	   116.1	   125.3	 -5331.9	    94.5
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-  10430.0000	   118.8	   125.3	 -5329.2	    94.5
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-  10440.0000	   121.3	   125.3	 -5326.7	    94.5
-  10445.0000	   118.8	   125.3	 -5329.2	    94.5
-  10450.0000	   126.5	   125.3	 -5321.5	    94.5
-  10455.0000	   106.2	   125.3	 -5341.8	    94.6
-  10460.0000	   123.2	   125.3	 -5324.8	    94.6
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-  10470.0000	   119.3	   125.3	 -5328.7	    94.6
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-  10480.0000	   123.6	   125.4	 -5324.5	    94.6
-  10485.0000	   109.8	   125.4	 -5338.3	    94.6
-  10490.0000	   123.4	   125.4	 -5324.7	    94.6
-  10495.0000	   125.1	   125.4	 -5323.0	    94.6
-  10500.0000	   110.1	   125.4	 -5338.0	    94.6
-  10505.0000	   116.8	   125.4	 -5331.3	    94.6
-  10510.0000	   115.3	   125.4	 -5332.8	    94.6
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-  10520.0000	   120.0	   125.4	 -5328.1	    94.7
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-  10530.0000	   119.9	   125.4	 -5328.2	    94.7
-  10535.0000	   109.1	   125.4	 -5339.1	    94.7
-  10540.0000	   128.3	   125.5	 -5319.9	    94.7
-  10545.0000	   126.7	   125.5	 -5321.5	    94.7
-  10550.0000	   121.3	   125.5	 -5326.9	    94.7
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-  10560.0000	   111.6	   125.5	 -5336.6	    94.7
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-  10920.0000	   122.1	   126.1	 -5326.7	    95.3
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-  10960.0000	   114.3	   126.1	 -5334.5	    95.4
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-  10980.0000	   117.9	   126.1	 -5331.0	    95.4
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-  11010.0000	   133.2	   126.2	 -5315.7	    95.4
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-  11025.0000	   115.6	   126.2	 -5333.3	    95.5
-  11030.0000	   118.9	   126.2	 -5330.0	    95.5
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-  11040.0000	   121.5	   126.2	 -5327.4	    95.5
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-  11070.0000	   135.7	   126.3	 -5313.3	    95.5
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-  11095.0000	   134.3	   126.3	 -5314.7	    95.6
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-  11105.0000	   128.3	   126.3	 -5320.7	    95.6
-  11110.0000	   119.9	   126.3	 -5329.1	    95.6
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-  11120.0000	   121.9	   126.3	 -5327.1	    95.6
-  11125.0000	   130.7	   126.3	 -5318.4	    95.6
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-  11195.0000	   107.6	   126.4	 -5341.5	    95.7
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-  11820.0000	   112.6	   127.1	 -5337.2	    96.3
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-  11860.0000	   127.3	   127.1	 -5322.5	    96.3
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-  11885.0000	   114.2	   127.1	 -5335.6	    96.4
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-  11900.0000	   115.3	   127.1	 -5334.5	    96.4
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-  11930.0000	   128.5	   127.1	 -5321.3	    96.4
-  11935.0000	   121.6	   127.1	 -5328.2	    96.4
-  11940.0000	   115.1	   127.1	 -5334.7	    96.4
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-  11960.0000	   126.7	   127.2	 -5323.2	    96.4
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-  15310.0000	   117.7	   128.7	 -5333.7	    97.9
-  15315.0000	   129.3	   128.7	 -5322.1	    97.9
-  15320.0000	   126.7	   128.7	 -5324.7	    97.9
-  15325.0000	   145.0	   128.7	 -5306.4	    97.9
-  15330.0000	   114.4	   128.7	 -5337.0	    97.9
-  15335.0000	   133.7	   128.7	 -5317.7	    97.9
-  15340.0000	   137.8	   128.7	 -5313.6	    98.0
-  15345.0000	   127.6	   128.7	 -5323.8	    98.0
-  15350.0000	   134.8	   128.7	 -5316.6	    98.0
-  15355.0000	   120.2	   128.7	 -5331.2	    98.0
-  15360.0000	   129.6	   128.7	 -5321.8	    98.0
-  15365.0000	   123.3	   128.7	 -5328.2	    98.0
-  15370.0000	   137.9	   128.8	 -5313.6	    98.0
-  15375.0000	   110.7	   128.8	 -5340.8	    98.0
-  15380.0000	   120.1	   128.8	 -5331.4	    98.0
-  15385.0000	   157.7	   128.8	 -5293.8	    98.0
-  15390.0000	   131.6	   128.8	 -5319.9	    98.0
-  15395.0000	   121.1	   128.8	 -5330.4	    98.0
-  15400.0000	   117.9	   128.8	 -5333.6	    98.1
-  15405.0000	   122.1	   128.8	 -5329.4	    98.1
-  15410.0000	   146.9	   128.8	 -5304.6	    98.1
-  15415.0000	   110.3	   128.8	 -5341.2	    98.1
-  15420.0000	   107.1	   128.8	 -5344.4	    98.1
-  15425.0000	   124.0	   128.9	 -5327.6	    98.1
-  15430.0000	   121.3	   128.9	 -5330.3	    98.1
-  15435.0000	   116.4	   128.9	 -5335.2	    98.1
-  15440.0000	   132.4	   128.9	 -5319.2	    98.1
-  15445.0000	   119.6	   128.9	 -5332.0	    98.1
-  15450.0000	   137.2	   128.9	 -5314.4	    98.1
-  15455.0000	   131.3	   128.9	 -5320.3	    98.2
-  15460.0000	   123.7	   128.9	 -5327.9	    98.2
-  15465.0000	   117.7	   128.9	 -5333.9	    98.2
-  15470.0000	   122.0	   128.9	 -5329.6	    98.2
-  15475.0000	   121.4	   128.9	 -5330.2	    98.2
-  15480.0000	   131.1	   129.0	 -5320.6	    98.2
-  15485.0000	   117.4	   129.0	 -5334.3	    98.2
-  15490.0000	   120.1	   129.0	 -5331.6	    98.2
-  15495.0000	   128.8	   129.0	 -5322.9	    98.2
-  15500.0000	   123.3	   129.0	 -5328.4	    98.2
-  15505.0000	   141.3	   129.0	 -5310.4	    98.2
-  15510.0000	   123.2	   129.0	 -5328.5	    98.3
-  15515.0000	   140.7	   129.0	 -5311.0	    98.3
-  15520.0000	   138.9	   129.0	 -5312.8	    98.3
-  15525.0000	   131.2	   129.0	 -5320.5	    98.3
-  15530.0000	   123.9	   129.0	 -5327.8	    98.3
-  15535.0000	   122.8	   129.1	 -5329.0	    98.3
-  15540.0000	   108.7	   129.1	 -5343.1	    98.3
-  15545.0000	   151.9	   129.1	 -5299.9	    98.3
-  15550.0000	   133.6	   129.1	 -5318.2	    98.3
-  15555.0000	   110.2	   129.1	 -5341.6	    98.3
-  15560.0000	   109.3	   129.1	 -5342.5	    98.3
-  15565.0000	   146.1	   129.1	 -5305.7	    98.4
-  15570.0000	   123.1	   129.1	 -5328.7	    98.4
-  15575.0000	   128.7	   129.1	 -5323.1	    98.4
-  15580.0000	   138.9	   129.1	 -5312.9	    98.4
-  15585.0000	   105.3	   129.2	 -5346.6	    98.4
-  15590.0000	   119.2	   129.2	 -5332.7	    98.4
-  15595.0000	   126.1	   129.2	 -5325.8	    98.4
-  15600.0000	   132.9	   129.2	 -5319.0	    98.4
-  15605.0000	   120.5	   129.2	 -5331.4	    98.4
-  15610.0000	   121.0	   129.2	 -5330.9	    98.4
-  15615.0000	   132.4	   129.2	 -5319.5	    98.5
-  15620.0000	   119.9	   129.2	 -5332.0	    98.5
-  15625.0000	   115.4	   129.2	 -5336.5	    98.5
-  15630.0000	   129.4	   129.2	 -5322.5	    98.5
-  15635.0000	   117.1	   129.3	 -5334.9	    98.5
-  15640.0000	   125.0	   129.3	 -5327.0	    98.5
-  15645.0000	   125.0	   129.3	 -5327.0	    98.5
-  15650.0000	   138.3	   129.3	 -5313.7	    98.5
-  15655.0000	   116.6	   129.3	 -5335.4	    98.5
-  15660.0000	   108.6	   129.3	 -5343.4	    98.5
-  15665.0000	   118.8	   129.3	 -5333.2	    98.6
-  15670.0000	   127.5	   129.3	 -5324.5	    98.6
-  15675.0000	   125.2	   129.3	 -5326.8	    98.6
-  15680.0000	   148.2	   129.3	 -5303.8	    98.6
-  15685.0000	    96.5	   129.4	 -5355.6	    98.6
-  15690.0000	   113.2	   129.4	 -5338.9	    98.6
-  15695.0000	   110.9	   129.4	 -5341.2	    98.6
-  15700.0000	   121.3	   129.4	 -5330.8	    98.6
-  15705.0000	   138.9	   129.4	 -5313.2	    98.6
-  15710.0000	   105.7	   129.4	 -5346.4	    98.7
-  15715.0000	   116.1	   129.4	 -5336.0	    98.7
-  15720.0000	   133.5	   129.4	 -5318.6	    98.7
-  15725.0000	   128.4	   129.4	 -5323.7	    98.7
-  15730.0000	   123.7	   129.4	 -5328.5	    98.7
-  15735.0000	   122.6	   129.5	 -5329.6	    98.7
-  15740.0000	   152.9	   129.5	 -5299.3	    98.7
-  15745.0000	   126.7	   129.5	 -5325.5	    98.7
-  15750.0000	   140.7	   129.5	 -5311.5	    98.7
-  15755.0000	   119.6	   129.5	 -5332.6	    98.8
-  15760.0000	   114.9	   129.5	 -5337.3	    98.8
-  15765.0000	   147.3	   129.5	 -5304.9	    98.8
-  15770.0000	   124.9	   129.5	 -5327.3	    98.8
-  15775.0000	   126.1	   129.5	 -5326.2	    98.8
-  15780.0000	   125.1	   129.6	 -5327.2	    98.8
-  15785.0000	   113.7	   129.6	 -5338.6	    98.8
-  15790.0000	   150.5	   129.6	 -5301.8	    98.8
-  15795.0000	    99.5	   129.6	 -5352.8	    98.8
-  15800.0000	   149.6	   129.6	 -5302.7	    98.9
-  15805.0000	   104.8	   129.6	 -5347.5	    98.9
-  15810.0000	   142.9	   129.6	 -5309.4	    98.9
-  15815.0000	   136.9	   129.6	 -5315.4	    98.9
-  15820.0000	   122.9	   129.6	 -5329.5	    98.9
-  15825.0000	   116.1	   129.7	 -5336.3	    98.9
-  15830.0000	   122.1	   129.7	 -5330.3	    98.9
-  15835.0000	   128.4	   129.7	 -5324.0	    98.9
-  15840.0000	   121.2	   129.7	 -5331.2	    98.9
-  15845.0000	   139.6	   129.7	 -5312.8	    99.0
-  15850.0000	   133.6	   129.7	 -5318.8	    99.0
-  15855.0000	   130.2	   129.7	 -5322.2	    99.0
-  15860.0000	   153.1	   129.7	 -5299.3	    99.0
-  15865.0000	   127.0	   129.8	 -5325.5	    99.0
-  15870.0000	   124.6	   129.8	 -5327.9	    99.0
-  15875.0000	   123.6	   129.8	 -5328.9	    99.0
-  15880.0000	   111.5	   129.8	 -5341.0	    99.0
-  15885.0000	   124.0	   129.8	 -5328.5	    99.0
-  15890.0000	   129.1	   129.8	 -5323.4	    99.1
-  15895.0000	   124.3	   129.8	 -5328.2	    99.1
-  15900.0000	   125.5	   129.8	 -5327.0	    99.1
-  15905.0000	   128.3	   129.8	 -5324.3	    99.1
-  15910.0000	   121.3	   129.9	 -5331.3	    99.1
-  15915.0000	   150.7	   129.9	 -5301.9	    99.1
-  15920.0000	   120.0	   129.9	 -5332.6	    99.1
-  15925.0000	   120.4	   129.9	 -5332.2	    99.1
-  15930.0000	   123.1	   129.9	 -5329.5	    99.2
-  15935.0000	   137.8	   129.9	 -5314.8	    99.2
-  15940.0000	   164.1	   129.9	 -5288.5	    99.2
-  15945.0000	   109.8	   129.9	 -5342.8	    99.2
-  15950.0000	   142.2	   130.0	 -5310.5	    99.2
-  15955.0000	   131.1	   130.0	 -5321.6	    99.2
-  15960.0000	   159.9	   130.0	 -5292.8	    99.2
-  15965.0000	   150.3	   130.0	 -5302.4	    99.2
-  15970.0000	   180.1	   130.0	 -5272.6	    99.2
-  15975.0000	   200.0	   130.0	 -5252.7	    99.3
-  15980.0000	   189.4	   130.0	 -5263.3	    99.3
-  15985.0000	   179.7	   130.0	 -5273.0	    99.3
-  15990.0000	   172.2	   130.1	 -5280.6	    99.3
-  15995.0000	   208.4	   130.1	 -5244.4	    99.3
-  16000.0000	   201.5	   130.1	 -5251.3	    99.3
-  16005.0000	   203.1	   130.1	 -5249.7	    99.3
-  16010.0000	   186.8	   130.1	 -5266.0	    99.3
-  16015.0000	   200.5	   130.1	 -5252.3	    99.4
-  16020.0000	   180.1	   130.1	 -5272.7	    99.4
-  16025.0000	   204.0	   130.1	 -5248.8	    99.4
-  16030.0000	   200.2	   130.2	 -5252.7	    99.4
-  16035.0000	   168.8	   130.2	 -5284.1	    99.4
-  16040.0000	   159.4	   130.2	 -5293.5	    99.4
-  16045.0000	   172.0	   130.2	 -5280.9	    99.4
-  16050.0000	   136.6	   130.2	 -5316.3	    99.4
-  16055.0000	   163.2	   130.2	 -5289.7	    99.5
-  16060.0000	   161.3	   130.2	 -5291.6	    99.5
-  16065.0000	   147.3	   130.2	 -5305.6	    99.5
-  16070.0000	   140.9	   130.3	 -5312.1	    99.5
-  16075.0000	   151.1	   130.3	 -5301.9	    99.5
-  16080.0000	   137.6	   130.3	 -5315.4	    99.5
-  16085.0000	   150.4	   130.3	 -5302.6	    99.5
-  16090.0000	   133.8	   130.3	 -5319.2	    99.6
-  16095.0000	   123.8	   130.3	 -5329.2	    99.6
-  16100.0000	   124.0	   130.3	 -5329.0	    99.6
-  16105.0000	   113.8	   130.3	 -5339.2	    99.6
-  16110.0000	   154.7	   130.4	 -5298.4	    99.6
-  16115.0000	   121.6	   130.4	 -5331.5	    99.6
-  16120.0000	   143.7	   130.4	 -5309.4	    99.6
-  16125.0000	   127.0	   130.4	 -5326.1	    99.6
-  16130.0000	   143.7	   130.4	 -5309.4	    99.7
-  16135.0000	   143.8	   130.4	 -5309.3	    99.7
-  16140.0000	   133.8	   130.4	 -5319.3	    99.7
-  16145.0000	   144.1	   130.4	 -5309.1	    99.7
-  16150.0000	    88.9	   130.5	 -5364.3	    99.7
-  16155.0000	   146.9	   130.5	 -5306.3	    99.7
-  16160.0000	   131.6	   130.5	 -5321.6	    99.7
-  16165.0000	   139.4	   130.5	 -5313.8	    99.7
-  16170.0000	   148.6	   130.5	 -5304.6	    99.8
-  16175.0000	   122.9	   130.5	 -5330.3	    99.8
-  16180.0000	   146.2	   130.5	 -5307.0	    99.8
-  16185.0000	   144.9	   130.6	 -5308.4	    99.8
-  16190.0000	   121.8	   130.6	 -5331.5	    99.8
-  16195.0000	   145.3	   130.6	 -5308.0	    99.8
-  16200.0000	   131.1	   130.6	 -5322.2	    99.8
-  16205.0000	   140.3	   130.6	 -5313.0	    99.9
-  16210.0000	   135.1	   130.6	 -5318.2	    99.9
-  16215.0000	   134.0	   130.6	 -5319.3	    99.9
-  16220.0000	   137.9	   130.7	 -5315.5	    99.9
-  16225.0000	   104.2	   130.7	 -5349.2	    99.9
-  16230.0000	   117.2	   130.7	 -5336.2	    99.9
-  16235.0000	   140.8	   130.7	 -5312.6	    99.9
-  16240.0000	   126.5	   130.7	 -5326.9	   100.0
-  16245.0000	   124.0	   130.7	 -5329.4	   100.0
-  16250.0000	   129.2	   130.7	 -5324.2	   100.0
-  16255.0000	   118.9	   130.7	 -5334.6	   100.0
-  16260.0000	   134.5	   130.8	 -5319.0	   100.0
-  16265.0000	    99.4	   130.8	 -5354.1	   100.0
-  16270.0000	   113.8	   130.8	 -5339.7	   100.0
-  16275.0000	   130.9	   130.8	 -5322.6	   100.1
-  16280.0000	   111.4	   130.8	 -5342.1	   100.1
-  16285.0000	   132.3	   130.8	 -5321.2	   100.1
-  16290.0000	   138.9	   130.8	 -5314.7	   100.1
-  16295.0000	   142.9	   130.9	 -5310.7	   100.1
-  16300.0000	   151.0	   130.9	 -5302.6	   100.1
-  16305.0000	   122.1	   130.9	 -5331.5	   100.1
-  16310.0000	   140.5	   130.9	 -5313.1	   100.2
-  16315.0000	   145.8	   130.9	 -5307.8	   100.2
-  16320.0000	   122.2	   130.9	 -5331.4	   100.2
-  16325.0000	    99.9	   130.9	 -5353.8	   100.2
-  16330.0000	   132.8	   131.0	 -5320.9	   100.2
-  16335.0000	   135.5	   131.0	 -5318.2	   100.2
-  16340.0000	   135.5	   131.0	 -5318.2	   100.2
-  16345.0000	   142.1	   131.0	 -5311.6	   100.3
-  16350.0000	   130.3	   131.0	 -5323.4	   100.3
-  16355.0000	   150.1	   131.0	 -5303.6	   100.3
-  16360.0000	   125.1	   131.0	 -5328.7	   100.3
-  16365.0000	   160.6	   131.1	 -5293.2	   100.3
-  16370.0000	   130.4	   131.1	 -5323.4	   100.3
-  16375.0000	   146.4	   131.1	 -5307.4	   100.3
-  16380.0000	   113.4	   131.1	 -5340.4	   100.4
-  16385.0000	   160.9	   131.1	 -5292.9	   100.4
-  16390.0000	   138.6	   131.1	 -5315.2	   100.4
-  16395.0000	   132.1	   131.1	 -5321.8	   100.4
-  16400.0000	   132.1	   131.2	 -5321.8	   100.4
-  16405.0000	   141.3	   131.2	 -5312.6	   100.4
-  16410.0000	   136.3	   131.2	 -5317.6	   100.4
-  16415.0000	   153.5	   131.2	 -5300.4	   100.5
-  16420.0000	   136.3	   131.2	 -5317.6	   100.5
-  16425.0000	   123.0	   131.2	 -5330.9	   100.5
-  16430.0000	   143.2	   131.3	 -5310.8	   100.5
-  16435.0000	   143.2	   131.3	 -5310.8	   100.5
-  16440.0000	   137.9	   131.3	 -5316.1	   100.5
-  16445.0000	   120.7	   131.3	 -5333.3	   100.5
-  16450.0000	   163.6	   131.3	 -5290.4	   100.6
-  16455.0000	    95.8	   131.3	 -5358.2	   100.6
-  16460.0000	   126.3	   131.3	 -5327.7	   100.6
-  16465.0000	   150.5	   131.4	 -5303.6	   100.6
-  16470.0000	   126.8	   131.4	 -5327.3	   100.6
-  16475.0000	   140.1	   131.4	 -5314.0	   100.6
-  16480.0000	   140.1	   131.4	 -5314.0	   100.6
-  16485.0000	   133.6	   131.4	 -5320.5	   100.7
-  16490.0000	   129.9	   131.4	 -5324.2	   100.7
-  16495.0000	   142.0	   131.4	 -5312.2	   100.7
-  16500.0000	   140.6	   131.5	 -5313.6	   100.7
-  16505.0000	   150.1	   131.5	 -5304.1	   100.7
-  16510.0000	   124.9	   131.5	 -5329.3	   100.7
-  16515.0000	   119.6	   131.5	 -5334.6	   100.8
-  16520.0000	   125.1	   131.5	 -5329.1	   100.8
-  16525.0000	   130.5	   131.5	 -5323.7	   100.8
-  16530.0000	   114.7	   131.6	 -5339.6	   100.8
-  16535.0000	   128.2	   131.6	 -5326.1	   100.8
-  16540.0000	   147.2	   131.6	 -5307.1	   100.8
-  16545.0000	   108.1	   131.6	 -5346.2	   100.8
-  16550.0000	   138.1	   131.6	 -5316.2	   100.9
-  16555.0000	   138.1	   131.6	 -5316.2	   100.9
-  16560.0000	   124.7	   131.6	 -5329.7	   100.9
-  16565.0000	   128.8	   131.7	 -5325.6	   100.9
-  16570.0000	   144.0	   131.7	 -5310.4	   100.9
-  16575.0000	   125.1	   131.7	 -5329.3	   100.9
-  16580.0000	   108.8	   131.7	 -5345.6	   101.0
-  16585.0000	   141.4	   131.7	 -5313.0	   101.0
-  16590.0000	   139.0	   131.7	 -5315.4	   101.0
-  16595.0000	   121.4	   131.8	 -5333.1	   101.0
-  16600.0000	   125.5	   131.8	 -5329.0	   101.0
-  16605.0000	   114.6	   131.8	 -5339.9	   101.0
-  16610.0000	   101.1	   131.8	 -5353.4	   101.1
-  16615.0000	   131.3	   131.8	 -5323.2	   101.1
-  16620.0000	   132.6	   131.8	 -5321.9	   101.1
-  16625.0000	   139.7	   131.9	 -5314.9	   101.1
-  16630.0000	   134.2	   131.9	 -5320.4	   101.1
-  16635.0000	   133.0	   131.9	 -5321.6	   101.1
-  16640.0000	   141.3	   131.9	 -5313.3	   101.1
-  16645.0000	   133.3	   131.9	 -5321.3	   101.2
-  16650.0000	   115.5	   131.9	 -5339.1	   101.2
-  16655.0000	   141.6	   131.9	 -5313.1	   101.2
-  16660.0000	   145.7	   132.0	 -5309.0	   101.2
-  16665.0000	   146.0	   132.0	 -5308.7	   101.2
-  16670.0000	   132.3	   132.0	 -5322.4	   101.2
-  16675.0000	   130.9	   132.0	 -5323.8	   101.3
-  16680.0000	   107.5	   132.0	 -5347.2	   101.3
-  16685.0000	   128.3	   132.0	 -5326.4	   101.3
-  16690.0000	   136.8	   132.1	 -5318.0	   101.3
-  16695.0000	   140.9	   132.1	 -5313.9	   101.3
-  16700.0000	   121.6	   132.1	 -5333.2	   101.3
-  16705.0000	   130.2	   132.1	 -5324.6	   101.4
-  16710.0000	   135.7	   132.1	 -5319.1	   101.4
-  16715.0000	   119.1	   132.1	 -5335.7	   101.4
-  16720.0000	   115.0	   132.2	 -5339.9	   101.4
-  16725.0000	   143.0	   132.2	 -5311.9	   101.4
-  16730.0000	   133.3	   132.2	 -5321.6	   101.4
-  16735.0000	   166.6	   132.2	 -5288.3	   101.5
-  16740.0000	   136.0	   132.2	 -5318.9	   101.5
-  16745.0000	   132.2	   132.2	 -5322.7	   101.5
-  16750.0000	   125.2	   132.3	 -5329.8	   101.5
-  16755.0000	   123.8	   132.3	 -5331.2	   101.5
-  16760.0000	   129.5	   132.3	 -5325.5	   101.5
-  16765.0000	   121.3	   132.3	 -5333.7	   101.5
-  16770.0000	   156.1	   132.3	 -5298.9	   101.6
-  16775.0000	   106.0	   132.3	 -5349.0	   101.6
-  16780.0000	   101.9	   132.4	 -5353.2	   101.6
-  16785.0000	   139.7	   132.4	 -5315.4	   101.6
-  16790.0000	   128.5	   132.4	 -5326.6	   101.6
-  16795.0000	   120.1	   132.4	 -5335.0	   101.6
-  16800.0000	   124.5	   132.4	 -5330.6	   101.7
-  16805.0000	   138.6	   132.4	 -5316.5	   101.7
-  16810.0000	   127.4	   132.5	 -5327.8	   101.7
-  16815.0000	   149.8	   132.5	 -5305.4	   101.7
-  16820.0000	   127.6	   132.5	 -5327.6	   101.7
-  16825.0000	   113.7	   132.5	 -5341.5	   101.7
-  16830.0000	   113.7	   132.5	 -5341.5	   101.8
-  16835.0000	   139.1	   132.5	 -5316.1	   101.8
-  16840.0000	   150.3	   132.6	 -5305.0	   101.8
-  16845.0000	   105.4	   132.6	 -5349.9	   101.8
-  16850.0000	   139.2	   132.6	 -5316.1	   101.8
-  16855.0000	   123.9	   132.6	 -5331.4	   101.8
-  16860.0000	   125.4	   132.6	 -5329.9	   101.9
-  16865.0000	   126.8	   132.6	 -5328.5	   101.9
-  16870.0000	   126.8	   132.7	 -5328.6	   101.9
-  16875.0000	   118.5	   132.7	 -5336.9	   101.9
-  16880.0000	   135.5	   132.7	 -5319.9	   101.9
-  16885.0000	   166.6	   132.7	 -5288.8	   101.9
-  16890.0000	   140.0	   132.7	 -5315.4	   102.0
-  16895.0000	   113.1	   132.7	 -5342.3	   102.0
-  16900.0000	   162.7	   132.8	 -5292.8	   102.0
-  16905.0000	   140.1	   132.8	 -5315.4	   102.0
-  16910.0000	   123.3	   132.8	 -5332.2	   102.0
-  16915.0000	   111.9	   132.8	 -5343.6	   102.0
-  16920.0000	   134.7	   132.8	 -5320.8	   102.1
-  16925.0000	   147.5	   132.8	 -5308.0	   102.1
-  16930.0000	   123.6	   132.9	 -5332.0	   102.1
-  16935.0000	   132.1	   132.9	 -5323.5	   102.1
-  16940.0000	   157.8	   132.9	 -5297.8	   102.1
-  16945.0000	   133.9	   132.9	 -5321.7	   102.2
-  16950.0000	   146.7	   132.9	 -5308.9	   102.2
-  16955.0000	   152.4	   132.9	 -5303.2	   102.2
-  16960.0000	   108.3	   133.0	 -5347.4	   102.2
-  16965.0000	   122.7	   133.0	 -5333.0	   102.2
-  16970.0000	   149.8	   133.0	 -5305.9	   102.2
-  16975.0000	   156.9	   133.0	 -5298.8	   102.3
-  16980.0000	   128.5	   133.0	 -5327.2	   102.3
-  16985.0000	   130.0	   133.0	 -5325.7	   102.3
-  16990.0000	   120.0	   133.1	 -5335.8	   102.3
-  16995.0000	   151.5	   133.1	 -5304.3	   102.3
-  17000.0000	   113.0	   133.1	 -5342.8	   102.3
-  17005.0000	   140.3	   133.1	 -5315.5	   102.4
-  17010.0000	   134.6	   133.1	 -5321.2	   102.4
-  17015.0000	   124.6	   133.1	 -5331.3	   102.4
-  17020.0000	   163.6	   133.2	 -5292.3	   102.4
-  17025.0000	   123.4	   133.2	 -5332.5	   102.4
-  17030.0000	   122.0	   133.2	 -5333.9	   102.4
-  17035.0000	   130.6	   133.2	 -5325.3	   102.5
-  17040.0000	   139.6	   133.2	 -5316.3	   102.5
-  17045.0000	   119.4	   133.3	 -5336.6	   102.5
-  17050.0000	   143.9	   133.3	 -5312.1	   102.5
-  17055.0000	   159.7	   133.3	 -5296.3	   102.5
-  17060.0000	   134.2	   133.3	 -5321.8	   102.5
-  17065.0000	   129.8	   133.3	 -5326.2	   102.6
-  17070.0000	   147.2	   133.3	 -5308.8	   102.6
-  17075.0000	   125.9	   133.4	 -5330.2	   102.6
-  17080.0000	   117.2	   133.4	 -5338.9	   102.6
-  17085.0000	   166.4	   133.4	 -5289.7	   102.6
-  17090.0000	   164.9	   133.4	 -5291.2	   102.7
-  17095.0000	   126.2	   133.4	 -5329.9	   102.7
-  17100.0000	   127.7	   133.4	 -5328.4	   102.7
-  17105.0000	   143.6	   133.5	 -5312.6	   102.7
-  17110.0000	   139.3	   133.5	 -5316.9	   102.7
-  17115.0000	   122.1	   133.5	 -5334.1	   102.7
-  17120.0000	   127.9	   133.5	 -5328.3	   102.8
-  17125.0000	   132.2	   133.5	 -5324.0	   102.8
-  17130.0000	   107.7	   133.5	 -5348.6	   102.8
-  17135.0000	   132.6	   133.6	 -5323.7	   102.8
-  17140.0000	   134.0	   133.6	 -5322.3	   102.8
-  17145.0000	   129.7	   133.6	 -5326.6	   102.8
-  17150.0000	   138.6	   133.6	 -5317.7	   102.9
-  17155.0000	   125.7	   133.6	 -5330.6	   102.9
-  17160.0000	   146.2	   133.7	 -5310.2	   102.9
-  17165.0000	   156.4	   133.7	 -5300.0	   102.9
-  17170.0000	   139.0	   133.7	 -5317.4	   102.9
-  17175.0000	   129.0	   133.7	 -5327.4	   103.0
-  17180.0000	   142.2	   133.7	 -5314.2	   103.0
-  17185.0000	   131.9	   133.7	 -5324.5	   103.0
-  17190.0000	   129.2	   133.8	 -5327.3	   103.0
-  17195.0000	   123.5	   133.8	 -5333.0	   103.0
-  17200.0000	   147.0	   133.8	 -5309.5	   103.0
-  17205.0000	   125.2	   133.8	 -5331.3	   103.1
-  17210.0000	   104.6	   133.8	 -5351.9	   103.1
-  17215.0000	   159.2	   133.9	 -5297.4	   103.1
-  17220.0000	   146.0	   133.9	 -5310.6	   103.1
-  17225.0000	   113.7	   133.9	 -5342.9	   103.1
-  17230.0000	   118.1	   133.9	 -5338.5	   103.2
-  17235.0000	   124.2	   133.9	 -5332.4	   103.2
-  17240.0000	   122.7	   133.9	 -5333.9	   103.2
-  17245.0000	   130.3	   134.0	 -5326.4	   103.2
-  17250.0000	   122.9	   134.0	 -5333.8	   103.2
-  17255.0000	   127.5	   134.0	 -5329.2	   103.2
-  17260.0000	   111.4	   134.0	 -5345.3	   103.3
-  17265.0000	   158.9	   134.0	 -5297.8	   103.3
-  17270.0000	   127.7	   134.0	 -5329.1	   103.3
-  17275.0000	   114.5	   134.1	 -5342.3	   103.3
-  17280.0000	   117.6	   134.1	 -5339.2	   103.3
-  17285.0000	   131.1	   134.1	 -5325.7	   103.3
-  17290.0000	   120.6	   134.1	 -5336.2	   103.4
-  17295.0000	   159.6	   134.1	 -5297.2	   103.4
-  17300.0000	   127.0	   134.2	 -5329.9	   103.4
-  17305.0000	   146.4	   134.2	 -5310.5	   103.4
-  17310.0000	   127.2	   134.2	 -5329.7	   103.4
-  17315.0000	   138.0	   134.2	 -5318.9	   103.5
-  17320.0000	   121.5	   134.2	 -5335.4	   103.5
-  17325.0000	   141.0	   134.2	 -5316.0	   103.5
-  17330.0000	   121.6	   134.3	 -5335.4	   103.5
-  17335.0000	   146.0	   134.3	 -5311.0	   103.5
-  17340.0000	   120.4	   134.3	 -5336.6	   103.5
-  17345.0000	   112.9	   134.3	 -5344.1	   103.6
-  17350.0000	   129.6	   134.3	 -5327.4	   103.6
-  17355.0000	   126.8	   134.4	 -5330.3	   103.6
-  17360.0000	   144.9	   134.4	 -5312.2	   103.6
-  17365.0000	   137.4	   134.4	 -5319.7	   103.6
-  17370.0000	   122.5	   134.4	 -5334.6	   103.7
-  17375.0000	   118.2	   134.4	 -5338.9	   103.7
-  17380.0000	   131.8	   134.4	 -5325.4	   103.7
-  17385.0000	   124.2	   134.5	 -5333.0	   103.7
-  17390.0000	   138.3	   134.5	 -5318.9	   103.7
-  17395.0000	   145.9	   134.5	 -5311.3	   103.7
-  17400.0000	   150.5	   134.5	 -5306.7	   103.8
-  17405.0000	   112.5	   134.5	 -5344.7	   103.8
-  17410.0000	   117.4	   134.6	 -5339.9	   103.8
-  17415.0000	   137.2	   134.6	 -5320.1	   103.8
-  17420.0000	   154.0	   134.6	 -5303.3	   103.8
-  17425.0000	   126.5	   134.6	 -5330.8	   103.9
-  17430.0000	   131.6	   134.6	 -5325.7	   103.9
-  17435.0000	   137.7	   134.6	 -5319.7	   103.9
-  17440.0000	   146.9	   134.7	 -5310.5	   103.9
-  17445.0000	   144.1	   134.7	 -5313.3	   103.9
-  17450.0000	   113.7	   134.7	 -5343.7	   104.0
-  17455.0000	   167.4	   134.7	 -5290.0	   104.0
-  17460.0000	   147.5	   134.7	 -5309.9	   104.0
-  17465.0000	   135.4	   134.8	 -5322.1	   104.0
-  17470.0000	   144.9	   134.8	 -5312.6	   104.0
-  17475.0000	   123.3	   134.8	 -5334.2	   104.0
-  17480.0000	   143.3	   134.8	 -5314.2	   104.1
-  17485.0000	   151.3	   134.8	 -5306.2	   104.1
-  17490.0000	   120.7	   134.9	 -5336.9	   104.1
-  17495.0000	   136.1	   134.9	 -5321.5	   104.1
-  17500.0000	   159.6	   134.9	 -5298.0	   104.1
-  17505.0000	   139.4	   134.9	 -5318.2	   104.2
-  17510.0000	   121.0	   134.9	 -5336.6	   104.2
-  17515.0000	   136.5	   134.9	 -5321.1	   104.2
-  17520.0000	   125.9	   135.0	 -5331.8	   104.2
-  17525.0000	   132.3	   135.0	 -5325.4	   104.2
-  17530.0000	   144.8	   135.0	 -5312.9	   104.2
-  17535.0000	   109.0	   135.0	 -5348.7	   104.3
-  17540.0000	   148.2	   135.0	 -5309.5	   104.3
-  17545.0000	   107.8	   135.1	 -5350.0	   104.3
-  17550.0000	   126.6	   135.1	 -5331.2	   104.3
-  17555.0000	   146.9	   135.1	 -5310.9	   104.3
-  17560.0000	   108.1	   135.1	 -5349.7	   104.4
-  17565.0000	   128.6	   135.1	 -5329.2	   104.4
-  17570.0000	   128.6	   135.1	 -5329.3	   104.4
-  17575.0000	   136.7	   135.2	 -5321.2	   104.4
-  17580.0000	   161.8	   135.2	 -5296.1	   104.4
-  17585.0000	   118.1	   135.2	 -5339.8	   104.4
-  17590.0000	   119.6	   135.2	 -5338.3	   104.5
-  17595.0000	   134.0	   135.2	 -5323.9	   104.5
-  17600.0000	   124.5	   135.3	 -5333.5	   104.5
-  17605.0000	   134.2	   135.3	 -5323.8	   104.5
-  17610.0000	   135.8	   135.3	 -5322.2	   104.5
-  17615.0000	   150.3	   135.3	 -5307.7	   104.6
-  17620.0000	   144.0	   135.3	 -5314.0	   104.6
-  17625.0000	   122.1	   135.4	 -5336.0	   104.6
-  17630.0000	   147.7	   135.4	 -5310.4	   104.6
-  17635.0000	   127.0	   135.4	 -5331.1	   104.6
-  17640.0000	   133.4	   135.4	 -5324.7	   104.7
-  17645.0000	   143.2	   135.4	 -5314.9	   104.7
-  17650.0000	   116.4	   135.4	 -5341.7	   104.7
-  17655.0000	   124.4	   135.5	 -5333.8	   104.7
-  17660.0000	   116.4	   135.5	 -5341.8	   104.7
-  17665.0000	   116.6	   135.5	 -5341.6	   104.7
-  17670.0000	   129.6	   135.5	 -5328.6	   104.8
-  17675.0000	   129.6	   135.5	 -5328.6	   104.8
-  17680.0000	   129.6	   135.6	 -5328.7	   104.8
-  17685.0000	   147.5	   135.6	 -5310.8	   104.8
-  17690.0000	   143.0	   135.6	 -5315.3	   104.8
-  17695.0000	   130.1	   135.6	 -5328.2	   104.9
-  17700.0000	   128.5	   135.6	 -5329.8	   104.9
-  17705.0000	   117.8	   135.6	 -5340.6	   104.9
-  17710.0000	   146.8	   135.7	 -5311.6	   104.9
-  17715.0000	   125.9	   135.7	 -5332.5	   104.9
-  17720.0000	   145.2	   135.7	 -5313.2	   105.0
-  17725.0000	   131.2	   135.7	 -5327.2	   105.0
-  17730.0000	   128.0	   135.7	 -5330.4	   105.0
-  17735.0000	   132.8	   135.8	 -5325.7	   105.0
-  17740.0000	   132.8	   135.8	 -5325.7	   105.0
-  17745.0000	   136.6	   135.8	 -5321.9	   105.0
-  17750.0000	    99.2	   135.8	 -5359.3	   105.1
-  17755.0000	   125.2	   135.8	 -5333.3	   105.1
-  17760.0000	   122.5	   135.9	 -5336.1	   105.1
-  17765.0000	   120.9	   135.9	 -5337.7	   105.1
-  17770.0000	   140.5	   135.9	 -5318.1	   105.1
-  17775.0000	   151.9	   135.9	 -5306.7	   105.2
-  17780.0000	   116.4	   135.9	 -5342.2	   105.2
-  17785.0000	   132.8	   135.9	 -5325.9	   105.2
-  17790.0000	   127.8	   136.0	 -5330.9	   105.2
-  17795.0000	   142.6	   136.0	 -5316.1	   105.2
-  17800.0000	   116.8	   136.0	 -5341.9	   105.2
-  17805.0000	   148.1	   136.0	 -5310.6	   105.3
-  17810.0000	   158.0	   136.0	 -5300.7	   105.3
-  17815.0000	   150.0	   136.1	 -5308.8	   105.3
-  17820.0000	   130.5	   136.1	 -5328.3	   105.3
-  17825.0000	   133.8	   136.1	 -5325.0	   105.3
-  17830.0000	   142.0	   136.1	 -5316.8	   105.4
-  17835.0000	   145.6	   136.1	 -5313.2	   105.4
-  17840.0000	   159.2	   136.2	 -5299.7	   105.4
-  17845.0000	   165.8	   136.2	 -5293.1	   105.4
-  17850.0000	   157.5	   136.2	 -5301.4	   105.4
-  17855.0000	   147.9	   136.2	 -5311.0	   105.5
-  17860.0000	   151.5	   136.2	 -5307.4	   105.5
-  17865.0000	   133.2	   136.2	 -5325.7	   105.5
-  17870.0000	   139.8	   136.3	 -5319.2	   105.5
-  17875.0000	   158.5	   136.3	 -5300.5	   105.5
-  17880.0000	   122.0	   136.3	 -5337.0	   105.5
-  17885.0000	   142.0	   136.3	 -5317.0	   105.6
-  17890.0000	   142.2	   136.3	 -5316.8	   105.6
-  17895.0000	   179.1	   136.4	 -5280.0	   105.6
-  17900.0000	   144.2	   136.4	 -5314.9	   105.6
-  17905.0000	   152.5	   136.4	 -5306.6	   105.6
-  17910.0000	   139.4	   136.4	 -5319.7	   105.7
-  17915.0000	   115.9	   136.4	 -5343.2	   105.7
-  17920.0000	   151.4	   136.4	 -5307.8	   105.7
-  17925.0000	   119.5	   136.5	 -5339.7	   105.7
-  17930.0000	   143.3	   136.5	 -5315.9	   105.7
-  17935.0000	   153.4	   136.5	 -5305.8	   105.8
-  17940.0000	   160.4	   136.5	 -5298.8	   105.8
-  17945.0000	   169.2	   136.5	 -5290.0	   105.8
-  17950.0000	   126.9	   136.6	 -5332.4	   105.8
-  17955.0000	   138.8	   136.6	 -5320.5	   105.8
-  17960.0000	   145.8	   136.6	 -5313.5	   105.8
-  17965.0000	   183.5	   136.6	 -5275.8	   105.9
-  17970.0000	   166.5	   136.6	 -5292.8	   105.9
-  17975.0000	   151.6	   136.7	 -5307.8	   105.9
-  17980.0000	   156.7	   136.7	 -5302.7	   105.9
-  17985.0000	   148.5	   136.7	 -5310.9	   105.9
-  17990.0000	   189.5	   136.7	 -5269.9	   106.0
-  17995.0000	   200.2	   136.7	 -5259.2	   106.0
-  18000.0000	   145.7	   136.7	 -5313.8	   106.0
-  18005.0000	   168.0	   136.8	 -5291.5	   106.0
-  18010.0000	   157.7	   136.8	 -5301.8	   106.0
-  18015.0000	   171.7	   136.8	 -5287.8	   106.0
-  18020.0000	   206.5	   136.8	 -5253.0	   106.1
-  18025.0000	   172.1	   136.8	 -5287.4	   106.1
-  18030.0000	   165.2	   136.9	 -5294.4	   106.1
-  18035.0000	   181.0	   136.9	 -5278.6	   106.1
-  18040.0000	   145.1	   136.9	 -5314.5	   106.1
-  18045.0000	   148.6	   136.9	 -5311.0	   106.2
-  18050.0000	   153.8	   136.9	 -5305.8	   106.2
-  18055.0000	   142.0	   137.0	 -5317.7	   106.2
-  18060.0000	   142.3	   137.0	 -5317.4	   106.2
-  18065.0000	   152.7	   137.0	 -5307.0	   106.2
-  18070.0000	   145.7	   137.0	 -5314.0	   106.3
-  18075.0000	   130.7	   137.0	 -5329.0	   106.3
-  18080.0000	   111.5	   137.0	 -5348.2	   106.3
-  18085.0000	   149.8	   137.1	 -5310.0	   106.3
-  18090.0000	   106.3	   137.1	 -5353.5	   106.3
-  18095.0000	   129.4	   137.1	 -5330.4	   106.3
-  18100.0000	   136.4	   137.1	 -5323.4	   106.4
-  18105.0000	   134.7	   137.1	 -5325.1	   106.4
-  18110.0000	   103.2	   137.2	 -5356.7	   106.4
-  18115.0000	   158.1	   137.2	 -5301.8	   106.4
-  18120.0000	   119.5	   137.2	 -5340.4	   106.4
-  18125.0000	   142.3	   137.2	 -5317.6	   106.5
-  18130.0000	   132.1	   137.2	 -5327.8	   106.5
-  18135.0000	   139.4	   137.2	 -5320.6	   106.5
-  18140.0000	   141.2	   137.3	 -5318.8	   106.5
-  18145.0000	   141.2	   137.3	 -5318.8	   106.5
-  18150.0000	   113.2	   137.3	 -5346.8	   106.5
-  18155.0000	   113.4	   137.3	 -5346.6	   106.6
-  18160.0000	   129.4	   137.3	 -5330.6	   106.6
-  18165.0000	   129.4	   137.4	 -5330.7	   106.6
-  18170.0000	   165.2	   137.4	 -5294.9	   106.6
-  18175.0000	   117.5	   137.4	 -5342.6	   106.6
-  18180.0000	   117.5	   137.4	 -5342.6	   106.7
-  18185.0000	   112.4	   137.4	 -5347.7	   106.7
-  18190.0000	   137.4	   137.4	 -5322.8	   106.7
-  18195.0000	   148.3	   137.5	 -5311.9	   106.7
-  18200.0000	   130.5	   137.5	 -5329.7	   106.7
-  18205.0000	   121.8	   137.5	 -5338.4	   106.7
-  18210.0000	   111.3	   137.5	 -5348.9	   106.8
-  18215.0000	   129.2	   137.5	 -5331.0	   106.8
-  18220.0000	   136.4	   137.6	 -5323.9	   106.8
-  18225.0000	   125.9	   137.6	 -5334.4	   106.8
-  18230.0000	   156.9	   137.6	 -5303.4	   106.8
-  18235.0000	   135.2	   137.6	 -5325.1	   106.9
-  18240.0000	   140.7	   137.6	 -5319.6	   106.9
-  18245.0000	   130.1	   137.6	 -5330.3	   106.9
-  18250.0000	   137.6	   137.7	 -5322.8	   106.9
-  18255.0000	   143.0	   137.7	 -5317.4	   106.9
-  18260.0000	   132.5	   137.7	 -5327.9	   107.0
-  18265.0000	   156.0	   137.7	 -5304.4	   107.0
-  18270.0000	   118.2	   137.7	 -5342.2	   107.0
-  18275.0000	   127.3	   137.8	 -5333.2	   107.0
-  18280.0000	   155.0	   137.8	 -5305.5	   107.0
-  18285.0000	   155.0	   137.8	 -5305.5	   107.0
-  18290.0000	   127.9	   137.8	 -5332.6	   107.1
-  18295.0000	   126.1	   137.8	 -5334.4	   107.1
-  18300.0000	   130.0	   137.9	 -5330.6	   107.1
-  18305.0000	   135.5	   137.9	 -5325.1	   107.1
-  18310.0000	   124.8	   137.9	 -5335.8	   107.1
-  18315.0000	   152.7	   137.9	 -5307.9	   107.2
-  18320.0000	   141.7	   137.9	 -5318.9	   107.2
-  18325.0000	   149.1	   137.9	 -5311.5	   107.2
-  18330.0000	   132.8	   138.0	 -5327.9	   107.2
-  18335.0000	   105.4	   138.0	 -5355.3	   107.2
-  18340.0000	   144.2	   138.0	 -5316.5	   107.2
-  18345.0000	   131.2	   138.0	 -5329.5	   107.3
-  18350.0000	   129.7	   138.0	 -5331.0	   107.3
-  18355.0000	   143.0	   138.0	 -5317.8	   107.3
-  18360.0000	   118.8	   138.1	 -5342.0	   107.3
-  18365.0000	   128.1	   138.1	 -5332.7	   107.3
-  18370.0000	   121.2	   138.1	 -5339.6	   107.4
-  18375.0000	   156.6	   138.1	 -5304.2	   107.4
-  18380.0000	   136.1	   138.1	 -5324.7	   107.4
-  18385.0000	   113.7	   138.2	 -5347.2	   107.4
-  18390.0000	   101.1	   138.2	 -5359.8	   107.4
-  18395.0000	   138.5	   138.2	 -5322.4	   107.4
-  18400.0000	   140.4	   138.2	 -5320.5	   107.5
-  18405.0000	   144.1	   138.2	 -5316.8	   107.5
-  18410.0000	   116.5	   138.2	 -5344.5	   107.5
-  18415.0000	   146.6	   138.3	 -5314.4	   107.5
-  18420.0000	   122.2	   138.3	 -5338.8	   107.5
-  18425.0000	   122.2	   138.3	 -5338.8	   107.5
-  18430.0000	   137.8	   138.3	 -5323.2	   107.6
-  18435.0000	   117.1	   138.3	 -5343.9	   107.6
-  18440.0000	   143.5	   138.4	 -5317.6	   107.6
-  18445.0000	   129.0	   138.4	 -5332.1	   107.6
-  18450.0000	   130.9	   138.4	 -5330.2	   107.6
-  18455.0000	   117.6	   138.4	 -5343.5	   107.7
-  18460.0000	   134.7	   138.4	 -5326.4	   107.7
-  18465.0000	   135.2	   138.4	 -5325.9	   107.7
-  18470.0000	   146.6	   138.5	 -5314.6	   107.7
-  18475.0000	   169.5	   138.5	 -5291.7	   107.7
-  18480.0000	   139.0	   138.5	 -5322.2	   107.7
-  18485.0000	   141.6	   138.5	 -5319.6	   107.8
-  18490.0000	   118.6	   138.5	 -5342.6	   107.8
-  18495.0000	   177.9	   138.6	 -5283.4	   107.8
-  18500.0000	   138.1	   138.6	 -5323.2	   107.8
-  18505.0000	   126.8	   138.6	 -5334.5	   107.8
-  18510.0000	   151.8	   138.6	 -5309.5	   107.9
-  18515.0000	   101.8	   138.6	 -5359.5	   107.9
-  18520.0000	   136.7	   138.6	 -5324.6	   107.9
-  18525.0000	   154.5	   138.7	 -5306.9	   107.9
-  18530.0000	   144.8	   138.7	 -5316.6	   107.9
-  18535.0000	   135.2	   138.7	 -5326.2	   107.9
-  18540.0000	   147.1	   138.7	 -5314.3	   108.0
-  18545.0000	   120.3	   138.7	 -5341.1	   108.0
-  18550.0000	   145.5	   138.7	 -5315.9	   108.0
-  18555.0000	   124.5	   138.8	 -5337.0	   108.0
-  18560.0000	   138.1	   138.8	 -5323.4	   108.0
-  18565.0000	   136.4	   138.8	 -5325.1	   108.0
-  18570.0000	   122.8	   138.8	 -5338.7	   108.1
-  18575.0000	   173.9	   138.8	 -5287.6	   108.1
-  18580.0000	   140.7	   138.9	 -5320.9	   108.1
-  18585.0000	   131.1	   138.9	 -5330.5	   108.1
-  18590.0000	   146.8	   138.9	 -5314.8	   108.1
-  18595.0000	   119.7	   138.9	 -5341.9	   108.1
-  18600.0000	   149.1	   138.9	 -5312.5	   108.2
-  18605.0000	   147.5	   138.9	 -5314.1	   108.2
-  18610.0000	   145.6	   139.0	 -5316.1	   108.2
-  18615.0000	   142.0	   139.0	 -5319.7	   108.2
-  18620.0000	   124.2	   139.0	 -5337.5	   108.2
-  18625.0000	   126.5	   139.0	 -5335.2	   108.3
-  18630.0000	   130.8	   139.0	 -5330.9	   108.3
-  18635.0000	   140.7	   139.0	 -5321.0	   108.3
-  18640.0000	   144.6	   139.1	 -5317.2	   108.3
-  18645.0000	   137.0	   139.1	 -5324.8	   108.3
-  18650.0000	   147.3	   139.1	 -5314.5	   108.3
-  18655.0000	   161.2	   139.1	 -5300.6	   108.4
-  18660.0000	   137.7	   139.1	 -5324.1	   108.4
-  18665.0000	   129.7	   139.1	 -5332.2	   108.4
-  18670.0000	   146.0	   139.2	 -5315.9	   108.4
-  18675.0000	   134.0	   139.2	 -5327.9	   108.4
-  18680.0000	   154.3	   139.2	 -5307.6	   108.4
-  18685.0000	   136.6	   139.2	 -5325.3	   108.5
-  18690.0000	   138.6	   139.2	 -5323.3	   108.5
-  18695.0000	   128.6	   139.2	 -5333.4	   108.5
-  18700.0000	   128.9	   139.3	 -5333.1	   108.5
-  18705.0000	   151.4	   139.3	 -5310.6	   108.5
-  18710.0000	   157.5	   139.3	 -5304.5	   108.5
-  18715.0000	   151.4	   139.3	 -5310.6	   108.6
-  18720.0000	   147.7	   139.3	 -5314.3	   108.6
-  18725.0000	   138.0	   139.4	 -5324.1	   108.6
-  18730.0000	   146.1	   139.4	 -5316.0	   108.6
-  18735.0000	   164.4	   139.4	 -5297.7	   108.6
-  18740.0000	   126.4	   139.4	 -5335.7	   108.6
-  18745.0000	   106.0	   139.4	 -5356.1	   108.7
-  18750.0000	   116.2	   139.4	 -5345.9	   108.7
-  18755.0000	   116.2	   139.5	 -5346.0	   108.7
-  18760.0000	   157.6	   139.5	 -5304.6	   108.7
-  18765.0000	   153.5	   139.5	 -5308.7	   108.7
-  18770.0000	   120.8	   139.5	 -5341.4	   108.8
-  18775.0000	   165.8	   139.5	 -5296.4	   108.8
-  18780.0000	   170.6	   139.5	 -5291.6	   108.8
-  18785.0000	   148.0	   139.6	 -5314.3	   108.8
-  18790.0000	   139.8	   139.6	 -5322.5	   108.8
-  18795.0000	   178.8	   139.6	 -5283.5	   108.8
-  18800.0000	   134.2	   139.6	 -5328.1	   108.9
-  18805.0000	   138.4	   139.6	 -5323.9	   108.9
-  18810.0000	   163.2	   139.6	 -5299.1	   108.9
-  18815.0000	   161.4	   139.7	 -5301.0	   108.9
-  18820.0000	   114.2	   139.7	 -5348.2	   108.9
-  18825.0000	   143.2	   139.7	 -5319.2	   108.9
-  18830.0000	   197.2	   139.7	 -5265.2	   109.0
-  18835.0000	   118.6	   139.7	 -5343.8	   109.0
-  18840.0000	   168.9	   139.7	 -5293.5	   109.0
-  18845.0000	   135.6	   139.8	 -5326.9	   109.0
-  18850.0000	   148.1	   139.8	 -5314.4	   109.0
-  18855.0000	   150.5	   139.8	 -5312.0	   109.0
-  18860.0000	   119.5	   139.8	 -5343.0	   109.1
-  18865.0000	   150.9	   139.8	 -5311.6	   109.1
-  18870.0000	   142.9	   139.8	 -5319.6	   109.1
-  18875.0000	   113.5	   139.9	 -5349.1	   109.1
-  18880.0000	   153.7	   139.9	 -5308.9	   109.1
-  18885.0000	   130.6	   139.9	 -5332.0	   109.1
-  18890.0000	   145.6	   139.9	 -5317.0	   109.2
-  18895.0000	   156.6	   139.9	 -5306.0	   109.2
-  18900.0000	   127.0	   139.9	 -5335.6	   109.2
-  18905.0000	   118.5	   140.0	 -5344.2	   109.2
-  18910.0000	   112.4	   140.0	 -5350.3	   109.2
-  18915.0000	   108.4	   140.0	 -5354.3	   109.2
-  18920.0000	   174.3	   140.0	 -5288.4	   109.3
-  18925.0000	   132.1	   140.0	 -5330.6	   109.3
-  18930.0000	   155.5	   140.0	 -5307.2	   109.3
-  18935.0000	   151.7	   140.1	 -5311.1	   109.3
-  18940.0000	   123.9	   140.1	 -5338.9	   109.3
-  18945.0000	   160.6	   140.1	 -5302.2	   109.3
-  18950.0000	   145.6	   140.1	 -5317.2	   109.3
-  18955.0000	   150.3	   140.1	 -5312.5	   109.4
-  18960.0000	   146.0	   140.1	 -5316.8	   109.4
-  18965.0000	   167.8	   140.2	 -5295.1	   109.4
-  18970.0000	   124.8	   140.2	 -5338.1	   109.4
-  18975.0000	   120.8	   140.2	 -5342.1	   109.4
-  18980.0000	   125.1	   140.2	 -5337.8	   109.4
-  18985.0000	   108.1	   140.2	 -5354.8	   109.5
-  18990.0000	   160.0	   140.2	 -5302.9	   109.5
-  18995.0000	   149.5	   140.2	 -5313.5	   109.5
-  19000.0000	   119.4	   140.3	 -5343.6	   109.5
-  19005.0000	   130.3	   140.3	 -5332.7	   109.5
-  19010.0000	   108.6	   140.3	 -5354.4	   109.5
-  19015.0000	   126.3	   140.3	 -5336.7	   109.6
-  19020.0000	   178.9	   140.3	 -5284.1	   109.6
-  19025.0000	   130.9	   140.3	 -5332.1	   109.6
-  19030.0000	   133.1	   140.4	 -5330.0	   109.6
-  19035.0000	   153.0	   140.4	 -5310.1	   109.6
-  19040.0000	   120.6	   140.4	 -5342.5	   109.6
-  19045.0000	   127.1	   140.4	 -5336.0	   109.7
-  19050.0000	   188.5	   140.4	 -5274.6	   109.7
-  19055.0000	   118.9	   140.4	 -5344.2	   109.7
-  19060.0000	   169.5	   140.5	 -5293.7	   109.7
-  19065.0000	   158.5	   140.5	 -5304.7	   109.7
-  19070.0000	   145.3	   140.5	 -5317.9	   109.7
-  19075.0000	   137.2	   140.5	 -5326.0	   109.8
-  19080.0000	   154.9	   140.5	 -5308.3	   109.8
-  19085.0000	   152.6	   140.5	 -5310.6	   109.8
-  19090.0000	   154.9	   140.6	 -5308.4	   109.8
-  19095.0000	   148.9	   140.6	 -5314.4	   109.8
-  19100.0000	   128.9	   140.6	 -5334.4	   109.8
-  19105.0000	   168.9	   140.6	 -5294.4	   109.8
-  19110.0000	   113.6	   140.6	 -5349.7	   109.9
-  19115.0000	   140.7	   140.6	 -5322.6	   109.9
-  19120.0000	   151.9	   140.6	 -5311.4	   109.9
-  19125.0000	   118.4	   140.7	 -5345.0	   109.9
-  19130.0000	   157.1	   140.7	 -5306.3	   109.9
-  19135.0000	   143.6	   140.7	 -5319.8	   109.9
-  19140.0000	   154.8	   140.7	 -5308.6	   110.0
-  19145.0000	   139.1	   140.7	 -5324.3	   110.0
-  19150.0000	   157.9	   140.7	 -5305.5	   110.0
-  19155.0000	   146.6	   140.8	 -5316.9	   110.0
-  19160.0000	   119.5	   140.8	 -5344.0	   110.0
-  19165.0000	   146.6	   140.8	 -5316.9	   110.0
-  19170.0000	   154.0	   140.8	 -5309.5	   110.0
-  19175.0000	   135.9	   140.8	 -5327.6	   110.1
-  19180.0000	   163.1	   140.8	 -5300.4	   110.1
-  19185.0000	   140.7	   140.8	 -5322.9	   110.1
-  19190.0000	   118.3	   140.9	 -5345.3	   110.1
-  19195.0000	   125.2	   140.9	 -5338.4	   110.1
-  19200.0000	   132.0	   140.9	 -5331.6	   110.1
-  19205.0000	   164.3	   140.9	 -5299.3	   110.2
-  19210.0000	   150.9	   140.9	 -5312.7	   110.2
-  19215.0000	   130.3	   140.9	 -5333.3	   110.2
-  19220.0000	   130.3	   141.0	 -5333.4	   110.2
-  19225.0000	   112.3	   141.0	 -5351.4	   110.2
-  19230.0000	   167.7	   141.0	 -5296.0	   110.2
-  19235.0000	   108.0	   141.0	 -5355.7	   110.2
-  19240.0000	   177.3	   141.0	 -5286.4	   110.3
-  19245.0000	   168.1	   141.0	 -5295.6	   110.3
-  19250.0000	   129.3	   141.0	 -5334.4	   110.3
-  19255.0000	   122.3	   141.1	 -5341.5	   110.3
-  19260.0000	   120.3	   141.1	 -5343.5	   110.3
-  19265.0000	   118.0	   141.1	 -5345.8	   110.3
-  19270.0000	   134.5	   141.1	 -5329.3	   110.4
-  19275.0000	   169.3	   141.1	 -5294.5	   110.4
-  19280.0000	   106.9	   141.1	 -5356.9	   110.4
-  19285.0000	   162.7	   141.1	 -5301.2	   110.4
-  19290.0000	   109.5	   141.2	 -5354.4	   110.4
-  19295.0000	   139.8	   141.2	 -5324.1	   110.4
-  19300.0000	   133.1	   141.2	 -5330.8	   110.4
-  19305.0000	   130.7	   141.2	 -5333.2	   110.5
-  19310.0000	   152.2	   141.2	 -5311.7	   110.5
-  19315.0000	   173.6	   141.2	 -5290.3	   110.5
-  19320.0000	   159.5	   141.3	 -5304.5	   110.5
-  19325.0000	   131.3	   141.3	 -5332.7	   110.5
-  19330.0000	   136.3	   141.3	 -5327.7	   110.5
-  19335.0000	    98.9	   141.3	 -5365.1	   110.5
-  19340.0000	   162.5	   141.3	 -5301.5	   110.6
-  19345.0000	   146.3	   141.3	 -5317.7	   110.6
-  19350.0000	   158.1	   141.3	 -5305.9	   110.6
-  19355.0000	   158.5	   141.4	 -5305.6	   110.6
-  19360.0000	   127.8	   141.4	 -5336.3	   110.6
-  19365.0000	   125.7	   141.4	 -5338.4	   110.6
-  19370.0000	   140.3	   141.4	 -5323.8	   110.6
-  19375.0000	   180.7	   141.4	 -5283.4	   110.7
-  19380.0000	   145.0	   141.4	 -5319.1	   110.7
-  19385.0000	   131.0	   141.4	 -5333.1	   110.7
-  19390.0000	   157.6	   141.5	 -5306.6	   110.7
-  19395.0000	   136.1	   141.5	 -5328.1	   110.7
-  19400.0000	   131.3	   141.5	 -5332.9	   110.7
-  19405.0000	   138.8	   141.5	 -5325.4	   110.7
-  19410.0000	   131.9	   141.5	 -5332.3	   110.8
-  19415.0000	   131.9	   141.5	 -5332.3	   110.8
-  19420.0000	   124.7	   141.5	 -5339.5	   110.8
-  19425.0000	   166.2	   141.6	 -5298.1	   110.8
-  19430.0000	   156.6	   141.6	 -5307.7	   110.8
-  19435.0000	   108.4	   141.6	 -5355.9	   110.8
-  19440.0000	   137.3	   141.6	 -5327.0	   110.8
-  19445.0000	   162.2	   141.6	 -5302.1	   110.9
-  19450.0000	   147.6	   141.6	 -5316.7	   110.9
-  19455.0000	   125.9	   141.6	 -5338.4	   110.9
-  19460.0000	   130.7	   141.7	 -5333.7	   110.9
-  19465.0000	   136.2	   141.7	 -5328.2	   110.9
-  19470.0000	   158.1	   141.7	 -5306.3	   110.9
-  19475.0000	   165.4	   141.7	 -5299.0	   110.9
-  19480.0000	   121.6	   141.7	 -5342.8	   111.0
-  19485.0000	   144.3	   141.7	 -5320.1	   111.0
-  19490.0000	   151.7	   141.7	 -5312.7	   111.0
-  19495.0000	   149.2	   141.8	 -5315.3	   111.0
-  19500.0000	   110.3	   141.8	 -5354.2	   111.0
-  19505.0000	   122.9	   141.8	 -5341.6	   111.0
-  19510.0000	   157.4	   141.8	 -5307.1	   111.0
-  19515.0000	   130.3	   141.8	 -5334.2	   111.1
-  19520.0000	   147.9	   141.8	 -5316.6	   111.1
-  19525.0000	   138.3	   141.8	 -5326.2	   111.1
-  19530.0000	    98.8	   141.9	 -5365.8	   111.1
-  19535.0000	   165.5	   141.9	 -5299.1	   111.1
-  19540.0000	   146.1	   141.9	 -5318.5	   111.1
-  19545.0000	   149.0	   141.9	 -5315.6	   111.1
-  19550.0000	   158.9	   141.9	 -5305.7	   111.2
-  19555.0000	   154.3	   141.9	 -5310.3	   111.2
-  19560.0000	   104.8	   141.9	 -5359.8	   111.2
-  19565.0000	   137.2	   141.9	 -5327.5	   111.2
-  19570.0000	   122.2	   142.0	 -5342.5	   111.2
-  19575.0000	   135.0	   142.0	 -5329.7	   111.2
-  19580.0000	   145.3	   142.0	 -5319.4	   111.2
-  19585.0000	   152.9	   142.0	 -5311.8	   111.2
-  19590.0000	   130.3	   142.0	 -5334.4	   111.3
-  19595.0000	   125.5	   142.0	 -5339.2	   111.3
-  19600.0000	   151.0	   142.0	 -5313.7	   111.3
-  19605.0000	   156.0	   142.1	 -5308.8	   111.3
-  19610.0000	   121.1	   142.1	 -5343.7	   111.3
-  19615.0000	   138.7	   142.1	 -5326.1	   111.3
-  19620.0000	   161.8	   142.1	 -5303.0	   111.3
-  19625.0000	   156.7	   142.1	 -5308.1	   111.4
-  19630.0000	   144.3	   142.1	 -5320.5	   111.4
-  19635.0000	   124.0	   142.1	 -5340.8	   111.4
-  19640.0000	   142.1	   142.1	 -5322.8	   111.4
-  19645.0000	   134.5	   142.2	 -5330.4	   111.4
-  19650.0000	   155.1	   142.2	 -5309.8	   111.4
-  19655.0000	   132.2	   142.2	 -5332.7	   111.4
-  19660.0000	   109.6	   142.2	 -5355.3	   111.4
-  19665.0000	   163.1	   142.2	 -5301.8	   111.5
-  19670.0000	   122.5	   142.2	 -5342.4	   111.5
-  19675.0000	   104.7	   142.2	 -5360.2	   111.5
-  19680.0000	   166.3	   142.3	 -5298.7	   111.5
-  19685.0000	   107.7	   142.3	 -5357.3	   111.5
-  19690.0000	   120.5	   142.3	 -5344.5	   111.5
-  19695.0000	   130.8	   142.3	 -5334.2	   111.5
-  19700.0000	   141.4	   142.3	 -5323.6	   111.6
-  19705.0000	   128.8	   142.3	 -5336.2	   111.6
-  19710.0000	   131.3	   142.3	 -5333.7	   111.6
-  19715.0000	   131.3	   142.3	 -5333.8	   111.6
-  19720.0000	   160.1	   142.4	 -5305.0	   111.6
-  19725.0000	   126.8	   142.4	 -5338.3	   111.6
-  19730.0000	   142.3	   142.4	 -5322.8	   111.6
-  19735.0000	   160.4	   142.4	 -5304.7	   111.6
-  19740.0000	   137.8	   142.4	 -5327.3	   111.7
-  19745.0000	   132.6	   142.4	 -5332.5	   111.7
-  19750.0000	   140.4	   142.4	 -5324.7	   111.7
-  19755.0000	   130.0	   142.4	 -5335.2	   111.7
-  19760.0000	   156.7	   142.5	 -5308.5	   111.7
-  19765.0000	   141.0	   142.5	 -5324.2	   111.7
-  19770.0000	   120.1	   142.5	 -5345.1	   111.7
-  19775.0000	   104.5	   142.5	 -5360.7	   111.7
-  19780.0000	   157.4	   142.5	 -5307.8	   111.8
-  19785.0000	   181.0	   142.5	 -5284.2	   111.8
-  19790.0000	   120.7	   142.5	 -5344.5	   111.8
-  19795.0000	   126.5	   142.6	 -5338.8	   111.8
-  19800.0000	   176.5	   142.6	 -5288.8	   111.8
-  19805.0000	   139.6	   142.6	 -5325.7	   111.8
-  19810.0000	   163.4	   142.6	 -5301.9	   111.8
-  19815.0000	   150.8	   142.6	 -5314.5	   111.8
-  19820.0000	   148.2	   142.6	 -5317.1	   111.9
-  19825.0000	   121.7	   142.6	 -5343.6	   111.9
-  19830.0000	   121.7	   142.6	 -5343.6	   111.9
-  19835.0000	   127.6	   142.7	 -5337.8	   111.9
-  19840.0000	   114.3	   142.7	 -5351.1	   111.9
-  19845.0000	   151.5	   142.7	 -5313.9	   111.9
-  19850.0000	   146.2	   142.7	 -5319.2	   111.9
-  19855.0000	   146.8	   142.7	 -5318.6	   111.9
-  19860.0000	   146.8	   142.7	 -5318.6	   112.0
-  19865.0000	   120.1	   142.7	 -5345.3	   112.0
-  19870.0000	   120.3	   142.7	 -5345.1	   112.0
-  19875.0000	   152.8	   142.7	 -5312.7	   112.0
-  19880.0000	   166.2	   142.8	 -5299.3	   112.0
-  19885.0000	   136.7	   142.8	 -5328.8	   112.0
-  19890.0000	   153.2	   142.8	 -5312.3	   112.0
-  19895.0000	   129.3	   142.8	 -5336.2	   112.0
-  19900.0000	   115.9	   142.8	 -5349.6	   112.1
-  19905.0000	   115.9	   142.8	 -5349.6	   112.1
-  19910.0000	    97.3	   142.8	 -5368.2	   112.1
-  19915.0000	   119.2	   142.8	 -5346.4	   112.1
-  19920.0000	   138.1	   142.9	 -5327.5	   112.1
-  19925.0000	   105.8	   142.9	 -5359.8	   112.1
-  19930.0000	   157.4	   142.9	 -5308.2	   112.1
-  19935.0000	   168.6	   142.9	 -5297.0	   112.1
-  19940.0000	   108.8	   142.9	 -5356.8	   112.2
-  19945.0000	   100.8	   142.9	 -5364.8	   112.2
-  19950.0000	   163.5	   142.9	 -5302.1	   112.2
-  19955.0000	    95.6	   142.9	 -5370.0	   112.2
-  19960.0000	   139.3	   143.0	 -5326.4	   112.2
-  19965.0000	   134.1	   143.0	 -5331.6	   112.2
-  19970.0000	   115.0	   143.0	 -5350.7	   112.2
-  19975.0000	   126.2	   143.0	 -5339.5	   112.2
-  19980.0000	   121.0	   143.0	 -5344.7	   112.2
-  19985.0000	   167.7	   143.0	 -5298.0	   112.3
-  19990.0000	   137.5	   143.0	 -5328.2	   112.3
-  19995.0000	   135.0	   143.0	 -5330.7	   112.3
-  20000.0000	   118.8	   143.0	 -5347.0	   112.3
-  20005.0000	   138.2	   143.1	 -5327.6	   112.3
-  20010.0000	   127.4	   143.1	 -5338.4	   112.3
-  20015.0000	   124.7	   143.1	 -5341.1	   112.3
-  20020.0000	   125.0	   143.1	 -5340.8	   112.3
-  20025.0000	   166.6	   143.1	 -5299.2	   112.4
-  20030.0000	   133.6	   143.1	 -5332.2	   112.4
-  20035.0000	   125.2	   143.1	 -5340.6	   112.4
-  20040.0000	   170.1	   143.1	 -5295.7	   112.4
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-  20050.0000	   137.0	   143.2	 -5328.9	   112.4
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-  20060.0000	   117.7	   143.2	 -5348.2	   112.4
-  20065.0000	   137.3	   143.2	 -5328.6	   112.4
-  20070.0000	   112.3	   143.2	 -5353.6	   112.5
-  20075.0000	   152.0	   143.2	 -5313.9	   112.5
-  20080.0000	   132.3	   143.2	 -5333.6	   112.5
-  20085.0000	   126.7	   143.2	 -5339.2	   112.5
-  20090.0000	   124.1	   143.3	 -5341.9	   112.5
-  20095.0000	   141.3	   143.3	 -5324.7	   112.5
-  20100.0000	   141.3	   143.3	 -5324.7	   112.5
-  20105.0000	   147.0	   143.3	 -5319.0	   112.5
-  20110.0000	   119.3	   143.3	 -5346.7	   112.5
-  20115.0000	   147.7	   143.3	 -5318.3	   112.6
-  20120.0000	   156.2	   143.3	 -5309.8	   112.6
-  20125.0000	   102.2	   143.3	 -5363.8	   112.6
-  20130.0000	   128.3	   143.3	 -5337.7	   112.6
-  20135.0000	   128.3	   143.4	 -5337.8	   112.6
-  20140.0000	   151.2	   143.4	 -5314.9	   112.6
-  20145.0000	   134.0	   143.4	 -5332.1	   112.6
-  20150.0000	   140.3	   143.4	 -5325.8	   112.6
-  20155.0000	   143.2	   143.4	 -5322.9	   112.6
-  20160.0000	   137.4	   143.4	 -5328.7	   112.7
-  20165.0000	   143.5	   143.4	 -5322.6	   112.7
-  20170.0000	   106.5	   143.4	 -5359.6	   112.7
-  20175.0000	   164.0	   143.4	 -5302.1	   112.7
-  20180.0000	   138.1	   143.5	 -5328.1	   112.7
-  20185.0000	   141.3	   143.5	 -5324.9	   112.7
-  20190.0000	   133.0	   143.5	 -5333.2	   112.7
-  20195.0000	   112.8	   143.5	 -5353.4	   112.7
-  20200.0000	   147.5	   143.5	 -5318.7	   112.7
-  20205.0000	   162.2	   143.5	 -5304.0	   112.8
-  20210.0000	   110.3	   143.5	 -5355.9	   112.8
-  20215.0000	   113.2	   143.5	 -5353.0	   112.8
-  20220.0000	   142.2	   143.5	 -5324.0	   112.8
-  20225.0000	   130.9	   143.6	 -5335.4	   112.8
-  20230.0000	   183.7	   143.6	 -5282.6	   112.8
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-  20240.0000	   143.2	   143.6	 -5323.1	   112.8
-  20245.0000	   146.4	   143.6	 -5319.9	   112.8
-  20250.0000	   111.3	   143.6	 -5355.0	   112.9
-  20255.0000	   137.7	   143.6	 -5328.6	   112.9
-  20260.0000	   132.2	   143.6	 -5334.1	   112.9
-  20265.0000	   138.3	   143.6	 -5328.0	   112.9
-  20270.0000	   167.8	   143.6	 -5298.6	   112.9
-  20275.0000	   111.9	   143.7	 -5354.5	   112.9
-  20280.0000	    85.5	   143.7	 -5380.9	   112.9
-  20285.0000	   136.0	   143.7	 -5330.4	   112.9
-  20290.0000	   144.9	   143.7	 -5321.5	   112.9
-  20295.0000	   109.6	   143.7	 -5356.8	   112.9
-  20300.0000	   145.2	   143.7	 -5321.2	   113.0
-  20305.0000	   124.7	   143.7	 -5341.7	   113.0
-  20310.0000	   106.9	   143.7	 -5359.5	   113.0
-  20315.0000	   172.6	   143.7	 -5293.8	   113.0
-  20320.0000	   122.0	   143.8	 -5344.5	   113.0
-  20325.0000	   116.3	   143.8	 -5350.2	   113.0
-  20330.0000	   122.2	   143.8	 -5344.3	   113.0
-  20335.0000	   128.5	   143.8	 -5338.0	   113.0
-  20340.0000	   146.4	   143.8	 -5320.1	   113.0
-  20345.0000	   116.8	   143.8	 -5349.7	   113.0
-  20350.0000	   150.1	   143.8	 -5316.4	   113.1
-  20355.0000	    96.1	   143.8	 -5370.4	   113.1
-  20360.0000	   180.1	   143.8	 -5286.4	   113.1
-  20365.0000	   153.5	   143.8	 -5313.0	   113.1
-  20370.0000	   135.7	   143.9	 -5330.9	   113.1
-  20375.0000	   135.7	   143.9	 -5330.9	   113.1
-  20380.0000	   159.8	   143.9	 -5306.8	   113.1
-  20385.0000	   133.0	   143.9	 -5333.6	   113.1
-  20390.0000	   160.5	   143.9	 -5306.1	   113.1
-  20395.0000	   103.0	   143.9	 -5363.6	   113.2
-  20400.0000	   154.5	   143.9	 -5312.1	   113.2
-  20405.0000	   133.6	   143.9	 -5333.0	   113.2
-  20410.0000	   133.9	   143.9	 -5332.7	   113.2
-  20415.0000	   136.9	   143.9	 -5329.7	   113.2
-  20420.0000	   167.4	   144.0	 -5299.3	   113.2
-  20425.0000	   195.6	   144.0	 -5271.1	   113.2
-  20430.0000	   146.7	   144.0	 -5320.0	   113.2
-  20435.0000	   119.2	   144.0	 -5347.5	   113.2
-  20440.0000	   180.3	   144.0	 -5286.4	   113.2
-  20445.0000	   129.0	   144.0	 -5337.7	   113.3
-  20450.0000	   141.2	   144.0	 -5325.5	   113.3
-  20455.0000	   132.0	   144.0	 -5334.7	   113.3
-  20460.0000	   168.9	   144.0	 -5297.8	   113.3
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-  20470.0000	   175.8	   144.1	 -5291.0	   113.3
-  20475.0000	   135.7	   144.1	 -5331.1	   113.3
-  20480.0000	   123.8	   144.1	 -5343.0	   113.3
-  20485.0000	   161.0	   144.1	 -5305.8	   113.3
-  20490.0000	   142.4	   144.1	 -5324.4	   113.3
-  20495.0000	   136.2	   144.1	 -5330.6	   113.3
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-  20505.0000	   143.0	   144.1	 -5323.8	   113.4
-  20510.0000	   139.9	   144.1	 -5326.9	   113.4
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-  20520.0000	   146.9	   144.2	 -5320.0	   113.4
-  20525.0000	   106.3	   144.2	 -5360.6	   113.4
-  20530.0000	   125.0	   144.2	 -5341.9	   113.4
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-  20540.0000	   131.8	   144.2	 -5335.1	   113.4
-  20545.0000	   116.1	   144.2	 -5350.8	   113.4
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-  20555.0000	   147.7	   144.2	 -5319.2	   113.5
-  20560.0000	   126.0	   144.2	 -5340.9	   113.5
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-  20595.0000	   145.8	   144.3	 -5321.2	   113.5
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-  20610.0000	   159.1	   144.3	 -5307.9	   113.6
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-  20620.0000	   111.6	   144.3	 -5355.4	   113.6
-  20625.0000	   181.8	   144.3	 -5285.3	   113.6
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-  20635.0000	   166.1	   144.4	 -5301.0	   113.6
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-  20770.0000	   138.3	   144.6	 -5329.0	   113.9
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-  20820.0000	   103.5	   144.7	 -5363.9	   113.9
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-  20835.0000	   103.9	   144.7	 -5363.5	   114.0
-  20840.0000	   140.8	   144.7	 -5326.6	   114.0
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-  20850.0000	   114.2	   144.8	 -5353.3	   114.0
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-  20860.0000	    90.9	   144.8	 -5376.6	   114.0
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-  20870.0000	   145.1	   144.8	 -5322.4	   114.0
-  20875.0000	   165.7	   144.8	 -5301.8	   114.0
-  20880.0000	   104.8	   144.8	 -5362.7	   114.1
-  20885.0000	   125.1	   144.8	 -5342.4	   114.1
-  20890.0000	   118.6	   144.8	 -5348.9	   114.1
-  20895.0000	   112.0	   144.8	 -5355.5	   114.1
-  20900.0000	   162.9	   144.8	 -5304.6	   114.1
-  20905.0000	   173.1	   144.9	 -5294.5	   114.1
-  20910.0000	   122.5	   144.9	 -5345.1	   114.1
-  20915.0000	   143.2	   144.9	 -5324.4	   114.1
-  20920.0000	   129.6	   144.9	 -5338.0	   114.1
-  20925.0000	   136.6	   144.9	 -5331.0	   114.1
-  20930.0000	   171.1	   144.9	 -5296.5	   114.1
-  20935.0000	   126.6	   144.9	 -5341.0	   114.1
-  20940.0000	   181.4	   144.9	 -5286.2	   114.2
-  20945.0000	   126.9	   144.9	 -5340.7	   114.2
-  20950.0000	   123.8	   144.9	 -5343.8	   114.2
-  20955.0000	   158.2	   144.9	 -5309.4	   114.2
-  20960.0000	   137.5	   144.9	 -5330.1	   114.2
-  20965.0000	   158.5	   145.0	 -5309.2	   114.2
-  20970.0000	   124.3	   145.0	 -5343.4	   114.2
-  20975.0000	   151.9	   145.0	 -5315.8	   114.2
-  20980.0000	   141.8	   145.0	 -5325.9	   114.2
-  20985.0000	   155.7	   145.0	 -5312.0	   114.2
-  20990.0000	   128.3	   145.0	 -5339.4	   114.2
-  20995.0000	   117.9	   145.0	 -5349.8	   114.3
-  21000.0000	   135.5	   145.0	 -5332.2	   114.3
-  21005.0000	   125.1	   145.0	 -5342.6	   114.3
-  21010.0000	   167.3	   145.0	 -5300.4	   114.3
-  21015.0000	   146.4	   145.0	 -5321.3	   114.3
-  21020.0000	   181.6	   145.0	 -5286.2	   114.3
-  21025.0000	   132.7	   145.1	 -5335.1	   114.3
-  21030.0000	   105.1	   145.1	 -5362.7	   114.3
-  21035.0000	   129.8	   145.1	 -5338.0	   114.3
-  21040.0000	   147.4	   145.1	 -5320.4	   114.3
-  21045.0000	   161.4	   145.1	 -5306.4	   114.3
-  21050.0000	    94.9	   145.1	 -5372.9	   114.3
-  21055.0000	   123.3	   145.1	 -5344.5	   114.4
-  21060.0000	   172.7	   145.1	 -5295.1	   114.4
-  21065.0000	   112.8	   145.1	 -5355.0	   114.4
-  21070.0000	   165.9	   145.1	 -5301.9	   114.4
-  21075.0000	   137.9	   145.1	 -5329.9	   114.4
-  21080.0000	    92.0	   145.1	 -5375.9	   114.4
-  21085.0000	   141.5	   145.2	 -5326.4	   114.4
-  21090.0000	   120.5	   145.2	 -5347.4	   114.4
-  21095.0000	   131.4	   145.2	 -5336.5	   114.4
-  21100.0000	   142.1	   145.2	 -5325.8	   114.4
-  21105.0000	   152.7	   145.2	 -5315.2	   114.4
-  21110.0000	   121.3	   145.2	 -5346.6	   114.4
-  21115.0000	   164.1	   145.2	 -5303.8	   114.5
-  21120.0000	   164.1	   145.2	 -5303.8	   114.5
-  21125.0000	   178.3	   145.2	 -5289.6	   114.5
-  21130.0000	   129.1	   145.2	 -5338.8	   114.5
-  21135.0000	   143.4	   145.2	 -5324.5	   114.5
-  21140.0000	   179.2	   145.2	 -5288.8	   114.5
-  21145.0000	    97.0	   145.3	 -5371.0	   114.5
-  21150.0000	   147.6	   145.3	 -5320.4	   114.5
-  21155.0000	   136.8	   145.3	 -5331.2	   114.5
-  21160.0000	   129.6	   145.3	 -5338.4	   114.5
-  21165.0000	   122.8	   145.3	 -5345.2	   114.5
-  21170.0000	   140.9	   145.3	 -5327.1	   114.5
-  21175.0000	   166.2	   145.3	 -5301.8	   114.6
-  21180.0000	   130.1	   145.3	 -5337.9	   114.6
-  21185.0000	   119.8	   145.3	 -5348.2	   114.6
-  21190.0000	   127.0	   145.3	 -5341.0	   114.6
-  21195.0000	   159.7	   145.3	 -5308.3	   114.6
-  21200.0000	   159.7	   145.3	 -5308.4	   114.6
-  21205.0000	   174.9	   145.4	 -5293.2	   114.6
-  21210.0000	   142.1	   145.4	 -5326.0	   114.6
-  21215.0000	   120.2	   145.4	 -5347.9	   114.6
-  21220.0000	   131.5	   145.4	 -5336.6	   114.6
-  21225.0000	   157.4	   145.4	 -5310.7	   114.6
-  21230.0000	   113.5	   145.4	 -5354.6	   114.6
-  21235.0000	   146.4	   145.4	 -5321.7	   114.6
-  21240.0000	   150.4	   145.4	 -5317.7	   114.7
-  21245.0000	   102.9	   145.4	 -5365.2	   114.7
-  21250.0000	   161.8	   145.4	 -5306.3	   114.7
-  21255.0000	   202.2	   145.4	 -5265.9	   114.7
-  21260.0000	   128.9	   145.4	 -5339.2	   114.7
-  21265.0000	   169.9	   145.5	 -5298.3	   114.7
-  21270.0000	   114.5	   145.5	 -5353.7	   114.7
-  21275.0000	   136.7	   145.5	 -5331.5	   114.7
-  21280.0000	   174.0	   145.5	 -5294.2	   114.7
-  21285.0000	   155.7	   145.5	 -5312.5	   114.7
-  21290.0000	   129.8	   145.5	 -5338.4	   114.7
-  21295.0000	   163.5	   145.5	 -5304.7	   114.7
-  21300.0000	   144.9	   145.5	 -5323.3	   114.8
-  21305.0000	   175.2	   145.5	 -5293.0	   114.8
-  21310.0000	   164.0	   145.5	 -5304.2	   114.8
-  21315.0000	   138.3	   145.5	 -5329.9	   114.8
-  21320.0000	   164.4	   145.5	 -5303.8	   114.8
-  21325.0000	   191.0	   145.6	 -5277.3	   114.8
-  21330.0000	   127.3	   145.6	 -5341.0	   114.8
-  21335.0000	   112.6	   145.6	 -5355.7	   114.8
-  21340.0000	   142.6	   145.6	 -5325.7	   114.8
-  21345.0000	   158.0	   145.6	 -5310.3	   114.8
-  21350.0000	   135.7	   145.6	 -5332.6	   114.8
-  21355.0000	   162.1	   145.6	 -5306.2	   114.8
-  21360.0000	   105.6	   145.6	 -5362.7	   114.9
-  21365.0000	   151.2	   145.6	 -5317.1	   114.9
-  21370.0000	   159.0	   145.6	 -5309.3	   114.9
-  21375.0000	   136.3	   145.6	 -5332.0	   114.9
-  21380.0000	   163.3	   145.6	 -5305.0	   114.9
-  21385.0000	   136.7	   145.6	 -5331.7	   114.9
-  21390.0000	   171.3	   145.7	 -5297.1	   114.9
-  21395.0000	   152.2	   145.7	 -5316.2	   114.9
-  21400.0000	   133.5	   145.7	 -5334.9	   114.9
-  21405.0000	   141.4	   145.7	 -5327.0	   114.9
-  21410.0000	   141.4	   145.7	 -5327.0	   114.9
-  21415.0000	   172.0	   145.7	 -5296.4	   114.9
-  21420.0000	   149.3	   145.7	 -5319.1	   115.0
-  21425.0000	   134.4	   145.7	 -5334.0	   115.0
-  21430.0000	   111.3	   145.7	 -5357.1	   115.0
-  21435.0000	   176.6	   145.7	 -5291.8	   115.0
-  21440.0000	   207.6	   145.7	 -5260.8	   115.0
-  21445.0000	   146.4	   145.7	 -5322.1	   115.0
-  21450.0000	   111.7	   145.8	 -5356.8	   115.0
-  21455.0000	   157.9	   145.8	 -5310.6	   115.0
-  21460.0000	   150.6	   145.8	 -5317.9	   115.0
-  21465.0000	   123.8	   145.8	 -5344.7	   115.0
-  21470.0000	   181.8	   145.8	 -5286.7	   115.0
-  21475.0000	   143.1	   145.8	 -5325.4	   115.0
-  21480.0000	   132.2	   145.8	 -5336.3	   115.1
-  21485.0000	   128.3	   145.8	 -5340.2	   115.1
-  21490.0000	   120.5	   145.8	 -5348.0	   115.1
-  21495.0000	   186.6	   145.8	 -5281.9	   115.1
-  21500.0000	   148.3	   145.8	 -5320.2	   115.1
-  21505.0000	   191.3	   145.8	 -5277.3	   115.1
-  21510.0000	   113.2	   145.9	 -5355.4	   115.1
-  21515.0000	   160.0	   145.9	 -5308.6	   115.1
-  21520.0000	   168.6	   145.9	 -5300.0	   115.1
-  21525.0000	   121.6	   145.9	 -5347.0	   115.1
-  21530.0000	   109.8	   145.9	 -5358.8	   115.1
-  21535.0000	   141.4	   145.9	 -5327.2	   115.1
-  21540.0000	   122.0	   145.9	 -5346.6	   115.2
-  21545.0000	   165.3	   145.9	 -5303.3	   115.2
-  21550.0000	   125.9	   145.9	 -5342.7	   115.2
-  21555.0000	   134.0	   145.9	 -5334.6	   115.2
-  21560.0000	   122.4	   145.9	 -5346.2	   115.2
-  21565.0000	   126.4	   145.9	 -5342.3	   115.2
-  21570.0000	   134.3	   146.0	 -5334.4	   115.2
-  21575.0000	   158.3	   146.0	 -5310.4	   115.2
-  21580.0000	   103.1	   146.0	 -5365.6	   115.2
-  21585.0000	   130.9	   146.0	 -5337.8	   115.2
-  21590.0000	   167.0	   146.0	 -5301.7	   115.2
-  21595.0000	   135.5	   146.0	 -5333.2	   115.2
-  21600.0000	   139.4	   146.0	 -5329.3	   115.3
-  21605.0000	   151.4	   146.0	 -5317.3	   115.3
-  21610.0000	   155.7	   146.0	 -5313.0	   115.3
-  21615.0000	    80.1	   146.0	 -5388.6	   115.3
-  21620.0000	   172.1	   146.0	 -5296.6	   115.3
-  21625.0000	   160.1	   146.0	 -5308.7	   115.3
-  21630.0000	   184.5	   146.1	 -5284.3	   115.3
-  21635.0000	   172.9	   146.1	 -5295.9	   115.3
-  21640.0000	   132.7	   146.1	 -5336.1	   115.3
-  21645.0000	   112.6	   146.1	 -5356.2	   115.3
-  21650.0000	   125.0	   146.1	 -5343.8	   115.3
-  21655.0000	   177.9	   146.1	 -5290.9	   115.3
-  21660.0000	   141.5	   146.1	 -5327.3	   115.4
-  21665.0000	   141.8	   146.1	 -5327.0	   115.4
-  21670.0000	   190.4	   146.1	 -5278.4	   115.4
-  21675.0000	   203.1	   146.1	 -5265.7	   115.4
-  21680.0000	    77.2	   146.1	 -5391.6	   115.4
-  21685.0000	   154.7	   146.1	 -5314.2	   115.4
-  21690.0000	   134.3	   146.2	 -5334.6	   115.4
-  21695.0000	   118.3	   146.2	 -5350.6	   115.4
-  21700.0000	   159.1	   146.2	 -5309.8	   115.4
-  21705.0000	   130.8	   146.2	 -5338.1	   115.4
-  21710.0000	   151.3	   146.2	 -5317.6	   115.4
-  21715.0000	   135.2	   146.2	 -5333.7	   115.4
-  21720.0000	   131.3	   146.2	 -5337.6	   115.5
-  21725.0000	   135.4	   146.2	 -5333.5	   115.5
-  21730.0000	   123.1	   146.2	 -5345.8	   115.5
-  21735.0000	   139.8	   146.2	 -5329.1	   115.5
-  21740.0000	    94.8	   146.2	 -5374.1	   115.5
-  21745.0000	   148.4	   146.3	 -5320.6	   115.5
-  21750.0000	   164.9	   146.3	 -5304.1	   115.5
-  21755.0000	   169.6	   146.3	 -5299.4	   115.5
-  21760.0000	   120.2	   146.3	 -5348.8	   115.5
-  21765.0000	   124.3	   146.3	 -5344.7	   115.5
-  21770.0000	   149.2	   146.3	 -5319.8	   115.5
-  21775.0000	   149.9	   146.3	 -5319.1	   115.6
-  21780.0000	   133.2	   146.3	 -5335.8	   115.6
-  21785.0000	   112.4	   146.3	 -5356.6	   115.6
-  21790.0000	   141.6	   146.3	 -5327.4	   115.6
-  21795.0000	   108.8	   146.3	 -5360.2	   115.6
-  21800.0000	   175.7	   146.3	 -5293.4	   115.6
-  21805.0000	   154.8	   146.4	 -5314.3	   115.6
-  21810.0000	   133.8	   146.4	 -5335.3	   115.6
-  21815.0000	   163.9	   146.4	 -5305.2	   115.6
-  21820.0000	   168.1	   146.4	 -5301.0	   115.6
-  21825.0000	   142.9	   146.4	 -5326.2	   115.6
-  21830.0000	   118.0	   146.4	 -5351.1	   115.6
-  21835.0000	   152.0	   146.4	 -5317.1	   115.7
-  21840.0000	   101.3	   146.4	 -5367.8	   115.7
-  21845.0000	   152.0	   146.4	 -5317.1	   115.7
-  21850.0000	   152.7	   146.4	 -5316.4	   115.7
-  21855.0000	   156.9	   146.4	 -5312.3	   115.7
-  21860.0000	   144.2	   146.5	 -5325.0	   115.7
-  21865.0000	   152.7	   146.5	 -5316.5	   115.7
-  21870.0000	   153.2	   146.5	 -5316.0	   115.7
-  21875.0000	   144.7	   146.5	 -5324.5	   115.7
-  21880.0000	   161.7	   146.5	 -5307.5	   115.7
-  21885.0000	   178.8	   146.5	 -5290.4	   115.7
-  21890.0000	   188.2	   146.5	 -5281.0	   115.8
-  21895.0000	   111.2	   146.5	 -5358.0	   115.8
-  21900.0000	   119.8	   146.5	 -5349.4	   115.8
-  21905.0000	   124.3	   146.5	 -5344.9	   115.8
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-  21915.0000	   124.6	   146.6	 -5344.7	   115.8
-  21920.0000	   116.0	   146.6	 -5353.3	   115.8
-  21925.0000	   150.7	   146.6	 -5318.6	   115.8
-  21930.0000	   129.4	   146.6	 -5339.9	   115.8
-  21935.0000	   159.6	   146.6	 -5309.7	   115.8
-  21940.0000	   189.8	   146.6	 -5279.5	   115.8
-  21945.0000	   134.0	   146.6	 -5335.3	   115.9
-  21950.0000	   155.9	   146.6	 -5313.4	   115.9
-  21955.0000	   164.6	   146.6	 -5304.7	   115.9
-  21960.0000	   112.9	   146.6	 -5356.4	   115.9
-  21965.0000	   178.0	   146.6	 -5291.4	   115.9
-  21970.0000	   156.7	   146.7	 -5312.7	   115.9
-  21975.0000	   143.7	   146.7	 -5325.7	   115.9
-  21980.0000	   165.7	   146.7	 -5303.7	   115.9
-  21985.0000	   157.0	   146.7	 -5312.4	   115.9
-  21990.0000	   192.4	   146.7	 -5277.0	   115.9
-  21995.0000	   157.4	   146.7	 -5312.0	   115.9
-  22000.0000	   144.5	   146.7	 -5324.9	   116.0
-  22005.0000	   105.1	   146.7	 -5364.3	   116.0
-  22010.0000	   149.3	   146.7	 -5320.1	   116.0
-  22015.0000	   118.5	   146.7	 -5350.9	   116.0
-  22020.0000	   136.4	   146.8	 -5333.1	   116.0
-  22025.0000	   136.4	   146.8	 -5333.1	   116.0
-  22030.0000	   202.8	   146.8	 -5266.7	   116.0
-  22035.0000	   132.5	   146.8	 -5337.0	   116.0
-  22040.0000	   159.0	   146.8	 -5310.5	   116.0
-  22045.0000	   150.5	   146.8	 -5319.0	   116.0
-  22050.0000	   132.8	   146.8	 -5336.7	   116.1
-  22055.0000	   119.7	   146.8	 -5349.8	   116.1
-  22060.0000	    93.1	   146.8	 -5376.4	   116.1
-  22065.0000	   168.9	   146.8	 -5300.6	   116.1
-  22070.0000	   151.1	   146.8	 -5318.5	   116.1
-  22075.0000	   173.7	   146.9	 -5295.9	   116.1
-  22080.0000	   111.3	   146.9	 -5358.3	   116.1
-  22085.0000	   142.8	   146.9	 -5326.8	   116.1
-  22090.0000	   156.5	   146.9	 -5313.1	   116.1
-  22095.0000	   143.1	   146.9	 -5326.5	   116.1
-  22100.0000	   138.6	   146.9	 -5331.0	   116.2
-  22105.0000	   152.5	   146.9	 -5317.1	   116.2
-  22110.0000	   125.9	   146.9	 -5343.7	   116.2
-  22115.0000	   139.4	   146.9	 -5330.2	   116.2
-  22120.0000	   125.9	   146.9	 -5343.7	   116.2
-  22125.0000	   121.7	   147.0	 -5348.0	   116.2
-  22130.0000	   144.6	   147.0	 -5325.1	   116.2
-  22135.0000	   189.8	   147.0	 -5279.9	   116.2
-  22140.0000	    99.4	   147.0	 -5370.3	   116.2
-  22145.0000	   158.6	   147.0	 -5311.1	   116.2
-  22150.0000	   131.7	   147.0	 -5338.0	   116.3
-  22155.0000	   181.7	   147.0	 -5288.0	   116.3
-  22160.0000	   131.7	   147.0	 -5338.0	   116.3
-  22165.0000	   141.5	   147.0	 -5328.2	   116.3
-  22170.0000	   173.4	   147.0	 -5296.3	   116.3
-  22175.0000	   182.6	   147.1	 -5287.2	   116.3
-  22180.0000	   146.1	   147.1	 -5323.7	   116.3
-  22185.0000	   137.7	   147.1	 -5332.1	   116.3
-  22190.0000	   128.5	   147.1	 -5341.3	   116.3
-  22195.0000	   160.6	   147.1	 -5309.2	   116.3
-  22200.0000	   188.1	   147.1	 -5281.7	   116.4
-  22205.0000	   170.5	   147.1	 -5299.3	   116.4
-  22210.0000	   138.3	   147.1	 -5331.5	   116.4
-  22215.0000	   207.4	   147.1	 -5262.4	   116.4
-  22220.0000	   171.0	   147.1	 -5298.9	   116.4
-  22225.0000	   162.1	   147.2	 -5307.8	   116.4
-  22230.0000	   148.2	   147.2	 -5321.7	   116.4
-  22235.0000	   157.4	   147.2	 -5312.5	   116.4
-  22240.0000	   143.8	   147.2	 -5326.1	   116.4
-  22245.0000	    93.0	   147.2	 -5376.9	   116.4
-  22250.0000	   190.6	   147.2	 -5279.3	   116.5
-  22255.0000	   167.3	   147.2	 -5302.6	   116.5
-  22260.0000	   107.2	   147.2	 -5362.7	   116.5
-  22265.0000	   158.8	   147.2	 -5311.1	   116.5
-  22270.0000	   172.8	   147.3	 -5297.2	   116.5
-  22275.0000	   163.7	   147.3	 -5306.3	   116.5
-  22280.0000	   164.1	   147.3	 -5305.9	   116.5
-  22285.0000	   178.2	   147.3	 -5291.8	   116.5
-  22290.0000	   164.1	   147.3	 -5305.9	   116.5
-  22295.0000	   136.3	   147.3	 -5333.7	   116.6
-  22300.0000	   136.6	   147.3	 -5333.4	   116.6
-  22305.0000	   136.6	   147.3	 -5333.4	   116.6
-  22310.0000	   122.5	   147.3	 -5347.5	   116.6
-  22315.0000	   155.8	   147.4	 -5314.3	   116.6
-  22320.0000	   118.4	   147.4	 -5351.7	   116.6
-  22325.0000	   118.4	   147.4	 -5351.7	   116.6
-  22330.0000	   108.9	   147.4	 -5361.2	   116.6
-  22335.0000	   109.1	   147.4	 -5361.0	   116.6
-  22340.0000	   133.2	   147.4	 -5336.9	   116.7
-  22345.0000	   137.9	   147.4	 -5332.2	   116.7
-  22350.0000	   109.7	   147.4	 -5360.4	   116.7
-  22355.0000	   157.3	   147.4	 -5312.8	   116.7
-  22360.0000	   157.6	   147.4	 -5312.6	   116.7
-  22365.0000	   138.5	   147.5	 -5331.7	   116.7
-  22370.0000	   157.8	   147.5	 -5312.4	   116.7
-  22375.0000	   138.7	   147.5	 -5331.5	   116.7
-  22380.0000	   167.8	   147.5	 -5302.4	   116.7
-  22385.0000	   153.4	   147.5	 -5316.8	   116.8
-  22390.0000	   139.4	   147.5	 -5330.8	   116.8
-  22395.0000	   125.0	   147.5	 -5345.2	   116.8
-  22400.0000	   168.6	   147.5	 -5301.6	   116.8
-  22405.0000	   183.5	   147.6	 -5286.8	   116.8
-  22410.0000	   140.0	   147.6	 -5330.3	   116.8
-  22415.0000	   140.0	   147.6	 -5330.3	   116.8
-  22420.0000	   164.4	   147.6	 -5305.9	   116.8
-  22425.0000	   174.4	   147.6	 -5295.9	   116.8
-  22430.0000	   159.9	   147.6	 -5310.4	   116.9
-  22435.0000	   101.7	   147.6	 -5368.6	   116.9
-  22440.0000	   116.6	   147.6	 -5353.7	   116.9
-  22445.0000	   126.5	   147.6	 -5343.8	   116.9
-  22450.0000	   175.2	   147.7	 -5295.2	   116.9
-  22455.0000	   150.9	   147.7	 -5319.5	   116.9
-  22460.0000	   190.6	   147.7	 -5279.8	   116.9
-  22465.0000	   156.4	   147.7	 -5314.0	   116.9
-  22470.0000	   180.9	   147.7	 -5289.5	   116.9
-  22475.0000	   141.8	   147.7	 -5328.6	   117.0
-  22480.0000	   166.8	   147.7	 -5303.6	   117.0
-  22485.0000	   147.2	   147.7	 -5323.2	   117.0
-  22490.0000	   157.0	   147.8	 -5313.5	   117.0
-  22495.0000	   132.8	   147.8	 -5337.7	   117.0
-  22500.0000	   128.1	   147.8	 -5342.4	   117.0
-  22505.0000	   211.9	   147.8	 -5258.6	   117.0
-  22510.0000	   157.7	   147.8	 -5312.8	   117.0
-  22515.0000	   182.8	   147.8	 -5287.7	   117.1
-  22520.0000	   138.6	   147.8	 -5331.9	   117.1
-  22525.0000	   133.7	   147.8	 -5336.8	   117.1
-  22530.0000	   207.9	   147.8	 -5262.7	   117.1
-  22535.0000	   104.4	   147.9	 -5366.2	   117.1
-  22540.0000	   164.0	   147.9	 -5306.6	   117.1
-  22545.0000	   144.1	   147.9	 -5326.5	   117.1
-  22550.0000	   104.4	   147.9	 -5366.2	   117.1
-  22555.0000	   124.8	   147.9	 -5345.8	   117.2
-  22560.0000	   199.7	   147.9	 -5270.9	   117.2
-  22565.0000	    99.9	   147.9	 -5370.7	   117.2
-  22570.0000	   154.8	   147.9	 -5315.9	   117.2
-  22575.0000	   120.3	   148.0	 -5350.4	   117.2
-  22580.0000	   165.4	   148.0	 -5305.3	   117.2
-  22585.0000	   100.2	   148.0	 -5370.5	   117.2
-  22590.0000	   115.5	   148.0	 -5355.2	   117.2
-  22595.0000	   125.8	   148.0	 -5344.9	   117.3
-  22600.0000	   135.9	   148.0	 -5334.8	   117.3
-  22605.0000	   161.0	   148.0	 -5309.7	   117.3
-  22610.0000	   141.2	   148.0	 -5329.6	   117.3
-  22615.0000	   217.4	   148.1	 -5253.4	   117.3
-  22620.0000	   161.8	   148.1	 -5309.0	   117.3
-  22625.0000	   141.6	   148.1	 -5329.2	   117.3
-  22630.0000	   192.5	   148.1	 -5278.3	   117.3
-  22635.0000	   132.0	   148.1	 -5338.8	   117.4
-  22640.0000	   152.3	   148.1	 -5318.5	   117.4
-  22645.0000	   142.4	   148.1	 -5328.4	   117.4
-  22650.0000	   218.7	   148.2	 -5252.2	   117.4
-  22655.0000	   163.1	   148.2	 -5307.8	   117.4
-  22660.0000	   122.3	   148.2	 -5348.6	   117.4
-  22665.0000	   122.5	   148.2	 -5348.4	   117.4
-  22670.0000	   153.1	   148.2	 -5317.8	   117.5
-  22675.0000	   158.5	   148.2	 -5312.4	   117.5
-  22680.0000	   117.6	   148.2	 -5353.3	   117.5
-  22685.0000	   153.7	   148.2	 -5317.2	   117.5
-  22690.0000	   189.5	   148.3	 -5281.5	   117.5
-  22695.0000	   164.3	   148.3	 -5306.7	   117.5
-  22700.0000	   133.5	   148.3	 -5337.5	   117.5
-  22705.0000	   102.9	   148.3	 -5368.1	   117.5
-  22710.0000	   144.0	   148.3	 -5327.0	   117.6
-  22715.0000	   139.3	   148.3	 -5331.7	   117.6
-  22720.0000	   144.8	   148.3	 -5326.2	   117.6
-  22725.0000	   144.8	   148.4	 -5326.3	   117.6
-  22730.0000	   114.0	   148.4	 -5357.1	   117.6
-  22735.0000	   150.3	   148.4	 -5320.8	   117.6
-  22740.0000	   207.7	   148.4	 -5263.4	   117.6
-  22745.0000	   109.0	   148.4	 -5362.1	   117.7
-  22750.0000	   156.2	   148.4	 -5314.9	   117.7
-  22755.0000	   197.8	   148.4	 -5273.3	   117.7
-  22760.0000	   125.2	   148.4	 -5346.0	   117.7
-  22765.0000	   125.2	   148.5	 -5346.0	   117.7
-  22770.0000	   177.7	   148.5	 -5293.5	   117.7
-  22775.0000	   136.2	   148.5	 -5335.0	   117.7
-  22780.0000	   162.4	   148.5	 -5308.8	   117.8
-  22785.0000	   125.7	   148.5	 -5345.5	   117.8
-  22790.0000	   178.6	   148.5	 -5292.6	   117.8
-  22795.0000	   147.3	   148.5	 -5324.0	   117.8
-  22800.0000	   100.0	   148.6	 -5371.3	   117.8
-  22805.0000	   142.0	   148.6	 -5329.3	   117.8
-  22810.0000	   137.2	   148.6	 -5334.1	   117.8
-  22815.0000	   142.7	   148.6	 -5328.6	   117.9
-  22820.0000	   163.9	   148.6	 -5307.4	   117.9
-  22825.0000	   179.8	   148.6	 -5291.5	   117.9
-  22830.0000	   127.4	   148.6	 -5344.0	   117.9
-  22835.0000	   201.7	   148.7	 -5269.7	   117.9
-  22840.0000	   143.3	   148.7	 -5328.1	   117.9
-  22845.0000	   159.3	   148.7	 -5312.1	   117.9
-  22850.0000	   112.0	   148.7	 -5359.4	   118.0
-  22855.0000	   181.3	   148.7	 -5290.1	   118.0
-  22860.0000	   128.0	   148.7	 -5343.4	   118.0
-  22865.0000	   181.3	   148.8	 -5290.2	   118.0
-  22870.0000	   208.8	   148.8	 -5262.7	   118.0
-  22875.0000	   192.7	   148.8	 -5278.8	   118.0
-  22880.0000	   117.8	   148.8	 -5353.7	   118.0
-  22885.0000	   160.6	   148.8	 -5310.9	   118.1
-  22890.0000	   188.1	   148.8	 -5283.4	   118.1
-  22895.0000	   166.6	   148.8	 -5304.9	   118.1
-  22900.0000	   177.3	   148.9	 -5294.3	   118.1
-  22905.0000	   204.7	   148.9	 -5266.9	   118.1
-  22910.0000	   210.3	   148.9	 -5261.3	   118.1
-  22915.0000	   210.3	   148.9	 -5261.3	   118.1
-  22920.0000	   172.6	   148.9	 -5299.0	   118.2
-  22925.0000	   156.7	   148.9	 -5314.9	   118.2
-  22930.0000	   195.1	   148.9	 -5276.6	   118.2
-  22935.0000	   146.3	   149.0	 -5325.4	   118.2
-  22940.0000	   157.1	   149.0	 -5314.6	   118.2
-  22945.0000	   130.2	   149.0	 -5341.5	   118.2
-  22950.0000	   157.7	   149.0	 -5314.0	   118.3
-  22955.0000	   152.3	   149.0	 -5319.4	   118.3
-  22960.0000	   147.2	   149.0	 -5324.5	   118.3
-  22965.0000	   147.5	   149.1	 -5324.3	   118.3
-  22970.0000	   125.6	   149.1	 -5346.2	   118.3
-  22975.0000	   158.4	   149.1	 -5313.4	   118.3
-  22980.0000	   191.6	   149.1	 -5280.2	   118.4
-  22985.0000	   175.6	   149.1	 -5296.2	   118.4
-  22990.0000	   197.6	   149.1	 -5274.2	   118.4
-  22995.0000	   137.2	   149.2	 -5334.7	   118.4
-  23000.0000	   187.0	   149.2	 -5284.9	   118.4
-  23005.0000	   154.3	   149.2	 -5317.6	   118.4
-  23010.0000	   165.3	   149.2	 -5306.6	   118.4
-  23015.0000	   127.0	   149.2	 -5344.9	   118.5
-  23020.0000	   165.6	   149.2	 -5306.3	   118.5
-  23025.0000	   127.3	   149.3	 -5344.7	   118.5
-  23030.0000	   182.7	   149.3	 -5289.3	   118.5
-  23035.0000	   188.6	   149.3	 -5283.4	   118.5
-  23040.0000	   133.1	   149.3	 -5338.9	   118.5
-  23045.0000	   172.3	   149.3	 -5299.7	   118.6
-  23050.0000	   188.9	   149.3	 -5283.1	   118.6
-  23055.0000	   228.3	   149.3	 -5243.8	   118.6
-  23060.0000	   161.5	   149.4	 -5310.6	   118.6
-  23065.0000	   195.3	   149.4	 -5276.8	   118.6
-  23070.0000	   156.2	   149.4	 -5315.9	   118.6
-  23075.0000	   139.8	   149.4	 -5332.3	   118.7
-  23080.0000	   123.0	   149.4	 -5349.1	   118.7
-  23085.0000	   173.7	   149.4	 -5298.5	   118.7
-  23090.0000	   140.4	   149.5	 -5331.8	   118.7
-  23095.0000	   213.4	   149.5	 -5258.8	   118.7
-  23100.0000	   230.3	   149.5	 -5241.9	   118.7
-  23105.0000	   191.4	   149.5	 -5280.8	   118.8
-  23110.0000	   203.3	   149.5	 -5268.9	   118.8
-  23115.0000	   276.7	   149.6	 -5195.6	   118.8
-  23120.0000	   197.6	   149.6	 -5274.7	   118.8
-  23125.0000	   181.0	   149.6	 -5291.3	   118.8
-  23130.0000	   136.0	   149.6	 -5336.3	   118.8
-  23135.0000	   164.3	   149.6	 -5308.0	   118.9
-  23140.0000	   209.6	   149.6	 -5262.7	   118.9
-  23145.0000	   176.7	   149.7	 -5295.7	   118.9
-  23150.0000	   176.7	   149.7	 -5295.7	   118.9
-  23155.0000	   176.7	   149.7	 -5295.7	   118.9
-  23160.0000	   159.6	   149.7	 -5312.8	   119.0
-  23165.0000	   148.6	   149.7	 -5323.8	   119.0
-  23170.0000	   222.9	   149.7	 -5249.5	   119.0
-  23175.0000	   257.2	   149.8	 -5215.3	   119.0
-  23180.0000	   240.6	   149.8	 -5231.9	   119.0
-  23185.0000	   235.4	   149.8	 -5237.1	   119.0
-  23190.0000	   160.8	   149.8	 -5311.7	   119.1
-  23195.0000	   189.5	   149.8	 -5283.0	   119.1
-  23200.0000	   190.3	   149.9	 -5282.3	   119.1
-  23205.0000	   224.9	   149.9	 -5247.7	   119.1
-  23210.0000	   236.5	   149.9	 -5236.1	   119.1
-  23215.0000	   230.7	   149.9	 -5241.9	   119.2
-  23220.0000	   243.4	   149.9	 -5229.2	   119.2
-  23225.0000	   202.8	   150.0	 -5269.9	   119.2
-  23230.0000	   243.4	   150.0	 -5229.3	   119.2
-  23235.0000	   191.2	   150.0	 -5281.5	   119.2
-  23240.0000	   203.6	   150.1	 -5269.2	   119.2
-  23245.0000	   197.8	   150.1	 -5275.0	   119.3
-  23250.0000	   273.4	   150.2	 -5199.5	   119.3
-  23255.0000	   244.3	   150.3	 -5228.7	   119.3
-  23260.0000	   239.4	   150.4	 -5233.7	   119.3
-  23265.0000	   233.5	   150.6	 -5239.8	   119.3
-  23270.0000	   274.4	   150.8	 -5199.1	   119.4
-  23275.0000	   245.7	   151.1	 -5228.1	   119.4
-  23280.0000	   322.7	   151.6	 -5151.6	   119.4
-  23285.0000	   281.7	   152.3	 -5193.3	   119.4
-  23290.0000	   217.1	   153.3	 -5258.9	   119.4
-  23295.0000	   288.1	   154.7	 -5189.3	   119.4
-  23300.0000	   265.2	   156.7	 -5214.2	   119.5
-  23305.0000	   253.4	   159.7	 -5229.0	   119.5
-  23310.0000	   229.8	   164.0	 -5256.9	   119.5
-  23315.0000	   295.3	   170.3	 -5197.7	   119.5
-  23320.0000	   337.7	   179.4	 -5164.4	   119.5
-  23325.0000	   385.1	   192.7	 -5130.3	   119.6
-  23330.0000	   433.5	   212.1	 -5101.3	   119.6
-  23335.0000	   475.1	   240.2	 -5087.8	   119.6
-  23340.0000	   428.7	   281.1	 -5175.1	   119.6
-  23345.0000	   506.1	   340.6	 -5157.2	   119.6
-  23350.0000	   518.6	   427.2	 -5231.3	   119.7
-  23355.0000	   554.3	   553.1	 -5321.5	   119.7
-  23360.0000	   693.2	   735.8	 -5365.3	   119.7
-  23365.0000	  1099.5	  1000.1	 -5223.3	   119.7
-  23370.0000	  1298.2	  1380.4	 -5404.9	   119.7
-  23375.0000	  1914.4	  1922.3	 -5330.6	   119.8
-  23380.0000	  2626.8	  2682.5	 -5378.4	   119.8
-  23385.0000	  3597.7	  3725.4	 -5450.4	   119.8
-  23390.0000	  5123.2	  5112.9	 -5312.4	   119.8
-  23395.0000	  6780.9	  6886.3	 -5428.1	   119.8
-  23400.0000	  9222.1	  9043.1	 -5143.7	   119.9
-  23405.0000	 11511.4	 11511.7	 -5323.0	   119.9
-  23410.0000	 14362.2	 14137.6	 -5098.1	   119.9
-  23415.0000	 16558.9	 16689.7	 -5453.5	   119.9
-  23420.0000	 18043.4	 18894.2	 -6173.5	   119.9
-  23425.0000	 19443.9	 20490.2	 -6369.0	   120.0
-  23430.0000	 19903.3	 21290.8	 -6710.2	   120.0
-  23435.0000	 20651.0	 21228.1	 -5899.8	   120.0
-  23440.0000	 19561.2	 20364.3	 -6125.8	   120.0
-  23445.0000	 18244.9	 18867.4	 -5945.2	   120.0
-  23450.0000	 16462.2	 16961.9	 -5822.5	   120.1
-  23455.0000	 14997.5	 14875.1	 -5200.3	   120.1
-  23460.0000	 12862.1	 12795.3	 -5255.9	   120.1
-  23465.0000	 10932.5	 10852.8	 -5243.0	   120.1
-  23470.0000	  9398.5	  9118.7	 -5042.9	   120.1
-  23475.0000	  8149.1	  7618.0	 -4791.6	   120.2
-  23480.0000	  6405.8	  6345.2	 -5262.1	   120.2
-  23485.0000	  5605.8	  5279.1	 -4996.0	   120.2
-  23490.0000	  4567.7	  4392.2	 -5147.2	   120.2
-  23495.0000	  3745.2	  3657.1	 -5234.6	   120.3
-  23500.0000	  3230.5	  3048.8	 -5141.0	   120.3
-  23505.0000	  2678.8	  2545.9	 -5189.8	   120.3
-  23510.0000	  2090.3	  2130.3	 -5362.7	   120.3
-  23515.0000	  1894.3	  1786.8	 -5215.2	   120.3
-  23520.0000	  1390.0	  1502.9	 -5435.6	   120.4
-  23525.0000	  1316.2	  1268.3	 -5274.8	   120.4
-  23530.0000	  1174.7	  1074.4	 -5222.4	   120.4
-  23535.0000	   939.1	   914.1	 -5297.7	   120.4
-  23540.0000	   753.8	   781.7	 -5350.6	   120.4
-  23545.0000	   642.6	   672.3	 -5352.4	   120.5
-  23550.0000	   685.8	   581.9	 -5218.8	   120.5
-  23555.0000	   477.2	   507.2	 -5352.7	   120.5
-  23560.0000	   421.4	   445.4	 -5346.7	   120.5
-  23565.0000	   557.8	   394.4	 -5159.3	   120.6
-  23570.0000	   521.0	   352.2	 -5153.9	   120.6
-  23575.0000	   379.3	   317.4	 -5260.8	   120.6
-  23580.0000	   422.9	   288.6	 -5188.4	   120.6
-  23585.0000	   447.7	   264.8	 -5139.8	   120.6
-  23590.0000	   348.7	   245.1	 -5219.1	   120.7
-  23595.0000	   355.6	   228.9	 -5196.0	   120.7
-  23600.0000	   418.0	   215.5	 -5120.2	   120.7
-  23605.0000	   343.1	   204.4	 -5184.0	   120.7
-  23610.0000	   343.9	   195.2	 -5174.0	   120.8
-  23615.0000	   263.0	   187.7	 -5247.4	   120.8
-  23620.0000	   256.7	   181.4	 -5247.4	   120.8
-  23625.0000	   275.5	   176.2	 -5223.4	   120.8
-  23630.0000	   333.1	   172.0	 -5161.6	   120.8
-  23635.0000	   282.8	   168.5	 -5208.4	   120.9
-  23640.0000	   364.5	   165.6	 -5123.8	   120.9
-  23645.0000	   283.4	   163.2	 -5202.5	   120.9
-  23650.0000	   309.1	   161.2	 -5174.8	   120.9
-  23655.0000	   365.9	   159.6	 -5116.4	   121.0
-  23660.0000	   252.3	   158.2	 -5228.6	   121.0
-  23665.0000	   309.9	   157.1	 -5169.9	   121.0
-  23670.0000	   272.6	   156.2	 -5206.3	   121.0
-  23675.0000	   342.4	   155.5	 -5135.8	   121.1
-  23680.0000	   323.4	   154.9	 -5154.2	   121.1
-  23685.0000	   298.6	   154.4	 -5178.5	   121.1
-  23690.0000	   324.4	   153.9	 -5152.3	   121.1
-  23695.0000	   222.7	   153.6	 -5253.6	   121.1
-  23700.0000	   216.8	   153.3	 -5259.2	   121.2
-  23705.0000	   229.6	   153.1	 -5246.2	   121.2
-  23710.0000	   287.5	   152.9	 -5188.1	   121.2
-  23715.0000	   223.6	   152.8	 -5251.9	   121.2
-  23720.0000	   262.4	   152.7	 -5213.0	   121.3
-  23725.0000	   300.7	   152.6	 -5174.6	   121.3
-  23730.0000	   327.1	   152.5	 -5148.1	   121.3
-  23735.0000	   263.0	   152.5	 -5212.2	   121.3
-  23740.0000	   289.4	   152.4	 -5185.7	   121.4
-  23745.0000	   283.0	   152.4	 -5192.1	   121.4
-  23750.0000	   245.0	   152.4	 -5230.1	   121.4
-  23755.0000	   219.2	   152.4	 -5255.9	   121.4
-  23760.0000	   297.2	   152.4	 -5177.9	   121.5
-  23765.0000	   213.2	   152.4	 -5261.9	   121.5
-  23770.0000	   233.0	   152.4	 -5242.1	   121.5
-  23775.0000	   207.4	   152.4	 -5267.7	   121.5
-  23780.0000	   213.8	   152.4	 -5261.3	   121.6
-  23785.0000	   233.3	   152.4	 -5241.8	   121.6
-  23790.0000	   305.3	   152.4	 -5169.8	   121.6
-  23795.0000	   214.6	   152.4	 -5260.5	   121.6
-  23800.0000	   201.6	   152.4	 -5273.5	   121.7
-  23805.0000	   227.6	   152.5	 -5247.6	   121.7
-  23810.0000	   228.2	   152.5	 -5247.0	   121.7
-  23815.0000	   235.3	   152.5	 -5239.9	   121.7
-  23820.0000	   183.0	   152.5	 -5292.2	   121.8
-  23825.0000	   130.7	   152.5	 -5344.6	   121.8
-  23830.0000	   229.6	   152.6	 -5245.7	   121.8
-  23835.0000	   262.4	   152.6	 -5212.9	   121.8
-  23840.0000	   157.5	   152.6	 -5317.8	   121.9
-  23845.0000	   223.1	   152.6	 -5252.2	   121.9
-  23850.0000	   164.7	   152.7	 -5310.7	   121.9
-  23855.0000	   250.3	   152.7	 -5225.1	   121.9
-  23860.0000	   197.6	   152.7	 -5277.8	   122.0
-  23865.0000	   270.4	   152.7	 -5205.0	   122.0
-  23870.0000	   132.2	   152.8	 -5343.3	   122.0
-  23875.0000	   211.5	   152.8	 -5264.0	   122.0
-  23880.0000	   237.9	   152.8	 -5237.6	   122.1
-  23885.0000	   265.5	   152.8	 -5210.0	   122.1
-  23890.0000	   225.7	   152.9	 -5249.9	   122.1
-  23895.0000	   212.4	   152.9	 -5263.2	   122.1
-  23900.0000	   199.1	   152.9	 -5276.5	   122.2
-  23905.0000	   286.6	   152.9	 -5189.0	   122.2
-  23910.0000	   153.3	   153.0	 -5322.4	   122.2
-  23915.0000	   193.3	   153.0	 -5282.4	   122.2
-  23920.0000	   133.3	   153.0	 -5342.4	   122.3
-  23925.0000	   241.0	   153.0	 -5234.8	   122.3
-  23930.0000	   227.6	   153.1	 -5248.2	   122.3
-  23935.0000	   140.6	   153.1	 -5335.2	   122.3
-  23940.0000	   227.6	   153.1	 -5248.2	   122.4
-  23945.0000	   181.6	   153.2	 -5294.3	   122.4
-  23950.0000	   195.0	   153.2	 -5280.9	   122.4
-  23955.0000	   221.9	   153.2	 -5254.0	   122.5
-  23960.0000	   175.2	   153.2	 -5300.7	   122.5
-  23965.0000	   141.8	   153.3	 -5334.2	   122.5
-  23970.0000	   216.1	   153.3	 -5259.9	   122.5
-  23975.0000	   148.6	   153.3	 -5327.4	   122.6
-  23980.0000	   196.2	   153.3	 -5279.8	   122.6
-  23985.0000	   230.7	   153.4	 -5245.4	   122.6
-  23990.0000	   251.1	   153.4	 -5225.0	   122.6
-  23995.0000	   176.4	   153.4	 -5299.7	   122.7
-  24000.0000	   163.3	   153.5	 -5312.9	   122.7
-  24005.0000	   170.5	   153.5	 -5305.7	   122.7
-  24010.0000	   143.2	   153.5	 -5333.0	   122.8
-  24015.0000	   177.5	   153.5	 -5298.7	   122.8
-  24020.0000	   198.0	   153.6	 -5278.3	   122.8
-  24025.0000	   260.0	   153.6	 -5216.3	   122.8
-  24030.0000	   150.5	   153.6	 -5325.8	   122.9
-  24035.0000	   137.1	   153.6	 -5339.2	   122.9
-  24040.0000	   198.8	   153.7	 -5277.6	   122.9
-  24045.0000	   199.0	   153.7	 -5277.4	   122.9
-  24050.0000	   212.8	   153.7	 -5263.6	   123.0
-  24055.0000	   171.9	   153.8	 -5304.6	   123.0
-  24060.0000	   199.4	   153.8	 -5277.1	   123.0
-  24065.0000	   172.3	   153.8	 -5304.2	   123.1
-  24070.0000	   179.6	   153.8	 -5296.9	   123.1
-  24075.0000	   179.6	   153.9	 -5297.0	   123.1
-  24080.0000	   179.9	   153.9	 -5296.7	   123.1
-  24085.0000	   159.1	   153.9	 -5317.5	   123.2
-  24090.0000	   208.0	   154.0	 -5268.7	   123.2
-  24095.0000	   180.3	   154.0	 -5296.4	   123.2
-  24100.0000	   201.5	   154.0	 -5275.2	   123.3
-  24105.0000	   166.8	   154.0	 -5309.9	   123.3
-  24110.0000	   181.0	   154.1	 -5295.8	   123.3
-  24115.0000	   194.9	   154.1	 -5281.9	   123.3
-  24120.0000	   223.3	   154.1	 -5253.5	   123.4
-  24125.0000	   146.5	   154.2	 -5330.4	   123.4
-  24130.0000	   237.5	   154.2	 -5239.4	   123.4
-  24135.0000	   195.6	   154.2	 -5281.3	   123.5
-  24140.0000	   154.0	   154.2	 -5322.9	   123.5
-  24145.0000	   182.3	   154.3	 -5294.7	   123.5
-  24150.0000	   182.3	   154.3	 -5294.7	   123.5
-  24155.0000	   203.3	   154.3	 -5273.7	   123.6
-  24160.0000	   239.0	   154.4	 -5238.1	   123.6
-  24165.0000	   133.9	   154.4	 -5343.2	   123.6
-  24170.0000	   204.3	   154.4	 -5272.8	   123.7
-  24175.0000	   169.1	   154.4	 -5308.0	   123.7
-  24180.0000	   197.5	   154.5	 -5279.7	   123.7
-  24185.0000	   212.0	   154.5	 -5265.2	   123.8
-  24190.0000	   219.1	   154.5	 -5258.1	   123.8
-  24195.0000	   190.8	   154.6	 -5286.5	   123.8
-  24200.0000	   156.1	   154.6	 -5321.2	   123.8
-  24205.0000	   177.4	   154.6	 -5299.9	   123.9
-  24210.0000	   149.0	   154.7	 -5328.4	   123.9
-  24215.0000	   184.5	   154.7	 -5292.9	   123.9
-  24220.0000	   163.9	   154.7	 -5313.5	   124.0
-  24225.0000	   185.3	   154.7	 -5292.1	   124.0
-  24230.0000	   199.6	   154.8	 -5277.9	   124.0
-  24235.0000	   171.1	   154.8	 -5306.4	   124.0
-  24240.0000	   128.6	   154.8	 -5348.9	   124.1
-  24245.0000	   185.8	   154.9	 -5291.8	   124.1
-  24250.0000	   185.8	   154.9	 -5291.8	   124.1
-  24255.0000	   128.9	   154.9	 -5348.7	   124.2
-  24260.0000	   172.1	   155.0	 -5305.6	   124.2
-  24265.0000	   172.1	   155.0	 -5305.6	   124.2
-  24270.0000	   186.5	   155.0	 -5291.2	   124.3
-  24275.0000	   136.5	   155.0	 -5341.3	   124.3
-  24280.0000	   223.3	   155.1	 -5254.5	   124.3
-  24285.0000	   158.5	   155.1	 -5319.3	   124.4
-  24290.0000	   151.3	   155.1	 -5326.5	   124.4
-  24295.0000	   144.4	   155.2	 -5333.5	   124.4
-  24300.0000	   231.5	   155.2	 -5246.4	   124.4
-  24305.0000	   144.7	   155.2	 -5333.2	   124.5
-  24310.0000	   144.7	   155.3	 -5333.3	   124.5
-  24315.0000	   152.5	   155.3	 -5325.5	   124.5
-  24320.0000	   145.2	   155.3	 -5332.8	   124.6
-  24325.0000	   108.9	   155.4	 -5369.2	   124.6
-  24330.0000	   145.4	   155.4	 -5332.7	   124.6
-  24335.0000	   225.9	   155.4	 -5252.2	   124.7
-  24340.0000	   145.7	   155.5	 -5332.5	   124.7
-  24345.0000	   182.1	   155.5	 -5296.1	   124.7
-  24350.0000	   145.9	   155.5	 -5332.3	   124.8
-  24355.0000	   175.4	   155.5	 -5302.9	   124.8
-  24360.0000	   197.3	   155.6	 -5281.0	   124.8
-  24365.0000	   168.1	   155.6	 -5310.2	   124.9
-  24370.0000	   197.7	   155.6	 -5280.6	   124.9
-  24375.0000	   212.7	   155.7	 -5265.7	   124.9
-  24380.0000	   183.4	   155.7	 -5295.0	   125.0
-  24385.0000	   146.9	   155.7	 -5331.5	   125.0
-  24390.0000	   176.3	   155.8	 -5302.2	   125.0
-  24395.0000	   103.1	   155.8	 -5375.4	   125.1
-  24400.0000	   184.1	   155.8	 -5294.4	   125.1
-  24405.0000	   155.0	   155.9	 -5323.6	   125.1
-  24410.0000	   191.9	   155.9	 -5286.7	   125.1
-  24415.0000	   162.7	   155.9	 -5315.9	   125.2
-  24420.0000	   207.0	   156.0	 -5271.7	   125.2
-  24425.0000	   200.0	   156.0	 -5278.7	   125.2
-  24430.0000	   118.5	   156.0	 -5360.2	   125.3
-  24435.0000	   178.1	   156.1	 -5300.7	   125.3
-  24440.0000	   148.6	   156.1	 -5330.2	   125.3
-  24445.0000	    96.6	   156.1	 -5382.2	   125.4
-  24450.0000	   156.1	   156.2	 -5322.8	   125.4
-  24455.0000	   186.0	   156.2	 -5292.9	   125.4
-  24460.0000	   156.4	   156.2	 -5322.5	   125.5
-  24465.0000	   178.8	   156.3	 -5300.2	   125.5
-  24470.0000	   156.4	   156.3	 -5322.6	   125.5
-  24475.0000	   186.7	   156.3	 -5292.3	   125.6
-  24480.0000	   179.6	   156.4	 -5299.5	   125.6
-  24485.0000	   149.7	   156.4	 -5329.4	   125.6
-  24490.0000	   224.5	   156.4	 -5254.6	   125.7
-  24495.0000	   179.9	   156.5	 -5299.3	   125.7
-  24500.0000	   225.3	   156.5	 -5253.9	   125.7
-  24505.0000	   217.7	   156.5	 -5261.5	   125.8
-  24510.0000	   180.2	   156.6	 -5299.1	   125.8
-  24515.0000	   203.4	   156.6	 -5275.9	   125.8
-  24520.0000	   158.2	   156.6	 -5321.1	   125.9
-  24525.0000	   203.4	   156.7	 -5276.0	   125.9
-  24530.0000	   218.8	   156.7	 -5260.6	   125.9
-  24535.0000	   158.7	   156.7	 -5320.7	   126.0
-  24540.0000	   158.7	   156.8	 -5320.8	   126.0
-  24545.0000	   128.5	   156.8	 -5351.0	   126.0
-  24550.0000	   151.4	   156.8	 -5328.1	   126.1
-  24555.0000	   182.0	   156.9	 -5297.6	   126.1
-  24560.0000	   121.3	   156.9	 -5358.3	   126.2
-  24565.0000	   159.2	   156.9	 -5320.4	   126.2
-  24570.0000	   137.0	   157.0	 -5342.7	   126.2
-  24575.0000	   159.9	   157.0	 -5319.8	   126.3
-  24580.0000	   159.9	   157.0	 -5319.8	   126.3
-  24585.0000	   175.1	   157.1	 -5304.7	   126.3
-  24590.0000	   198.7	   157.1	 -5281.1	   126.4
-  24595.0000	   198.7	   157.1	 -5281.2	   126.4
-  24600.0000	   198.7	   157.2	 -5281.2	   126.4
-  24605.0000	   168.1	   157.2	 -5311.8	   126.5
-  24610.0000	   207.6	   157.3	 -5272.4	   126.5
-  24615.0000	   123.0	   157.3	 -5357.0	   126.5
-  24620.0000	   192.2	   157.3	 -5287.8	   126.6
-  24625.0000	   207.8	   157.4	 -5272.3	   126.6
-  24630.0000	   169.6	   157.4	 -5310.5	   126.6
-  24635.0000	    84.8	   157.4	 -5395.3	   126.7
-  24640.0000	   239.0	   157.5	 -5241.2	   126.7
-  24645.0000	   146.7	   157.5	 -5333.5	   126.7
-  24650.0000	   201.1	   157.5	 -5279.1	   126.8
-  24655.0000	   108.3	   157.6	 -5372.0	   126.8
-  24660.0000	   131.5	   157.6	 -5348.8	   126.9
-  24665.0000	   186.1	   157.6	 -5294.2	   126.9
-  24670.0000	   155.3	   157.7	 -5325.1	   126.9
-  24675.0000	   194.1	   157.7	 -5286.3	   127.0
-  24680.0000	   163.1	   157.7	 -5317.4	   127.0
-  24685.0000	   140.0	   157.8	 -5340.5	   127.0
-  24690.0000	   148.0	   157.8	 -5332.5	   127.1
-  24695.0000	   124.6	   157.9	 -5356.0	   127.1
-  24700.0000	   156.1	   157.9	 -5324.5	   127.1
-  24705.0000	   163.9	   157.9	 -5316.7	   127.2
-  24710.0000	   203.5	   158.0	 -5277.2	   127.2
-  24715.0000	   211.4	   158.0	 -5269.3	   127.2
-  24720.0000	   180.3	   158.0	 -5300.4	   127.3
-  24725.0000	   227.4	   158.1	 -5253.4	   127.3
-  24730.0000	   173.0	   158.1	 -5307.8	   127.4
-  24735.0000	   149.4	   158.1	 -5331.5	   127.4
-  24740.0000	    94.5	   158.2	 -5386.4	   127.4
-  24745.0000	   204.8	   158.2	 -5276.1	   127.5
-  24750.0000	   189.6	   158.3	 -5291.4	   127.5
-  24755.0000	   158.3	   158.3	 -5322.7	   127.5
-  24760.0000	   237.5	   158.3	 -5243.5	   127.6
-  24765.0000	   182.5	   158.4	 -5298.6	   127.6
-  24770.0000	   166.6	   158.4	 -5314.5	   127.7
-  24775.0000	   206.7	   158.4	 -5274.4	   127.7
-  24780.0000	   159.0	   158.5	 -5322.2	   127.7
-  24785.0000	   167.3	   158.5	 -5313.9	   127.8
-  24790.0000	   191.2	   158.6	 -5290.1	   127.8
-  24795.0000	   223.6	   158.6	 -5257.7	   127.8
-  24800.0000	   175.7	   158.6	 -5305.6	   127.9
-  24805.0000	   120.1	   158.7	 -5361.3	   127.9
-  24810.0000	   192.5	   158.7	 -5288.9	   128.0
-  24815.0000	   120.3	   158.7	 -5361.1	   128.0
-  24820.0000	   192.5	   158.8	 -5289.0	   128.0
-  24825.0000	   192.8	   158.8	 -5288.7	   128.1
-  24830.0000	   209.3	   158.9	 -5272.3	   128.1
-  24835.0000	   225.4	   158.9	 -5256.2	   128.1
-  24840.0000	   128.8	   158.9	 -5352.8	   128.2
-  24845.0000	   121.0	   159.0	 -5360.7	   128.2
-  24850.0000	   274.7	   159.0	 -5207.0	   128.3
-  24855.0000	   145.4	   159.0	 -5336.3	   128.3
-  24860.0000	   202.0	   159.1	 -5279.8	   128.3
-  24865.0000	   121.5	   159.1	 -5360.3	   128.4
-  24870.0000	   186.6	   159.2	 -5295.3	   128.4
-  24875.0000	   146.1	   159.2	 -5335.8	   128.4
-  24880.0000	   129.8	   159.2	 -5352.1	   128.5
-  24885.0000	   179.3	   159.3	 -5302.7	   128.5
-  24890.0000	   187.5	   159.3	 -5294.5	   128.6
-  24895.0000	   163.0	   159.3	 -5319.1	   128.6
-  24900.0000	   163.0	   159.4	 -5319.1	   128.6
-  24905.0000	   171.8	   159.4	 -5310.3	   128.7
-  24910.0000	   122.7	   159.5	 -5359.5	   128.7
-  24915.0000	   147.2	   159.5	 -5335.0	   128.8
-  24920.0000	   196.3	   159.5	 -5285.9	   128.8
-  24925.0000	   189.1	   159.6	 -5293.2	   128.8
-  24930.0000	   172.6	   159.6	 -5309.7	   128.9
-  24935.0000	   197.3	   159.7	 -5285.1	   128.9
-  24940.0000	   148.3	   159.7	 -5334.1	   128.9
-  24945.0000	   173.6	   159.7	 -5308.8	   129.0
-  24950.0000	   165.3	   159.8	 -5317.2	   129.0
-  24955.0000	   198.4	   159.8	 -5284.1	   129.1
-  24960.0000	   157.4	   159.9	 -5325.2	   129.1
-  24965.0000	   166.1	   159.9	 -5316.5	   129.1
-  24970.0000	   124.6	   159.9	 -5358.0	   129.2
-  24975.0000	   182.7	   160.0	 -5300.0	   129.2
-  24980.0000	   149.8	   160.0	 -5332.9	   129.3
-  24985.0000	   150.0	   160.1	 -5332.8	   129.3
-  24990.0000	   150.0	   160.1	 -5332.8	   129.3
-  24995.0000	   158.7	   160.1	 -5324.1	   129.4
-  25000.0000	   217.7	   160.2	 -5265.2	   129.4
-  25005.0000	   150.7	   160.2	 -5332.2	   129.5
-  25010.0000	   125.6	   160.3	 -5357.4	   129.5
-  25015.0000	   192.7	   160.3	 -5290.3	   129.5
-  25020.0000	   193.1	   160.3	 -5289.9	   129.6
-  25025.0000	   201.5	   160.4	 -5281.6	   129.6
-  25030.0000	   226.6	   160.4	 -5256.5	   129.7
-  25035.0000	   117.8	   160.5	 -5365.4	   129.7
-  25040.0000	   244.3	   160.5	 -5238.9	   129.7
-  25045.0000	   101.1	   160.5	 -5382.1	   129.8
-  25050.0000	   151.6	   160.6	 -5331.7	   129.8
-  25055.0000	   219.3	   160.6	 -5264.0	   129.9
-  25060.0000	   185.9	   160.7	 -5297.5	   129.9
-  25065.0000	   177.4	   160.7	 -5306.0	   129.9
-  25070.0000	   135.4	   160.7	 -5348.0	   130.0
-  25075.0000	   245.4	   160.8	 -5238.1	   130.0
-  25080.0000	   152.6	   160.8	 -5330.9	   130.1
-  25085.0000	   203.4	   160.9	 -5280.2	   130.1
-  25090.0000	   144.4	   160.9	 -5339.2	   130.1
-  25095.0000	   127.4	   160.9	 -5356.2	   130.2
-  25100.0000	   144.7	   161.0	 -5339.0	   130.2
-  25105.0000	   187.3	   161.0	 -5296.4	   130.3
-  25110.0000	   187.5	   161.1	 -5296.3	   130.3
-  25115.0000	   179.0	   161.1	 -5304.8	   130.3
-  25120.0000	   153.6	   161.1	 -5330.2	   130.4
-  25125.0000	   188.1	   161.2	 -5295.8	   130.4
-  25130.0000	   196.7	   161.2	 -5287.2	   130.5
-  25135.0000	   136.8	   161.3	 -5347.2	   130.5
-  25140.0000	   171.3	   161.3	 -5312.7	   130.6
-  25145.0000	   223.0	   161.3	 -5261.1	   130.6
-  25150.0000	   171.5	   161.4	 -5312.6	   130.6
-  25155.0000	   240.2	   161.4	 -5243.9	   130.7
-  25160.0000	   197.8	   161.5	 -5286.4	   130.7
-  25165.0000	   207.0	   161.5	 -5277.2	   130.8
-  25170.0000	   129.4	   161.6	 -5354.9	   130.8
-  25175.0000	   155.2	   161.6	 -5329.1	   130.8
-  25180.0000	   207.6	   161.6	 -5276.7	   130.9
-  25185.0000	   164.5	   161.7	 -5319.9	   130.9
-  25190.0000	   147.2	   161.7	 -5337.2	   131.0
-  25195.0000	   181.8	   161.8	 -5302.7	   131.0
-  25200.0000	   164.8	   161.8	 -5319.7	   131.1
-  25205.0000	   173.4	   161.8	 -5311.2	   131.1
-  25210.0000	   182.1	   161.9	 -5302.5	   131.1
-  25215.0000	   173.8	   161.9	 -5310.8	   131.2
-  25220.0000	   165.4	   162.0	 -5319.3	   131.2
-  25225.0000	   156.7	   162.0	 -5328.0	   131.3
-  25230.0000	   182.9	   162.1	 -5301.9	   131.3
-  25235.0000	   165.8	   162.1	 -5319.0	   131.3
-  25240.0000	   236.0	   162.1	 -5248.8	   131.4
-  25245.0000	   183.6	   162.2	 -5301.3	   131.4
-  25250.0000	   131.1	   162.2	 -5353.8	   131.5
-  25255.0000	   131.7	   162.3	 -5353.3	   131.5
-  25260.0000	   114.1	   162.3	 -5370.9	   131.6
-  25265.0000	   175.6	   162.4	 -5309.5	   131.6
-  25270.0000	   140.5	   162.4	 -5344.6	   131.6
-  25275.0000	   220.2	   162.4	 -5264.9	   131.7
-  25280.0000	   202.6	   162.5	 -5282.6	   131.7
-  25285.0000	   211.4	   162.5	 -5273.8	   131.8
-  25290.0000	   158.5	   162.6	 -5326.8	   131.8
-  25295.0000	   203.3	   162.6	 -5282.0	   131.9
-  25300.0000	   194.4	   162.7	 -5291.0	   131.9
-  25305.0000	   247.5	   162.7	 -5237.9	   131.9
-  25310.0000	   141.4	   162.7	 -5344.0	   132.0
-  25315.0000	   230.2	   162.8	 -5255.3	   132.0
-  25320.0000	   203.6	   162.8	 -5281.9	   132.1
-  25325.0000	   194.8	   162.9	 -5290.8	   132.1
-  25330.0000	   177.3	   162.9	 -5308.3	   132.2
-  25335.0000	   177.5	   163.0	 -5308.2	   132.2
-  25340.0000	   213.0	   163.0	 -5272.7	   132.2
-  25345.0000	   168.6	   163.0	 -5317.1	   132.3
-  25350.0000	   142.3	   163.1	 -5343.5	   132.3
-  25355.0000	   213.9	   163.1	 -5271.9	   132.4
-  25360.0000	   187.2	   163.2	 -5298.7	   132.4
-  25365.0000	   196.1	   163.2	 -5289.8	   132.5
-  25370.0000	    89.3	   163.3	 -5396.7	   132.5
-  25375.0000	   187.8	   163.3	 -5298.2	   132.6
-  25380.0000	   169.9	   163.4	 -5316.2	   132.6
-  25385.0000	   134.4	   163.4	 -5351.7	   132.6
-  25390.0000	   215.1	   163.4	 -5271.0	   132.7
-  25395.0000	    71.7	   163.5	 -5414.5	   132.7
-  25400.0000	   116.6	   163.5	 -5369.6	   132.8
-  25405.0000	   215.9	   163.6	 -5270.4	   132.8
-  25410.0000	   134.9	   163.6	 -5351.4	   132.9
-  25415.0000	   189.4	   163.7	 -5297.0	   132.9
-  25420.0000	   261.6	   163.7	 -5224.8	   132.9
-  25425.0000	   207.9	   163.7	 -5278.6	   133.0
-  25430.0000	   235.0	   163.8	 -5251.5	   133.0
-  25435.0000	   190.2	   163.8	 -5296.3	   133.1
-  25440.0000	   181.5	   163.9	 -5305.1	   133.1
-  25445.0000	   190.5	   163.9	 -5296.1	   133.2
-  25450.0000	   109.1	   164.0	 -5377.6	   133.2
-  25455.0000	   218.2	   164.0	 -5268.5	   133.3
-  25460.0000	   145.7	   164.1	 -5341.1	   133.3
-  25465.0000	   182.1	   164.1	 -5304.7	   133.3
-  25470.0000	   164.2	   164.1	 -5322.7	   133.4
-  25475.0000	   191.6	   164.2	 -5295.3	   133.4
-  25480.0000	   146.3	   164.2	 -5340.6	   133.5
-  25485.0000	   201.1	   164.3	 -5285.9	   133.5
-  25490.0000	   210.6	   164.3	 -5276.4	   133.6
-  25495.0000	   247.9	   164.4	 -5239.2	   133.6
-  25500.0000	   119.3	   164.4	 -5367.8	   133.7
-  25505.0000	   165.2	   164.5	 -5322.0	   133.7
-  25510.0000	   119.6	   164.5	 -5367.6	   133.8
-  25515.0000	   175.0	   164.6	 -5312.3	   133.8
-  25520.0000	   211.8	   164.6	 -5275.5	   133.8
-  25525.0000	   147.4	   164.6	 -5339.9	   133.9
-  25530.0000	    73.9	   164.7	 -5413.5	   133.9
-  25535.0000	   194.1	   164.7	 -5293.3	   134.0
-  25540.0000	   268.1	   164.8	 -5219.4	   134.0
-  25545.0000	    83.2	   164.8	 -5404.3	   134.1
-  25550.0000	   157.5	   164.9	 -5330.1	   134.1
-  25555.0000	   167.2	   164.9	 -5320.4	   134.2
-  25560.0000	   185.8	   165.0	 -5301.9	   134.2
-  25565.0000	   213.6	   165.0	 -5274.1	   134.3
-  25570.0000	   167.6	   165.1	 -5320.2	   134.3
-  25575.0000	   149.0	   165.1	 -5338.8	   134.3
-  25580.0000	   149.0	   165.1	 -5338.8	   134.4
-  25585.0000	   195.5	   165.2	 -5292.4	   134.4
-  25590.0000	   177.7	   165.2	 -5310.2	   134.5
-  25595.0000	   205.8	   165.3	 -5282.2	   134.5
-  25600.0000	   102.9	   165.3	 -5385.1	   134.6
-  25605.0000	   205.8	   165.4	 -5282.3	   134.6
-  25610.0000	   168.9	   165.4	 -5319.2	   134.7
-  25615.0000	   187.6	   165.5	 -5300.6	   134.7
-  25620.0000	   122.0	   165.5	 -5366.2	   134.8
-  25625.0000	   131.7	   165.6	 -5356.6	   134.8
-  25630.0000	   169.5	   165.6	 -5318.8	   134.8
-  25635.0000	   207.2	   165.6	 -5281.2	   134.9
-  25640.0000	   150.7	   165.7	 -5337.7	   134.9
-  25645.0000	   207.6	   165.7	 -5280.8	   135.0
-  25650.0000	   208.3	   165.8	 -5280.2	   135.0
-  25655.0000	   189.4	   165.8	 -5299.1	   135.1
-  25660.0000	   198.9	   165.9	 -5289.7	   135.1
-  25665.0000	   209.1	   165.9	 -5279.5	   135.2
-  25670.0000	    85.6	   166.0	 -5403.1	   135.2
-  25675.0000	   123.6	   166.0	 -5365.1	   135.3
-  25680.0000	   190.3	   166.1	 -5298.5	   135.3
-  25685.0000	   143.0	   166.1	 -5345.8	   135.4
-  25690.0000	   152.5	   166.2	 -5336.4	   135.4
-  25695.0000	   181.1	   166.2	 -5307.8	   135.4
-  25700.0000	   124.1	   166.2	 -5364.9	   135.5
-  25705.0000	   191.2	   166.3	 -5297.8	   135.5
-  25710.0000	   143.4	   166.3	 -5345.6	   135.6
-  25715.0000	   153.0	   166.4	 -5336.1	   135.6
-  25720.0000	   153.1	   166.4	 -5336.0	   135.7
-  25725.0000	   163.0	   166.5	 -5326.2	   135.7
-  25730.0000	   191.7	   166.5	 -5297.5	   135.8
-  25735.0000	   268.4	   166.6	 -5220.9	   135.8
-  25740.0000	   115.2	   166.6	 -5374.1	   135.9
-  25745.0000	   134.7	   166.7	 -5354.7	   135.9
-  25750.0000	   250.2	   166.7	 -5239.2	   136.0
-  25755.0000	   202.6	   166.8	 -5286.9	   136.0
-  25760.0000	   183.3	   166.8	 -5306.2	   136.1
-  25765.0000	   203.1	   166.9	 -5286.5	   136.1
-  25770.0000	   174.1	   166.9	 -5315.5	   136.2
-  25775.0000	   193.9	   167.0	 -5295.8	   136.2
-  25780.0000	   164.8	   167.0	 -5324.9	   136.2
-  25785.0000	   233.2	   167.0	 -5256.6	   136.3
-  25790.0000	   233.2	   167.1	 -5256.6	   136.3
-  25795.0000	   194.7	   167.1	 -5295.1	   136.4
-  25800.0000	   146.0	   167.2	 -5343.9	   136.4
-  25805.0000	   156.2	   167.2	 -5333.7	   136.5
-  25810.0000	   127.1	   167.3	 -5362.9	   136.5
-  25815.0000	   136.8	   167.3	 -5353.2	   136.6
-  25820.0000	   234.6	   167.4	 -5255.5	   136.6
-  25825.0000	   166.4	   167.4	 -5323.7	   136.7
-  25830.0000	   215.9	   167.5	 -5274.3	   136.7
-  25835.0000	   186.5	   167.5	 -5303.7	   136.8
-  25840.0000	   127.6	   167.6	 -5362.7	   136.8
-  25845.0000	   196.6	   167.6	 -5293.7	   136.9
-  25850.0000	   285.5	   167.7	 -5204.9	   136.9
-  25855.0000	   206.8	   167.7	 -5283.6	   137.0
-  25860.0000	   187.1	   167.8	 -5303.4	   137.0
-  25865.0000	   207.6	   167.8	 -5282.9	   137.1
-  25870.0000	   187.8	   167.9	 -5302.8	   137.1
-  25875.0000	   257.0	   167.9	 -5233.6	   137.2
-  25880.0000	   118.6	   168.0	 -5372.1	   137.2
-  25885.0000	   149.0	   168.0	 -5341.7	   137.2
-  25890.0000	   218.5	   168.1	 -5272.3	   137.3
-  25895.0000	   268.1	   168.1	 -5222.7	   137.3
-  25900.0000	   228.8	   168.1	 -5262.1	   137.4
-  25905.0000	   119.5	   168.2	 -5371.4	   137.4
-  25910.0000	   179.3	   168.2	 -5311.6	   137.5
-  25915.0000	   199.2	   168.3	 -5291.8	   137.5
-  25920.0000	   229.5	   168.3	 -5261.5	   137.6
-  25925.0000	   290.1	   168.4	 -5201.0	   137.6
-  25930.0000	   160.1	   168.4	 -5331.0	   137.7
-  25935.0000	   210.1	   168.5	 -5281.1	   137.7
-  25940.0000	   201.0	   168.5	 -5290.2	   137.8
-  25945.0000	   160.8	   168.6	 -5330.5	   137.8
-  25950.0000	   241.1	   168.6	 -5250.2	   137.9
-  25955.0000	   201.0	   168.7	 -5290.4	   137.9
-  25960.0000	   131.0	   168.7	 -5360.4	   138.0
-  25965.0000	   201.5	   168.8	 -5290.0	   138.0
-  25970.0000	   211.6	   168.8	 -5279.9	   138.1
-  25975.0000	   191.4	   168.9	 -5300.2	   138.1
-  25980.0000	   171.9	   168.9	 -5319.7	   138.2
-  25985.0000	   202.3	   169.0	 -5289.4	   138.2
-  25990.0000	   242.7	   169.0	 -5249.0	   138.3
-  25995.0000	   131.6	   169.1	 -5360.2	   138.3
-  26000.0000	   131.8	   169.1	 -5360.0	   138.4
-  26005.0000	   142.0	   169.2	 -5349.9	   138.4
-  26010.0000	   152.1	   169.2	 -5339.8	   138.5
-  26015.0000	   162.5	   169.3	 -5329.5	   138.5
-  26020.0000	   172.9	   169.3	 -5319.1	   138.6
-  26025.0000	   132.2	   169.4	 -5359.9	   138.6
-  26030.0000	   213.6	   169.4	 -5278.5	   138.7
-  26035.0000	   122.2	   169.5	 -5370.0	   138.7
-  26040.0000	   183.5	   169.5	 -5308.7	   138.8
-  26045.0000	   152.9	   169.6	 -5339.4	   138.8
-  26050.0000	   204.3	   169.6	 -5288.0	   138.9
-  26055.0000	   112.4	   169.7	 -5380.0	   138.9
-  26060.0000	   174.1	   169.7	 -5318.3	   138.9
-  26065.0000	   133.1	   169.8	 -5359.4	   139.0
-  26070.0000	   112.8	   169.8	 -5379.7	   139.0
-  26075.0000	   246.2	   169.8	 -5246.4	   139.1
-  26080.0000	   205.7	   169.9	 -5286.9	   139.1
-  26085.0000	   216.0	   169.9	 -5276.7	   139.2
-  26090.0000	   206.1	   170.0	 -5286.6	   139.2
-  26095.0000	   144.3	   170.0	 -5348.5	   139.3
-  26100.0000	   175.4	   170.1	 -5317.4	   139.3
-  26105.0000	   154.7	   170.1	 -5338.1	   139.4
-  26110.0000	   124.0	   170.2	 -5368.9	   139.4
-  26115.0000	   144.9	   170.2	 -5348.0	   139.5
-  26120.0000	    82.8	   170.3	 -5410.2	   139.5
-  26125.0000	   124.5	   170.3	 -5368.5	   139.6
-  26130.0000	   228.3	   170.4	 -5264.8	   139.6
-  26135.0000	   166.3	   170.4	 -5326.8	   139.7
-  26140.0000	   259.9	   170.5	 -5233.3	   139.7
-  26145.0000	   114.6	   170.5	 -5378.6	   139.8
-  26150.0000	   135.4	   170.6	 -5357.9	   139.8
-  26155.0000	   177.5	   170.6	 -5315.8	   139.9
-  26160.0000	   208.9	   170.7	 -5284.5	   139.9
-  26165.0000	   167.4	   170.7	 -5326.0	   140.0
-  26170.0000	   188.4	   170.8	 -5305.1	   140.0
-  26175.0000	   136.2	   170.8	 -5357.3	   140.1
-  26180.0000	   199.5	   170.9	 -5294.1	   140.1
-  26185.0000	   210.0	   170.9	 -5283.6	   140.2
-  26190.0000	   126.0	   171.0	 -5367.7	   140.2
-  26195.0000	   241.8	   171.0	 -5251.9	   140.3
-  26200.0000	   221.2	   171.1	 -5272.6	   140.3
-  26205.0000	   179.1	   171.1	 -5314.7	   140.4
-  26210.0000	   147.5	   171.2	 -5346.4	   140.4
-  26215.0000	   116.1	   171.2	 -5377.8	   140.5
-  26220.0000	   169.2	   171.3	 -5324.8	   140.5
-  26225.0000	   169.2	   171.3	 -5324.8	   140.6
-  26230.0000	   264.4	   171.4	 -5229.7	   140.6
-  26235.0000	   158.9	   171.4	 -5335.2	   140.7
-  26240.0000	   180.1	   171.5	 -5314.1	   140.7
-  26245.0000	   190.7	   171.5	 -5303.5	   140.8
-  26250.0000	   137.7	   171.6	 -5356.6	   140.8
-  26255.0000	   116.9	   171.6	 -5377.4	   140.9
-  26260.0000	   180.7	   171.7	 -5313.7	   140.9
-  26265.0000	   159.4	   171.7	 -5335.0	   141.0
-  26270.0000	   138.2	   171.8	 -5356.3	   141.0
-  26275.0000	   213.1	   171.8	 -5281.4	   141.1
-  26280.0000	   159.8	   171.9	 -5334.8	   141.1
-  26285.0000	   234.4	   171.9	 -5260.2	   141.2
-  26290.0000	   138.5	   172.0	 -5356.2	   141.2
-  26295.0000	   160.4	   172.0	 -5334.3	   141.3
-  26300.0000	   160.4	   172.1	 -5334.4	   141.3
-  26305.0000	   139.0	   172.1	 -5355.8	   141.4
-  26310.0000	   149.8	   172.2	 -5345.1	   141.4
-  26315.0000	   193.0	   172.2	 -5301.9	   141.5
-  26320.0000	   193.0	   172.3	 -5302.0	   141.5
-  26325.0000	   193.0	   172.3	 -5302.0	   141.6
-  26330.0000	   139.7	   172.4	 -5355.4	   141.6
-  26335.0000	   129.1	   172.4	 -5366.0	   141.7
-  26340.0000	   204.4	   172.5	 -5290.8	   141.7
-  26345.0000	   139.9	   172.5	 -5355.3	   141.8
-  26350.0000	   151.4	   172.6	 -5343.9	   141.8
-  26355.0000	   194.6	   172.6	 -5300.7	   141.9
-  26360.0000	   216.2	   172.7	 -5279.2	   141.9
-  26365.0000	   140.8	   172.7	 -5354.6	   142.0
-  26370.0000	   130.1	   172.8	 -5365.4	   142.0
-  26375.0000	    97.6	   172.8	 -5397.9	   142.1
-  26380.0000	   151.8	   172.9	 -5343.8	   142.1
-  26385.0000	   152.1	   172.9	 -5343.5	   142.2
-  26390.0000	   217.7	   173.0	 -5278.0	   142.2
-  26395.0000	   174.1	   173.0	 -5321.6	   142.3
-  26400.0000	   130.6	   173.1	 -5365.2	   142.3
-  26405.0000	   229.2	   173.1	 -5266.6	   142.4
-  26410.0000	   207.6	   173.2	 -5288.3	   142.4
-  26415.0000	   163.9	   173.2	 -5332.0	   142.5
-  26420.0000	    98.6	   173.3	 -5397.4	   142.5
-  26425.0000	   164.3	   173.3	 -5331.7	   142.6
-  26430.0000	   175.5	   173.4	 -5320.6	   142.6
-  26435.0000	   164.6	   173.4	 -5331.5	   142.7
-  26440.0000	   120.8	   173.5	 -5375.4	   142.7
-  26445.0000	   208.6	   173.5	 -5287.6	   142.8
-  26450.0000	   176.0	   173.6	 -5320.3	   142.8
-  26455.0000	   197.9	   173.6	 -5298.4	   142.9
-  26460.0000	   132.3	   173.7	 -5364.1	   142.9
-  26465.0000	   187.4	   173.7	 -5309.0	   143.0
-  26470.0000	   132.6	   173.8	 -5363.9	   143.0
-  26475.0000	   210.0	   173.8	 -5286.5	   143.1
-  26480.0000	   132.8	   173.9	 -5363.8	   143.1
-  26485.0000	   110.7	   173.9	 -5385.9	   143.2
-  26490.0000	   188.4	   174.0	 -5308.3	   143.2
-  26495.0000	   210.9	   174.0	 -5285.8	   143.3
-  26500.0000	   177.6	   174.1	 -5319.2	   143.3
-  26505.0000	   155.4	   174.1	 -5341.4	   143.4
-  26510.0000	   211.5	   174.2	 -5285.4	   143.4
-  26515.0000	   156.2	   174.2	 -5340.8	   143.5
-  26520.0000	   212.0	   174.3	 -5285.0	   143.5
-  26525.0000	   189.7	   174.3	 -5307.4	   143.6
-  26530.0000	   201.2	   174.4	 -5295.9	   143.6
-  26535.0000	   145.6	   174.4	 -5351.6	   143.7
-  26540.0000	   145.6	   174.5	 -5351.6	   143.7
-  26545.0000	   201.6	   174.5	 -5295.7	   143.8
-  26550.0000	   146.2	   174.6	 -5351.1	   143.8
-  26555.0000	   135.0	   174.7	 -5362.4	   143.9
-  26560.0000	   191.2	   174.7	 -5306.2	   143.9
-  26565.0000	   203.0	   174.8	 -5294.5	   144.0
-  26570.0000	   169.4	   174.8	 -5328.1	   144.0
-  26575.0000	   214.6	   174.9	 -5283.0	   144.1
-  26580.0000	   146.9	   174.9	 -5350.7	   144.2
-  26585.0000	   135.8	   175.0	 -5361.9	   144.2
-  26590.0000	   204.1	   175.0	 -5293.6	   144.3
-  26595.0000	   238.1	   175.1	 -5259.7	   144.3
-  26600.0000	   238.1	   175.1	 -5259.7	   144.4
-  26605.0000	   136.5	   175.2	 -5361.4	   144.4
-  26610.0000	   102.4	   175.2	 -5395.5	   144.5
-  26615.0000	   227.6	   175.3	 -5270.4	   144.5
-  26620.0000	   102.4	   175.3	 -5395.6	   144.6
-  26625.0000	   216.9	   175.4	 -5281.2	   144.6
-  26630.0000	   262.5	   175.4	 -5235.6	   144.7
-  26635.0000	   296.8	   175.5	 -5201.4	   144.7
-  26640.0000	   171.2	   175.5	 -5327.0	   144.8
-  26645.0000	   195.0	   175.6	 -5303.3	   144.8
-  26650.0000	   149.2	   175.6	 -5349.1	   144.9
-  26655.0000	   195.0	   175.7	 -5303.4	   144.9
-  26660.0000	   183.6	   175.7	 -5314.8	   145.0
-  26665.0000	   138.3	   175.8	 -5360.2	   145.0
-  26670.0000	   253.6	   175.8	 -5244.9	   145.1
-  26675.0000	   161.4	   175.9	 -5337.2	   145.1
-  26680.0000	   161.6	   175.9	 -5337.0	   145.2
-  26685.0000	   161.8	   176.0	 -5336.9	   145.2
-  26690.0000	   184.9	   176.0	 -5313.8	   145.3
-  26695.0000	   208.0	   176.1	 -5290.8	   145.3
-  26700.0000	   219.8	   176.1	 -5279.0	   145.4
-  26705.0000	   139.1	   176.2	 -5359.8	   145.4
-  26710.0000	   127.5	   176.2	 -5371.4	   145.5
-  26715.0000	   197.1	   176.3	 -5301.9	   145.5
-  26720.0000	   185.8	   176.3	 -5313.2	   145.6
-  26725.0000	   267.5	   176.4	 -5231.6	   145.6
-  26730.0000	   174.4	   176.4	 -5324.7	   145.7
-  26735.0000	   174.8	   176.5	 -5324.4	   145.7
-  26740.0000	   104.9	   176.5	 -5394.3	   145.8
-  26745.0000	   280.4	   176.6	 -5218.9	   145.8
-  26750.0000	   116.8	   176.6	 -5382.5	   145.9
-  26755.0000	   164.0	   176.7	 -5335.4	   145.9
-  26760.0000	   199.1	   176.7	 -5300.3	   146.0
-  26765.0000	   176.1	   176.8	 -5323.4	   146.0
-  26770.0000	   164.4	   176.8	 -5335.1	   146.1
-  26775.0000	   188.3	   176.9	 -5311.3	   146.1
-  26780.0000	   188.3	   176.9	 -5311.3	   146.2
-  26785.0000	   177.2	   177.0	 -5322.5	   146.2
-  26790.0000	   118.1	   177.0	 -5381.6	   146.3
-  26795.0000	   260.3	   177.1	 -5239.5	   146.3
-  26800.0000	   189.8	   177.1	 -5310.0	   146.4
-  26805.0000	   225.4	   177.2	 -5274.5	   146.4
-  26810.0000	   154.4	   177.2	 -5345.5	   146.5
-  26815.0000	   118.8	   177.3	 -5381.2	   146.5
-  26820.0000	   226.0	   177.3	 -5274.0	   146.6
-  26825.0000	   202.2	   177.4	 -5297.9	   146.6
-  26830.0000	   226.6	   177.4	 -5273.5	   146.7
-  26835.0000	    95.4	   177.5	 -5404.8	   146.7
-  26840.0000	   179.3	   177.5	 -5320.9	   146.8
-  26845.0000	   155.4	   177.6	 -5344.9	   146.8
-  26850.0000	   179.5	   177.6	 -5320.8	   146.9
-  26855.0000	   179.5	   177.7	 -5320.9	   146.9
-  26860.0000	   119.8	   177.7	 -5380.6	   147.0
-  26865.0000	   204.0	   177.8	 -5296.5	   147.0
-  26870.0000	   168.0	   177.8	 -5332.5	   147.1
-  26875.0000	   144.0	   177.9	 -5356.6	   147.1
-  26880.0000	   180.1	   177.9	 -5320.5	   147.2
-  26885.0000	   108.3	   178.0	 -5392.4	   147.2
-  26890.0000	   228.6	   178.0	 -5272.1	   147.3
-  26895.0000	   156.4	   178.1	 -5344.4	   147.3
-  26900.0000	   192.8	   178.1	 -5308.0	   147.4
-  26905.0000	   144.9	   178.2	 -5356.0	   147.4
-  26910.0000	   253.6	   178.2	 -5247.3	   147.5
-  26915.0000	   241.5	   178.3	 -5259.5	   147.5
-  26920.0000	   279.0	   178.3	 -5222.0	   147.6
-  26925.0000	   181.9	   178.4	 -5319.2	   147.6
-  26930.0000	   206.2	   178.4	 -5294.9	   147.7
-  26935.0000	   145.6	   178.5	 -5355.6	   147.7
-  26940.0000	   121.6	   178.5	 -5379.6	   147.8
-  26945.0000	   194.6	   178.6	 -5306.7	   147.8
-  26950.0000	   194.6	   178.6	 -5306.7	   147.9
-  26955.0000	   304.1	   178.7	 -5197.3	   147.9
-  26960.0000	   170.9	   178.7	 -5330.5	   148.0
-  26965.0000	   183.1	   178.8	 -5318.4	   148.0
-  26970.0000	   195.3	   178.8	 -5306.2	   148.1
-  26975.0000	   183.1	   178.9	 -5318.5	   148.1
-  26980.0000	   183.5	   178.9	 -5318.1	   148.2
-  26985.0000	   195.8	   179.0	 -5305.9	   148.2
-  26990.0000	   256.9	   179.0	 -5244.8	   148.3
-  26995.0000	   196.1	   179.1	 -5305.7	   148.3
-  27000.0000	   196.7	   179.1	 -5305.1	   148.4
-  27005.0000	   159.8	   179.2	 -5342.1	   148.4
-  27010.0000	   122.9	   179.2	 -5379.0	   148.5
-  27015.0000	   246.2	   179.3	 -5255.8	   148.5
-  27020.0000	   222.3	   179.3	 -5279.7	   148.6
-  27025.0000	   160.5	   179.4	 -5341.6	   148.6
-  27030.0000	    98.8	   179.4	 -5403.3	   148.7
-  27035.0000	   173.2	   179.5	 -5329.0	   148.7
-  27040.0000	   235.1	   179.5	 -5267.1	   148.8
-  27045.0000	   210.3	   179.6	 -5292.0	   148.8
-  27050.0000	   247.6	   179.6	 -5254.7	   148.9
-  27055.0000	   161.4	   179.7	 -5341.0	   148.9
-  27060.0000	   198.6	   179.7	 -5303.8	   149.0
-  27065.0000	   260.7	   179.8	 -5241.8	   149.0
-  27070.0000	   161.6	   179.8	 -5340.9	   149.1
-  27075.0000	   174.2	   179.9	 -5328.4	   149.1
-  27080.0000	   261.3	   179.9	 -5241.3	   149.2
-  27085.0000	   161.8	   180.0	 -5340.9	   149.2
-  27090.0000	   286.5	   180.0	 -5216.2	   149.3
-  27095.0000	   137.4	   180.1	 -5365.4	   149.3
-  27100.0000	   199.8	   180.1	 -5303.0	   149.4
-  27105.0000	   175.3	   180.2	 -5327.6	   149.4
-  27110.0000	   162.7	   180.2	 -5340.2	   149.5
-  27115.0000	   188.0	   180.3	 -5315.0	   149.5
-  27120.0000	   175.5	   180.3	 -5327.5	   149.6
-  27125.0000	   175.9	   180.4	 -5327.2	   149.6
-  27130.0000	   201.0	   180.4	 -5302.1	   149.7
-  27135.0000	   264.2	   180.5	 -5239.0	   149.7
-  27140.0000	   176.1	   180.5	 -5327.1	   149.8
-  27145.0000	   188.9	   180.6	 -5314.4	   149.8
-  27150.0000	   100.8	   180.6	 -5402.5	   149.9
-  27155.0000	   252.3	   180.7	 -5251.1	   149.9
-  27160.0000	   264.9	   180.7	 -5238.5	   150.0
-  27165.0000	    63.2	   180.8	 -5440.3	   150.0
-  27170.0000	   214.8	   180.8	 -5288.7	   150.1
-  27175.0000	   164.8	   180.9	 -5338.8	   150.1
-  27180.0000	   165.2	   180.9	 -5338.4	   150.2
-  27185.0000	   266.9	   181.0	 -5236.8	   150.2
-  27190.0000	   190.6	   181.0	 -5313.1	   150.3
-  27195.0000	   152.8	   181.1	 -5351.0	   150.3
-  27200.0000	   191.5	   181.1	 -5312.3	   150.4
-  27205.0000	   178.7	   181.2	 -5325.2	   150.4
-  27210.0000	   204.2	   181.2	 -5299.7	   150.5
-  27215.0000	    89.6	   181.3	 -5414.4	   150.5
-  27220.0000	   153.9	   181.3	 -5350.1	   150.6
-  27225.0000	   166.7	   181.4	 -5337.4	   150.6
-  27230.0000	   230.9	   181.4	 -5273.2	   150.7
-  27235.0000	   283.1	   181.5	 -5221.1	   150.7
-  27240.0000	   128.7	   181.5	 -5375.5	   150.8
-  27245.0000	   218.7	   181.6	 -5285.6	   150.8
-  27250.0000	   154.6	   181.6	 -5349.7	   150.9
-  27255.0000	   232.0	   181.7	 -5272.4	   150.9
-  27260.0000	   232.0	   181.7	 -5272.4	   151.0
-  27265.0000	   206.2	   181.8	 -5298.3	   151.0
-  27270.0000	   232.3	   181.8	 -5272.2	   151.1
-  27275.0000	   193.7	   181.9	 -5310.9	   151.1
-  27280.0000	   180.8	   181.9	 -5323.8	   151.1
-  27285.0000	   258.3	   181.9	 -5246.4	   151.2
-  27290.0000	   142.7	   182.0	 -5362.0	   151.2
-  27295.0000	   246.4	   182.0	 -5258.4	   151.3
-  27300.0000	   168.6	   182.1	 -5336.2	   151.3
-  27305.0000	   181.6	   182.1	 -5323.2	   151.4
-  27310.0000	   195.1	   182.2	 -5309.8	   151.4
-  27315.0000	   351.1	   182.2	 -5153.8	   151.5
-  27320.0000	   195.1	   182.3	 -5309.9	   151.5
-  27325.0000	   143.1	   182.3	 -5361.9	   151.6
-  27330.0000	   234.6	   182.4	 -5270.5	   151.6
-  27335.0000	   234.6	   182.4	 -5270.5	   151.7
-  27340.0000	   117.3	   182.5	 -5387.9	   151.7
-  27345.0000	   143.3	   182.5	 -5361.9	   151.8
-  27350.0000	   144.0	   182.6	 -5361.3	   151.8
-  27355.0000	   130.9	   182.6	 -5374.4	   151.9
-  27360.0000	   196.3	   182.7	 -5309.1	   151.9
-  27365.0000	   209.5	   182.7	 -5295.9	   152.0
-  27370.0000	   209.9	   182.8	 -5295.6	   152.0
-  27375.0000	   183.7	   182.8	 -5321.8	   152.1
-  27380.0000	   209.9	   182.9	 -5295.7	   152.1
-  27385.0000	    92.0	   182.9	 -5413.6	   152.2
-  27390.0000	   236.8	   183.0	 -5268.9	   152.2
-  27395.0000	   144.7	   183.0	 -5361.0	   152.3
-  27400.0000	   184.2	   183.1	 -5321.6	   152.3
-  27405.0000	   289.8	   183.1	 -5216.0	   152.4
-  27410.0000	   118.8	   183.2	 -5387.1	   152.4
-  27415.0000	   158.4	   183.2	 -5347.5	   152.4
-  27420.0000	   132.3	   183.2	 -5373.7	   152.5
-  27425.0000	   172.0	   183.3	 -5334.0	   152.5
-  27430.0000	   198.7	   183.3	 -5307.3	   152.6
-  27435.0000	   145.7	   183.4	 -5360.4	   152.6
-  27440.0000	   265.7	   183.4	 -5240.4	   152.7
-  27445.0000	   159.4	   183.5	 -5346.8	   152.7
-  27450.0000	   226.4	   183.5	 -5279.8	   152.8
-  27455.0000	   146.5	   183.6	 -5359.8	   152.8
-  27460.0000	   186.6	   183.6	 -5319.7	   152.9
-  27465.0000	   253.2	   183.7	 -5253.2	   152.9
-  27470.0000	   187.2	   183.7	 -5319.2	   153.0
-  27475.0000	   227.6	   183.8	 -5278.9	   153.0
-  27480.0000	   147.3	   183.8	 -5359.2	   153.1
-  27485.0000	    94.0	   183.9	 -5412.6	   153.1
-  27490.0000	   214.8	   183.9	 -5291.8	   153.2
-  27495.0000	   242.0	   184.0	 -5264.7	   153.2
-  27500.0000	   215.1	   184.0	 -5291.6	   153.2
-  27505.0000	   121.3	   184.0	 -5385.5	   153.3
-  27510.0000	   229.2	   184.1	 -5277.6	   153.3
-  27515.0000	   270.0	   184.1	 -5236.8	   153.4
-  27520.0000	   175.5	   184.2	 -5331.4	   153.4
-  27525.0000	   162.3	   184.2	 -5344.6	   153.5
-  27530.0000	   148.8	   184.3	 -5358.2	   153.5
-  27535.0000	    67.8	   184.3	 -5439.2	   153.6
-  27540.0000	   176.2	   184.4	 -5330.9	   153.6
-  27545.0000	   231.1	   184.4	 -5276.0	   153.7
-  27550.0000	   163.3	   184.5	 -5343.9	   153.7
-  27555.0000	   204.1	   184.5	 -5303.1	   153.8
-  27560.0000	    95.3	   184.6	 -5412.0	   153.8
-  27565.0000	   286.2	   184.6	 -5221.1	   153.9
-  27570.0000	   163.8	   184.7	 -5343.6	   153.9
-  27575.0000	   273.0	   184.7	 -5234.4	   153.9
-  27580.0000	   191.1	   184.7	 -5316.4	   154.0
-  27585.0000	   177.8	   184.8	 -5329.7	   154.0
-  27590.0000	   137.1	   184.8	 -5370.4	   154.1
-  27595.0000	   274.2	   184.9	 -5233.4	   154.1
-  27600.0000	   233.0	   184.9	 -5274.6	   154.2
-  27605.0000	   178.8	   185.0	 -5328.9	   154.2
-  27610.0000	   192.5	   185.0	 -5315.2	   154.3
-  27615.0000	   247.6	   185.1	 -5260.2	   154.3
-  27620.0000	   151.3	   185.1	 -5356.5	   154.4
-  27625.0000	   220.9	   185.2	 -5287.0	   154.4
-  27630.0000	   138.1	   185.2	 -5369.8	   154.5
-  27635.0000	   138.1	   185.3	 -5369.9	   154.5
-  27640.0000	   179.5	   185.3	 -5328.5	   154.5
-  27645.0000	   249.4	   185.3	 -5258.6	   154.6
-  27650.0000	   207.8	   185.4	 -5300.3	   154.6
-  27655.0000	   194.0	   185.4	 -5314.1	   154.7
-  27660.0000	   180.5	   185.5	 -5327.7	   154.7
-  27665.0000	   208.6	   185.5	 -5299.6	   154.8
-  27670.0000	   152.9	   185.6	 -5355.4	   154.8
-  27675.0000	   152.9	   185.6	 -5355.4	   154.9
-  27680.0000	   250.9	   185.7	 -5257.5	   154.9
-  27685.0000	   111.7	   185.7	 -5396.7	   155.0
-  27690.0000	   223.4	   185.7	 -5285.1	   155.0
-  27695.0000	   153.6	   185.8	 -5354.9	   155.0
-  27700.0000	   182.0	   185.8	 -5326.5	   155.1
-  27705.0000	   126.0	   185.9	 -5382.6	   155.1
-  27710.0000	   224.0	   185.9	 -5284.6	   155.2
-  27715.0000	   140.0	   186.0	 -5368.7	   155.2
-  27720.0000	   140.2	   186.0	 -5368.5	   155.3
-  27725.0000	   140.2	   186.1	 -5368.6	   155.3
-  27730.0000	   266.4	   186.1	 -5242.4	   155.4
-  27735.0000	   182.5	   186.2	 -5326.4	   155.4
-  27740.0000	   182.8	   186.2	 -5326.1	   155.4
-  27745.0000	   154.7	   186.2	 -5354.2	   155.5
-  27750.0000	   140.6	   186.3	 -5368.4	   155.5
-  27755.0000	   126.8	   186.3	 -5382.2	   155.6
-  27760.0000	   212.0	   186.4	 -5297.1	   155.6
-  27765.0000	   212.0	   186.4	 -5297.1	   155.7
-  27770.0000	   212.0	   186.5	 -5297.2	   155.7
-  27775.0000	    84.9	   186.5	 -5424.3	   155.8
-  27780.0000	   184.4	   186.6	 -5324.9	   155.8
-  27785.0000	   212.7	   186.6	 -5296.6	   155.8
-  27790.0000	   156.2	   186.6	 -5353.1	   155.9
-  27795.0000	   213.1	   186.7	 -5296.3	   155.9
-  27800.0000	   227.9	   186.7	 -5281.5	   156.0
-  27805.0000	   171.0	   186.8	 -5338.5	   156.0
-  27810.0000	   199.3	   186.8	 -5310.2	   156.1
-  27815.0000	   256.4	   186.9	 -5253.2	   156.1
-  27820.0000	   114.1	   186.9	 -5395.5	   156.1
-  27825.0000	    85.6	   186.9	 -5424.0	   156.2
-  27830.0000	   185.7	   187.0	 -5324.0	   156.2
-  27835.0000	   271.7	   187.0	 -5238.0	   156.3
-  27840.0000	   200.3	   187.1	 -5309.5	   156.3
-  27845.0000	   200.5	   187.1	 -5309.3	   156.4
-  27850.0000	   215.0	   187.2	 -5294.9	   156.4
-  27855.0000	   215.2	   187.2	 -5294.7	   156.5
-  27860.0000	   158.0	   187.2	 -5352.0	   156.5
-  27865.0000	   100.6	   187.3	 -5409.4	   156.5
-  27870.0000	   129.5	   187.3	 -5380.5	   156.6
-  27875.0000	   216.0	   187.4	 -5294.1	   156.6
-  27880.0000	   144.1	   187.4	 -5366.0	   156.7
-  27885.0000	   101.0	   187.5	 -5409.2	   156.7
-  27890.0000	   173.3	   187.5	 -5336.9	   156.8
-  27895.0000	   144.5	   187.5	 -5365.8	   156.8
-  27900.0000	   202.5	   187.6	 -5307.8	   156.8
-  27905.0000	   202.7	   187.6	 -5307.6	   156.9
-  27910.0000	   231.9	   187.7	 -5278.5	   156.9
-  27915.0000	   130.5	   187.7	 -5379.9	   157.0
-  27920.0000	   232.3	   187.8	 -5278.2	   157.0
-  27925.0000	   130.8	   187.8	 -5379.7	   157.0
-  27930.0000	   203.6	   187.8	 -5306.9	   157.1
-  27935.0000	   276.6	   187.9	 -5234.0	   157.1
-  27940.0000	   160.3	   187.9	 -5350.3	   157.2
-  27945.0000	   218.7	   188.0	 -5292.0	   157.2
-  27950.0000	   218.9	   188.0	 -5291.8	   157.3
-  27955.0000	   116.9	   188.1	 -5393.9	   157.3
-  27960.0000	   190.1	   188.1	 -5320.7	   157.3
-  27965.0000	   219.5	   188.1	 -5291.3	   157.4
-  27970.0000	   278.3	   188.2	 -5232.6	   157.4
-  27975.0000	   307.9	   188.2	 -5203.0	   157.5
-  27980.0000	   190.8	   188.3	 -5320.2	   157.5
-  27985.0000	   205.6	   188.3	 -5305.4	   157.5
-  27990.0000	   102.9	   188.3	 -5408.1	   157.6
-  27995.0000	    88.3	   188.4	 -5422.8	   157.6
-  28000.0000	   235.6	   188.4	 -5275.5	   157.7
-  28005.0000	   162.1	   188.5	 -5349.1	   157.7
-  28010.0000	   132.8	   188.5	 -5378.4	   157.8
-  28015.0000	   162.4	   188.6	 -5348.9	   157.8
-  28020.0000	   177.4	   188.6	 -5333.9	   157.8
-  28025.0000	   266.3	   188.6	 -5245.0	   157.9
-  28030.0000	   325.7	   188.7	 -5185.7	   157.9
-  28035.0000	   118.6	   188.7	 -5392.8	   158.0
-  28040.0000	   178.0	   188.8	 -5333.5	   158.0
-  28045.0000	   178.1	   188.8	 -5333.4	   158.0
-  28050.0000	   208.0	   188.8	 -5303.5	   158.1
-  28055.0000	   178.5	   188.9	 -5333.1	   158.1
-  28060.0000	   178.6	   188.9	 -5333.0	   158.2
-  28065.0000	   193.7	   189.0	 -5318.0	   158.2
-  28070.0000	   208.8	   189.0	 -5302.9	   158.2
-  28075.0000	   134.3	   189.0	 -5377.4	   158.3
-  28080.0000	   209.1	   189.1	 -5302.7	   158.3
-  28085.0000	   164.5	   189.1	 -5347.3	   158.4
-  28090.0000	    89.8	   189.2	 -5422.1	   158.4
-  28095.0000	   164.8	   189.2	 -5347.1	   158.4
-  28100.0000	   194.9	   189.2	 -5317.0	   158.5
-  28105.0000	   180.1	   189.3	 -5331.9	   158.5
-  28110.0000	   195.2	   189.3	 -5316.8	   158.6
-  28115.0000	   165.3	   189.4	 -5346.8	   158.6
-  28120.0000	   210.6	   189.4	 -5301.5	   158.6
-  28125.0000	   180.7	   189.4	 -5331.4	   158.7
-  28130.0000	   165.8	   189.5	 -5346.4	   158.7
-  28135.0000	   165.9	   189.5	 -5346.3	   158.8
-  28140.0000	   226.5	   189.6	 -5285.8	   158.8
-  28145.0000	   196.5	   189.6	 -5315.8	   158.8
-  28150.0000	   211.8	   189.6	 -5300.5	   158.9
-  28155.0000	   227.1	   189.7	 -5285.3	   158.9
-  28160.0000	   136.4	   189.7	 -5376.0	   159.0
-  28165.0000	   166.8	   189.7	 -5345.7	   159.0
-  28170.0000	   151.8	   189.8	 -5360.7	   159.0
-  28175.0000	   227.9	   189.8	 -5284.6	   159.1
-  28180.0000	    91.2	   189.9	 -5421.4	   159.1
-  28185.0000	   213.1	   189.9	 -5299.5	   159.1
-  28190.0000	   243.7	   189.9	 -5268.9	   159.2
-  28195.0000	   122.0	   190.0	 -5390.7	   159.2
-  28200.0000	   228.9	   190.0	 -5283.8	   159.3
-  28205.0000	   381.8	   190.1	 -5131.0	   159.3
-  28210.0000	   275.2	   190.1	 -5237.6	   159.3
-  28215.0000	   168.3	   190.1	 -5344.5	   159.4
-  28220.0000	   199.1	   190.2	 -5313.8	   159.4
-  28225.0000	   245.3	   190.2	 -5267.6	   159.5
-  28230.0000	   184.1	   190.2	 -5328.9	   159.5
-  28235.0000	   215.0	   190.3	 -5298.0	   159.5
-  28240.0000	   169.1	   190.3	 -5343.9	   159.6
-  28245.0000	   169.2	   190.4	 -5343.9	   159.6
-  28250.0000	   184.8	   190.4	 -5328.3	   159.6
-  28255.0000	   154.1	   190.4	 -5359.0	   159.7
-  28260.0000	   293.0	   190.5	 -5220.2	   159.7
-  28265.0000	   324.2	   190.5	 -5189.0	   159.8
-  28270.0000	   123.6	   190.5	 -5389.7	   159.8
-  28275.0000	   108.3	   190.6	 -5405.0	   159.8
-  28280.0000	   154.8	   190.6	 -5358.5	   159.9
-  28285.0000	   263.3	   190.7	 -5250.1	   159.9
-  28290.0000	   201.6	   190.7	 -5311.8	   159.9
-  28295.0000	   248.3	   190.7	 -5265.1	   160.0
-  28300.0000	   295.1	   190.8	 -5218.4	   160.0
-  28305.0000	   217.6	   190.8	 -5295.9	   160.1
-  28310.0000	    93.4	   190.8	 -5420.1	   160.1
-  28315.0000	   171.3	   190.9	 -5342.3	   160.1
-  28320.0000	   218.2	   190.9	 -5295.4	   160.2
-  28325.0000	   124.8	   191.0	 -5388.9	   160.2
-  28330.0000	   249.8	   191.0	 -5263.9	   160.2
-  28335.0000	   187.5	   191.0	 -5326.2	   160.3
-  28340.0000	   125.1	   191.1	 -5388.7	   160.3
-  28345.0000	   203.5	   191.1	 -5310.3	   160.3
-  28350.0000	   250.7	   191.1	 -5263.1	   160.4
-  28355.0000	   156.8	   191.2	 -5357.1	   160.4
-  28360.0000	   141.3	   191.2	 -5372.6	   160.4
-  28365.0000	   204.3	   191.2	 -5309.6	   160.5
-  28370.0000	   220.2	   191.3	 -5293.8	   160.5
-  28375.0000	   314.8	   191.3	 -5199.2	   160.6
-  28380.0000	   110.3	   191.3	 -5403.7	   160.6
-  28385.0000	   205.0	   191.4	 -5309.1	   160.6
-  28390.0000	   205.2	   191.4	 -5308.9	   160.7
-  28395.0000	   331.7	   191.5	 -5182.5	   160.7
-  28400.0000	   205.5	   191.5	 -5308.7	   160.7
-  28405.0000	   332.3	   191.5	 -5181.9	   160.8
-  28410.0000	   190.0	   191.6	 -5324.3	   160.8
-  28415.0000	   221.9	   191.6	 -5292.4	   160.8
-  28420.0000	   190.4	   191.6	 -5323.9	   160.9
-  28425.0000	   174.7	   191.7	 -5339.7	   160.9
-  28430.0000	   270.2	   191.7	 -5244.2	   160.9
-  28435.0000	    79.5	   191.7	 -5434.9	   161.0
-  28440.0000	   254.7	   191.8	 -5259.8	   161.0
-  28445.0000	   239.0	   191.8	 -5275.5	   161.0
-  28450.0000	   287.1	   191.8	 -5227.4	   161.1
-  28455.0000	   255.4	   191.9	 -5259.2	   161.1
-  28460.0000	   191.7	   191.9	 -5322.9	   161.1
-  28465.0000	   319.8	   191.9	 -5194.8	   161.2
-  28470.0000	    96.0	   192.0	 -5418.7	   161.2
-  28475.0000	   224.3	   192.0	 -5290.4	   161.2
-  28480.0000	   160.3	   192.0	 -5354.4	   161.3
-  28485.0000	   144.4	   192.1	 -5370.4	   161.3
-  28490.0000	   224.9	   192.1	 -5289.9	   161.3
-  28495.0000	   144.7	   192.1	 -5370.1	   161.4
-  28500.0000	   241.3	   192.2	 -5273.6	   161.4
-  28505.0000	   161.0	   192.2	 -5353.9	   161.4
-  28510.0000	   257.9	   192.2	 -5257.0	   161.5
-  28515.0000	   274.2	   192.3	 -5240.8	   161.5
-  28520.0000	   177.6	   192.3	 -5337.4	   161.5
-  28525.0000	   242.4	   192.3	 -5272.6	   161.6
-  28530.0000	   291.1	   192.4	 -5224.0	   161.6
-  28535.0000	   291.4	   192.4	 -5223.7	   161.6
-  28540.0000	   259.2	   192.4	 -5255.9	   161.7
-  28545.0000	   210.8	   192.5	 -5304.4	   161.7
-  28550.0000	   146.1	   192.5	 -5369.1	   161.7
-  28555.0000	   211.2	   192.5	 -5304.0	   161.8
-  28560.0000	   276.4	   192.6	 -5238.9	   161.8
-  28565.0000	   244.1	   192.6	 -5271.2	   161.8
-  28570.0000	   162.9	   192.6	 -5352.4	   161.9
-  28575.0000	   130.4	   192.7	 -5385.0	   161.9
-  28580.0000	   146.8	   192.7	 -5368.6	   161.9
-  28585.0000	   326.6	   192.7	 -5188.8	   162.0
-  28590.0000	   212.5	   192.8	 -5303.0	   162.0
-  28595.0000	   130.9	   192.8	 -5384.6	   162.0
-  28600.0000	   262.0	   192.8	 -5253.5	   162.1
-  28605.0000	   213.0	   192.8	 -5302.5	   162.1
-  28610.0000	    98.4	   192.9	 -5417.2	   162.1
-  28615.0000	   213.4	   192.9	 -5302.2	   162.2
-  28620.0000	   115.0	   192.9	 -5400.6	   162.2
-  28625.0000	   296.0	   193.0	 -5219.7	   162.2
-  28630.0000	   230.4	   193.0	 -5285.3	   162.2
-  28635.0000	   230.6	   193.0	 -5285.1	   162.3
-  28640.0000	   181.4	   193.1	 -5334.4	   162.3
-  28645.0000	   148.5	   193.1	 -5367.3	   162.3
-  28650.0000	   214.7	   193.1	 -5301.1	   162.4
-  28655.0000	   165.3	   193.2	 -5350.6	   162.4
-  28660.0000	   281.3	   193.2	 -5234.6	   162.4
-  28665.0000	   198.7	   193.2	 -5317.2	   162.5
-  28670.0000	   132.6	   193.2	 -5383.3	   162.5
-  28675.0000	   116.1	   193.3	 -5399.9	   162.5
-  28680.0000	   199.2	   193.3	 -5316.8	   162.6
-  28685.0000	    33.2	   193.3	 -5482.8	   162.6
-  28690.0000	   266.1	   193.4	 -5250.0	   162.6
-  28695.0000	   116.5	   193.4	 -5399.6	   162.6
-  28700.0000	   266.6	   193.4	 -5249.5	   162.7
-  28705.0000	   183.4	   193.5	 -5332.8	   162.7
-  28710.0000	   217.0	   193.5	 -5299.2	   162.7
-  28715.0000	   133.6	   193.5	 -5382.6	   162.8
-  28720.0000	   234.1	   193.5	 -5282.1	   162.8
-  28725.0000	   133.9	   193.6	 -5382.4	   162.8
-  28730.0000	   150.7	   193.6	 -5365.6	   162.8
-  28735.0000	   268.2	   193.6	 -5248.1	   162.9
-  28740.0000	   268.5	   193.7	 -5247.9	   162.9
-  28745.0000	   251.9	   193.7	 -5264.5	   162.9
-  28750.0000	   184.9	   193.7	 -5331.5	   163.0
-  28755.0000	   151.4	   193.7	 -5365.0	   163.0
-  28760.0000	   134.7	   193.8	 -5381.8	   163.0
-  28765.0000	   219.1	   193.8	 -5297.4	   163.0
-  28770.0000	   286.7	   193.8	 -5229.8	   163.1
-  28775.0000	   185.7	   193.9	 -5330.9	   163.1
-  28780.0000	   202.7	   193.9	 -5313.9	   163.1
-  28785.0000	   202.9	   193.9	 -5313.7	   163.2
-  28790.0000	   304.6	   193.9	 -5212.0	   163.2
-  28795.0000	   169.4	   194.0	 -5347.3	   163.2
-  28800.0000	   237.4	   194.0	 -5279.3	   163.2
-  28805.0000	   135.8	   194.0	 -5380.9	   163.3
-  28810.0000	   203.8	   194.0	 -5313.0	   163.3
-  28815.0000	   170.0	   194.1	 -5346.8	   163.3
-  28820.0000	   170.1	   194.1	 -5346.7	   163.3
-  28825.0000	   255.4	   194.1	 -5261.4	   163.4
-  28830.0000	   289.7	   194.2	 -5227.2	   163.4
-  28835.0000	   307.0	   194.2	 -5209.9	   163.4
-  28840.0000	   204.9	   194.2	 -5312.0	   163.5
-  28845.0000	   205.0	   194.2	 -5311.9	   163.5
-  28850.0000	   171.0	   194.3	 -5346.0	   163.5
-  28855.0000	   273.9	   194.3	 -5243.1	   163.5
-  28860.0000	   274.1	   194.3	 -5242.9	   163.6
-  28865.0000	   205.8	   194.3	 -5311.2	   163.6
-  28870.0000	   223.1	   194.4	 -5294.0	   163.6
-  28875.0000	   120.2	   194.4	 -5396.9	   163.6
-  28880.0000	   154.7	   194.4	 -5362.4	   163.7
-  28885.0000	   189.3	   194.4	 -5327.8	   163.7
-  28890.0000	   155.0	   194.5	 -5362.2	   163.7
-  28895.0000	   189.6	   194.5	 -5327.6	   163.7
-  28900.0000	   207.0	   194.5	 -5310.2	   163.8
-  28905.0000	   207.2	   194.5	 -5310.1	   163.8
-  28910.0000	   138.2	   194.6	 -5379.1	   163.8
-  28915.0000	   276.7	   194.6	 -5240.6	   163.8
-  28920.0000	   311.6	   194.6	 -5205.7	   163.9
-  28925.0000	   138.6	   194.6	 -5378.8	   163.9
-  28930.0000	   225.4	   194.7	 -5292.0	   163.9
-  28935.0000	   208.3	   194.7	 -5309.1	   163.9
-  28940.0000	   243.2	   194.7	 -5274.2	   164.0
-  28945.0000	   208.6	   194.7	 -5308.8	   164.0
-  28950.0000	   226.2	   194.8	 -5291.3	   164.0
-  28955.0000	   139.3	   194.8	 -5378.2	   164.0
-  28960.0000	   139.4	   194.8	 -5378.1	   164.1
-  28965.0000	   226.8	   194.8	 -5290.7	   164.1
-  28970.0000	   244.5	   194.9	 -5273.1	   164.1
-  28975.0000	   262.1	   194.9	 -5255.5	   164.1
-  28980.0000	   192.4	   194.9	 -5325.2	   164.2
-  28985.0000	   140.0	   194.9	 -5377.6	   164.2
-  28990.0000	   297.9	   195.0	 -5219.8	   164.2
-  28995.0000	   175.4	   195.0	 -5342.3	   164.2
-  29000.0000	   315.9	   195.0	 -5201.8	   164.3
-  29005.0000	   210.8	   195.0	 -5306.9	   164.3
-  29010.0000	   369.2	   195.1	 -5148.6	   164.3
-  29015.0000	   140.8	   195.1	 -5377.0	   164.3
-  29020.0000	   176.1	   195.1	 -5341.7	   164.3
-  29025.0000	   105.8	   195.1	 -5412.0	   164.4
-  29030.0000	   211.7	   195.1	 -5306.2	   164.4
-  29035.0000	   123.6	   195.2	 -5394.3	   164.4
-  29040.0000	   141.4	   195.2	 -5376.5	   164.4
-  29045.0000	   194.6	   195.2	 -5323.3	   164.5
-  29050.0000	   212.4	   195.2	 -5305.5	   164.5
-  29055.0000	   248.0	   195.3	 -5270.0	   164.5
-  29060.0000	   230.5	   195.3	 -5287.5	   164.5
-  29065.0000	   230.7	   195.3	 -5287.3	   164.5
-  29070.0000	   266.5	   195.3	 -5251.5	   164.6
-  29075.0000	   106.7	   195.3	 -5411.3	   164.6
-  29080.0000	   213.5	   195.4	 -5304.6	   164.6
-  29085.0000	   285.0	   195.4	 -5233.1	   164.6
-  29090.0000	   267.4	   195.4	 -5250.7	   164.7
-  29095.0000	   142.7	   195.4	 -5375.4	   164.7
-  29100.0000	   107.1	   195.5	 -5411.1	   164.7
-  29105.0000	   143.0	   195.5	 -5375.2	   164.7
-  29110.0000	   232.5	   195.5	 -5285.7	   164.7
-  29115.0000	   179.0	   195.5	 -5339.2	   164.8
-  29120.0000	   143.3	   195.5	 -5374.9	   164.8
-  29125.0000	   197.3	   195.6	 -5321.0	   164.8
-  29130.0000	   197.4	   195.6	 -5320.9	   164.8
-  29135.0000	   287.4	   195.6	 -5230.9	   164.8
-  29140.0000	   143.8	   195.6	 -5374.5	   164.9
-  29145.0000	   197.9	   195.6	 -5320.4	   164.9
-  29150.0000	   180.1	   195.7	 -5338.3	   164.9
-  29155.0000	   180.3	   195.7	 -5338.1	   164.9
-  29160.0000	   198.4	   195.7	 -5320.0	   164.9
-  29165.0000	   234.7	   195.7	 -5283.7	   165.0
-  29170.0000	   108.4	   195.7	 -5410.0	   165.0
-  29175.0000	    90.4	   195.8	 -5428.1	   165.0
-  29180.0000	   253.4	   195.8	 -5265.1	   165.0
-  29185.0000	    90.6	   195.8	 -5427.9	   165.0
-  29190.0000	   163.2	   195.8	 -5355.3	   165.1
-  29195.0000	   163.3	   195.8	 -5355.2	   165.1
-  29200.0000	   181.7	   195.9	 -5336.9	   165.1
-  29205.0000	   218.2	   195.9	 -5300.4	   165.1
-  29210.0000	   272.9	   195.9	 -5245.7	   165.1
-  29215.0000	   182.1	   195.9	 -5336.5	   165.2
-  29220.0000	   200.5	   195.9	 -5318.1	   165.2
-  29225.0000	   182.4	   195.9	 -5336.2	   165.2
-  29230.0000	   182.6	   196.0	 -5336.1	   165.2
-  29235.0000	   182.7	   196.0	 -5336.0	   165.2
-  29240.0000	   256.0	   196.0	 -5262.7	   165.2
-  29245.0000	   219.7	   196.0	 -5299.0	   165.3
-  29250.0000	   146.6	   196.0	 -5372.1	   165.3
-  29255.0000	   201.7	   196.1	 -5317.1	   165.3
-  29260.0000	   238.6	   196.1	 -5280.2	   165.3
-  29265.0000	   238.8	   196.1	 -5280.0	   165.3
-  29270.0000	   183.8	   196.1	 -5335.0	   165.4
-  29275.0000	   165.6	   196.1	 -5353.2	   165.4
-  29280.0000	   368.3	   196.1	 -5150.5	   165.4
-  29285.0000	   147.4	   196.2	 -5371.5	   165.4
-  29290.0000	   221.4	   196.2	 -5297.5	   165.4
-  29295.0000	   110.8	   196.2	 -5408.1	   165.4
-  29300.0000	   129.3	   196.2	 -5389.6	   165.5
-  29305.0000	    92.5	   196.2	 -5426.4	   165.5
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-   3018.6199	        	        	        	        	       0	( 10  8  4)	  0  1 :  1
-   3027.0630	        	        	        	        	       0	(  9  7  7)	  0  1 :  1
-   3027.0630	        	        	        	        	       0	( 11  7  3)	  0  1 :  1
-   3027.0630	        	        	        	        	       0	( 13  3  1)	  0  1 :  1
-   3052.8232	        	        	        	        	       0	( 12  4  4)	  0  1 :  1
-   3088.2134	        	        	        	        	       0	( 10  6  6)	  0  1 :  1
-   3097.2542	        	        	        	        	       0	(  9  9  3)	  0  1 :  1
-   3097.2542	        	        	        	        	       0	( 13  1  1)	  0  1 :  1
-   3097.2544	        	        	        	        	       0	( 11  5  5)	  0  1 :  1
-   3097.2544	        	        	        	        	       0	( 11  7  1)	  0  1 :  1
-   3124.8596	        	        	        	        	       0	( 10  8  2)	  0  1 :  1
-   3162.8391	        	        	        	        	       0	(  8  8  6)	  0  1 :  1
-   3162.8389	        	        	        	        	       0	( 12  4  2)	  0  1 :  1
-   3172.5515	        	        	        	        	       0	(  9  9  1)	  0  1 :  1
-   3202.2332	        	        	        	        	       0	( 12  4  0)	  0  1 :  1
-   3253.6050	        	        	        	        	       0	(  9  7  5)	  0  1 :  1
-   3253.6050	        	        	        	        	       0	( 11  5  3)	  0  1 :  1
-   3285.6367	        	        	        	        	       0	( 10  6  4)	  0  1 :  1
-   3285.6367	        	        	        	        	       0	( 12  2  2)	  0  1 :  1
-   3341.1873	        	        	        	        	       0	(  7  7  7)	  0  1 :  1
-   3341.1877	        	        	        	        	       0	( 11  5  1)	  0  1 :  1
-   3375.8975	        	        	        	        	       0	(  8  8  4)	  0  1 :  1
-   3375.8975	        	        	        	        	       0	( 12  0  0)	  0  1 :  1
-   3423.9023	        	        	        	        	       0	( 10  6  2)	  0  1 :  1
-   3436.2258	        	        	        	        	       0	(  9  7  3)	  0  1 :  1
-   3436.2258	        	        	        	        	       0	( 11  3  3)	  0  1 :  1
-   3474.0090	        	        	        	        	       0	(  8  6  6)	  0  1 :  1
-   3474.0090	        	        	        	        	       0	( 10  6  0)	  0  1 :  1
-   3526.3767	        	        	        	        	       0	(  8  8  2)	  0  1 :  1
-   3526.3767	        	        	        	        	       0	( 10  4  4)	  0  1 :  1
-   3539.8418	        	        	        	        	       0	(  9  5  5)	  0  1 :  1
-   3539.8418	        	        	        	        	       0	(  9  7  1)	  0  1 :  1
-   3539.8418	        	        	        	        	       0	( 11  3  1)	  0  1 :  1
-   3581.1802	        	        	        	        	       0	(  8  8  0)	  0  1 :  1
-   3653.4082	        	        	        	        	       0	(  7  7  5)	  0  1 :  1
-   3653.4082	        	        	        	        	       0	( 11  1  1)	  0  1 :  1
-   3698.8960	        	        	        	        	       0	( 10  4  2)	  0  1 :  1
-   3762.2693	        	        	        	        	       0	(  8  6  4)	  0  1 :  1
-   3778.6270	        	        	        	        	       0	(  9  5  3)	  0  1 :  1
-   3899.4207	        	        	        	        	       0	(  6  6  6)	  0  1 :  1
-   3899.4207	        	        	        	        	       0	( 10  2  2)	  0  1 :  1
-   3917.6377	        	        	        	        	       0	(  7  7  3)	  0  1 :  1
-   3917.6377	        	        	        	        	       0	(  9  5  1)	  0  1 :  1
-   3973.8572	        	        	        	        	       0	(  8  6  2)	  0  1 :  1
-   3973.8572	        	        	        	        	       0	( 10  2  0)	  0  1 :  1
-   4073.1733	        	        	        	        	       0	(  9  3  3)	  0  1 :  1
-   4073.1738	        	        	        	        	       0	(  7  5  5)	  0  1 :  1
-   4073.1738	        	        	        	        	       0	(  7  7  1)	  0  1 :  1
-   4136.4531	        	        	        	        	       0	(  8  4  4)	  0  1 :  1
-   4248.7915	        	        	        	        	       0	(  9  3  1)	  0  1 :  1
-   4320.7437	        	        	        	        	       0	(  6  6  4)	  0  1 :  1
-   4422.6108	        	        	        	        	       0	(  8  4  2)	  0  1 :  1
-   4449.2217	        	        	        	        	       0	(  9  1  1)	  0  1 :  1
-   4449.2217	        	        	        	        	       0	(  7  5  3)	  0  1 :  1
-   4532.0259	        	        	        	        	       0	(  8  4  0)	  0  1 :  1
-   4649.9683	        	        	        	        	       0	(  6  6  2)	  0  1 :  1
-   4680.9180	        	        	        	        	       0	(  5  5  5)	  0  1 :  1
-   4680.9180	        	        	        	        	       0	(  7  5  1)	  0  1 :  1
-   4777.6064	        	        	        	        	       0	(  6  6  0)	  0  1 :  1
-   4777.6064	        	        	        	        	       0	(  8  2  2)	  0  1 :  1
-   4916.3457	        	        	        	        	       0	(  6  4  4)	  0  1 :  1
-   4952.9575	        	        	        	        	       0	(  7  3  3)	  0  1 :  1
-   5067.8960	        	        	        	        	       0	(  8  0  0)	  0  1 :  1
-   5278.5957	        	        	        	        	       0	(  5  5  3)	  0  1 :  1
-   5278.5957	        	        	        	        	       0	(  7  3  1)	  0  1 :  1
-   5418.3477	        	        	        	        	       0	(  6  4  2)	  0  1 :  1
-   5678.1133	        	        	        	        	       0	(  5  5  1)	  0  1 :  1
-   5678.1133	        	        	        	        	       0	(  7  1  1)	  0  1 :  1
-   5853.1011	        	        	        	        	       0	(  4  4  4)	  0  1 :  1
-   6113.7021	        	        	        	        	       0	(  6  2  2)	  0  1 :  1
-   6184.4702	        	        	        	        	       0	(  5  3  3)	  0  1 :  1
-   6412.4707	        	        	        	        	       0	(  6  2  0)	  0  1 :  1
-   6759.7358	        	        	        	        	       0	(  4  4  2)	  0  1 :  1
-   6855.7275	        	        	        	        	       0	(  5  3  1)	  0  1 :  1
-   7170.2222	        	        	        	        	       0	(  4  4  0)	  0  1 :  1
-   7806.5718	        	        	        	        	       0	(  3  3  3)	  0  1 :  1
-   7806.5718	        	        	        	        	       0	(  5  1  1)	  0  1 :  1
-   8280.5312	        	        	        	        	       0	(  4  2  2)	  0  1 :  1
-   9307.3125	        	        	        	        	       0	(  3  3  1)	  0  1 :  1
-  10142.9443	        	        	        	        	       0	(  4  0  0)	  0  1 :  1
-  11712.8809	        	        	        	        	       0	(  2  2  2)	  0  1 :  1
-  12233.9111	        	        	        	        	       0	(  3  1  1)	  0  1 :  1
-  14346.1758	        	        	        	        	       0	(  2  2  0)	  0  1 :  1
-  23426.7598	        	        	        	        	       0	(  1  1  1)	  0  1 :  1
+ T.O.F.	Yobs	Ycal	Yobs-Ycal	Backg	Bragg	Posr	(hkl)	K
+   2000.0000	   213.8	   219.2	 -5322.3	   185.0	   1627.8818	       0	( 18 16  6)	  0  1
+   2005.0000	   213.8	   217.3	 -5325.8	   184.9	   1627.8818	       0	( 24  6  2)	  0  1
+   2010.0000	   210.1	   216.3	 -5328.5	   184.8	   1633.2207	       0	( 16 16 10)	  0  1
+   2015.0000	   213.3	   217.3	 -5326.4	   184.7	   1633.2207	       0	( 18 12 12)	  0  1
+   2020.0000	   211.9	   217.5	 -5327.9	   184.6	   1633.2207	       0	( 20 14  4)	  0  1
+   2025.0000	   212.8	   216.6	 -5326.1	   184.6	   1633.2208	       0	( 22  8  8)	  0  1
+   2030.0000	   208.3	   217.8	 -5331.8	   184.5	   1634.5635	       0	( 19 13  9)	  0  1
+   2035.0000	   214.4	   223.3	 -5331.2	   184.4	   1634.5635	       0	( 19 15  5)	  0  1
+   2040.0000	   217.0	   223.1	 -5328.4	   184.3	   1634.5636	       0	( 21 11  7)	  0  1
+   2045.0000	   220.6	   220.9	 -5322.6	   184.2	   1634.5635	       0	( 21 13  1)	  0  1
+   2050.0000	   216.2	   216.2	 -5322.3	   184.1	   1634.5635	       0	( 23  9  1)	  0  1
+   2055.0000	   214.3	   220.2	 -5328.2	   184.0	   1638.6123	       0	( 24  4  4)	  0  1
+   2060.0000	   218.5	   217.4	 -5321.2	   183.9	   1638.6123	       0	( 20 12  8)	  0  1
+   2065.0000	   217.8	   216.6	 -5321.1	   183.9	   1645.4270	       0	( 17 17  5)	  0  1
+   2070.0000	   214.5	   215.0	 -5322.8	   183.8	   1645.4271	       0	( 19 11 11)	  0  1
+   2075.0000	   214.9	   217.3	 -5324.7	   183.7	   1645.4270	       0	( 21  9  9)	  0  1
+   2080.0000	   215.1	   218.6	 -5325.8	   183.6	   1645.4270	       0	( 23  7  5)	  0  1
+   2085.0000	   220.2	   224.3	 -5326.4	   183.5	   1649.5564	       0	( 20 10 10)	  0  1
+   2090.0000	   221.8	   217.3	 -5317.8	   183.4	   1649.5564	       0	( 20 14  2)	  0  1
+   2095.0000	   220.5	   217.6	 -5319.4	   183.3	   1649.5564	       0	( 22 10  4)	  0  1
+   2100.0000	   224.8	   224.7	 -5322.2	   183.2	   1655.1112	       0	( 16 14 12)	  0  1
+   2105.0000	   227.5	   215.8	 -5310.6	   183.1	   1655.1112	       0	( 18 16  4)	  0  1
+   2110.0000	   216.7	   213.8	 -5319.4	   183.1	   1655.1112	       0	( 24  4  2)	  0  1
+   2115.0000	   213.3	   214.1	 -5323.1	   183.0	   1656.5085	       0	( 17 15  9)	  0  1
+   2120.0000	   215.6	   218.1	 -5324.8	   182.9	   1656.5085	       0	( 19 15  3)	  0  1
+   2125.0000	   224.9	   220.1	 -5317.5	   182.8	   1660.7222	       0	( 24  4  0)	  0  1
+   2130.0000	   226.4	   227.6	 -5323.5	   182.7	   1666.3899	       0	( 14 14 14)	  0  1
+   2135.0000	   235.6	   221.3	 -5308.0	   182.6	   1666.3899	       0	( 22 10  2)	  0  1
+   2140.0000	   218.7	   214.3	 -5317.9	   182.5	   1667.8160	       0	( 17 17  3)	  0  1
+   2145.0000	   220.7	   219.1	 -5320.7	   182.4	   1667.8160	       0	( 19 15  1)	  0  1
+   2150.0000	   225.7	   217.2	 -5313.8	   182.3	   1667.8160	       0	( 21 11  5)	  0  1
+   2155.0000	   221.0	   216.5	 -5317.8	   182.3	   1667.8160	       0	( 23  7  3)	  0  1
+   2160.0000	   215.9	   214.2	 -5320.6	   182.2	   1672.1161	       0	( 18 14  8)	  0  1
+   2165.0000	   216.0	   214.1	 -5320.4	   182.1	   1672.1161	       0	( 18 16  2)	  0  1
+   2170.0000	   218.5	   221.5	 -5325.3	   182.0	   1672.1161	       0	( 22  8  6)	  0  1
+   2175.0000	   226.7	   220.6	 -5316.2	   181.9	   1672.1161	       0	( 22 10  0)	  0  1
+   2180.0000	   226.1	   231.8	 -5328.0	   181.8	   1672.1161	       0	( 24  2  2)	  0  1
+   2185.0000	   229.0	   219.8	 -5313.1	   181.7	   1677.9015	       0	( 20 12  6)	  0  1
+   2190.0000	   220.4	   213.7	 -5315.6	   181.6	   1679.3569	       0	( 23  5  5)	  0  1
+   2195.0000	   219.7	   222.8	 -5325.4	   181.5	   1679.3571	       0	( 17 13 11)	  0  1
+   2200.0000	   224.6	   220.6	 -5318.3	   181.4	   1679.3571	       0	( 17 17  1)	  0  1
+   2205.0000	   216.0	   220.0	 -5326.3	   181.3	   1679.3571	       0	( 19 13  7)	  0  1
+   2210.0000	   221.4	   216.9	 -5317.8	   181.2	   1679.3571	       0	( 23  7  1)	  0  1
+   2215.0000	   214.5	   212.4	 -5320.2	   181.2	   1683.7467	       0	( 16 16  8)	  0  1
+   2220.0000	   209.0	   215.7	 -5329.0	   181.1	   1683.7467	       0	( 24  0  0)	  0  1
+   2225.0000	   220.7	   218.2	 -5319.8	   181.0	   1691.1398	       0	( 15 15 11)	  0  1
+   2230.0000	   215.0	   217.4	 -5324.7	   180.9	   1691.1398	       0	( 21  9  7)	  0  1
+   2235.0000	   216.3	   220.5	 -5326.5	   180.8	   1691.1398	       0	( 21 11  3)	  0  1
+   2240.0000	   207.5	   212.6	 -5327.4	   180.7	   1695.6222	       0	( 18 12 10)	  0  1
+   2245.0000	   206.8	   213.3	 -5328.8	   180.6	   1701.6544	       0	( 20 10  8)	  0  1
+   2250.0000	   216.7	   221.5	 -5327.1	   180.5	   1701.6544	       0	( 22  8  4)	  0  1
+   2255.0000	   202.1	   216.2	 -5336.4	   180.4	   1703.1724	       0	( 15 13 13)	  0  1
+   2260.0000	   208.9	   216.2	 -5329.6	   180.3	   1703.1725	       0	( 17 15  7)	  0  1
+   2265.0000	   216.0	   213.8	 -5320.1	   180.2	   1703.1725	       0	( 19 11  9)	  0  1
+   2270.0000	   210.7	   211.3	 -5322.9	   180.1	   1703.1725	       0	( 21 11  1)	  0  1
+   2275.0000	   206.2	   217.5	 -5333.6	   180.0	   1703.1724	       0	( 23  5  3)	  0  1
+   2280.0000	   225.4	   228.5	 -5325.4	   179.9	   1707.7513	       0	( 20 12  4)	  0  1
+   2285.0000	   222.2	   217.0	 -5317.1	   179.9	   1713.9138	       0	( 18 14  6)	  0  1
+   2290.0000	   219.0	   223.0	 -5326.3	   179.8	   1713.9138	       0	( 22  6  6)	  0  1
+   2295.0000	   217.0	   214.5	 -5319.8	   179.7	   1715.4647	       0	( 19 13  5)	  0  1
+   2300.0000	   216.1	   210.7	 -5316.9	   179.6	   1715.4647	       0	( 23  5  1)	  0  1
+   2305.0000	   208.8	   214.7	 -5328.2	   179.5	   1720.1428	       0	( 16 14 10)	  0  1
+   2310.0000	   223.2	   219.8	 -5318.9	   179.4	   1720.1428	       0	( 22  8  2)	  0  1
+   2315.0000	   216.5	   213.3	 -5319.1	   179.3	   1726.4406	       0	( 16 16  6)	  0  1
+   2320.0000	   221.3	   216.9	 -5317.9	   179.2	   1726.4406	       0	( 20 12  2)	  0  1
+   2325.0000	   216.1	   212.3	 -5318.5	   179.1	   1728.0256	       0	( 21  9  5)	  0  1
+   2330.0000	   209.5	   210.3	 -5323.1	   179.0	   1728.0256	       0	( 23  3  3)	  0  1
+   2335.0000	   218.1	   219.2	 -5323.4	   178.9	   1732.8073	       0	( 16 12 12)	  0  1
+   2340.0000	   245.6	   240.0	 -5316.7	   178.8	   1732.8073	       0	( 20 12  0)	  0  1
+   2345.0000	   244.2	   222.1	 -5300.2	   178.7	   1740.8649	       0	( 17 13  9)	  0  1
+   2350.0000	   241.4	   243.4	 -5324.3	   178.6	   1740.8649	       0	( 17 15  5)	  0  1
+   2355.0000	   259.1	   232.6	 -5295.8	   178.5	   1740.8649	       0	( 19 13  3)	  0  1
+   2360.0000	   232.9	   210.6	 -5300.0	   178.4	   1740.8649	       0	( 23  3  1)	  0  1
+   2365.0000	   227.8	   210.9	 -5305.4	   178.3	   1740.8650	       0	( 21  7  7)	  0  1
+   2370.0000	   226.8	   223.0	 -5318.5	   178.2	   1745.7538	       0	( 14 14 12)	  0  1
+   2375.0000	   230.4	   220.0	 -5311.9	   178.1	   1745.7538	       0	( 18 14  4)	  0  1
+   2380.0000	   224.0	   214.9	 -5313.2	   178.0	   1745.7538	       0	( 20 10  6)	  0  1
+   2385.0000	   226.3	   221.8	 -5317.8	   177.9	   1745.7538	       0	( 22  6  4)	  0  1
+   2390.0000	   218.9	   211.3	 -5314.8	   177.9	   1752.3363	       0	( 18 12  8)	  0  1
+   2395.0000	   214.4	   208.7	 -5316.6	   177.8	   1753.9934	       0	( 15 15  9)	  0  1
+   2400.0000	   216.1	   212.1	 -5318.3	   177.7	   1753.9935	       0	( 17 11 11)	  0  1
+   2405.0000	   218.6	   222.6	 -5326.3	   177.6	   1753.9935	       0	( 19 11  7)	  0  1
+   2410.0000	   228.0	   214.3	 -5308.6	   177.5	   1753.9934	       0	( 19 13  1)	  0  1
+   2415.0000	   221.5	   220.2	 -5321.0	   177.4	   1753.9934	       0	( 21  9  3)	  0  1
+   2420.0000	   236.4	   225.6	 -5311.5	   177.3	   1753.9934	       0	( 23  1  1)	  0  1
+   2425.0000	   223.8	   210.3	 -5308.8	   177.2	   1758.9933	       0	( 16 16  4)	  0  1
+   2430.0000	   214.3	   208.2	 -5316.2	   177.1	   1758.9933	       0	( 20  8  8)	  0  1
+   2435.0000	   212.4	   215.2	 -5325.1	   177.0	   1765.7267	       0	( 18 10 10)	  0  1
+   2440.0000	   236.3	   234.6	 -5320.6	   176.9	   1765.7267	       0	( 18 14  2)	  0  1
+   2445.0000	   229.4	   217.8	 -5310.7	   176.8	   1765.7269	       0	( 22  6  2)	  0  1
+   2450.0000	   216.4	   219.4	 -5325.3	   176.7	   1767.4220	       0	( 17 15  3)	  0  1
+   2455.0000	   236.0	   228.5	 -5314.8	   176.6	   1767.4220	       0	( 19  9  9)	  0  1
+   2460.0000	   228.8	   210.9	 -5304.4	   176.5	   1767.4220	       0	( 21  9  1)	  0  1
+   2465.0000	   220.3	   207.3	 -5309.3	   176.4	   1772.5375	       0	( 18 14  0)	  0  1
+   2470.0000	   215.2	   208.7	 -5315.8	   176.3	   1772.5376	       0	( 22  6  0)	  0  1
+   2475.0000	   215.3	   217.5	 -5324.5	   176.2	   1779.4272	       0	( 16 14  8)	  0  1
+   2480.0000	   221.5	   214.8	 -5315.6	   176.1	   1779.4272	       0	( 16 16  2)	  0  1
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+  29115.0000	   179.0	   195.5	 -5338.8	   164.8
+  29120.0000	   143.3	   195.5	 -5374.5	   164.8
+  29125.0000	   197.3	   195.6	 -5320.6	   164.8
+  29130.0000	   197.4	   195.6	 -5320.5	   164.8
+  29135.0000	   287.4	   195.6	 -5230.5	   164.8
+  29140.0000	   143.8	   195.6	 -5374.1	   164.9
+  29145.0000	   197.9	   195.6	 -5320.0	   164.9
+  29150.0000	   180.1	   195.7	 -5337.9	   164.9
+  29155.0000	   180.3	   195.7	 -5337.7	   164.9
+  29160.0000	   198.4	   195.7	 -5319.6	   164.9
+  29165.0000	   234.7	   195.7	 -5283.3	   165.0
+  29170.0000	   108.4	   195.7	 -5409.6	   165.0
+  29175.0000	    90.4	   195.8	 -5427.7	   165.0
+  29180.0000	   253.4	   195.8	 -5264.7	   165.0
+  29185.0000	    90.6	   195.8	 -5427.5	   165.0
+  29190.0000	   163.2	   195.8	 -5354.9	   165.1
+  29195.0000	   163.3	   195.8	 -5354.8	   165.1
+  29200.0000	   181.7	   195.9	 -5336.5	   165.1
+  29205.0000	   218.2	   195.9	 -5300.0	   165.1
+  29210.0000	   272.9	   195.9	 -5245.3	   165.1
+  29215.0000	   182.1	   195.9	 -5336.1	   165.2
+  29220.0000	   200.5	   195.9	 -5317.7	   165.2
+  29225.0000	   182.4	   195.9	 -5335.8	   165.2
+  29230.0000	   182.6	   196.0	 -5335.7	   165.2
+  29235.0000	   182.7	   196.0	 -5335.6	   165.2
+  29240.0000	   256.0	   196.0	 -5262.3	   165.2
+  29245.0000	   219.7	   196.0	 -5298.6	   165.3
+  29250.0000	   146.6	   196.0	 -5371.7	   165.3
+  29255.0000	   201.7	   196.1	 -5316.7	   165.3
+  29260.0000	   238.6	   196.1	 -5279.8	   165.3
+  29265.0000	   238.8	   196.1	 -5279.6	   165.3
+  29270.0000	   183.8	   196.1	 -5334.6	   165.4
+  29275.0000	   165.6	   196.1	 -5352.8	   165.4
+  29280.0000	   368.3	   196.1	 -5150.1	   165.4
+  29285.0000	   147.4	   196.2	 -5371.1	   165.4
+  29290.0000	   221.4	   196.2	 -5297.1	   165.4
+  29295.0000	   110.8	   196.2	 -5407.7	   165.4
+  29300.0000	   129.3	   196.2	 -5389.2	   165.5
+  29305.0000	    92.5	   196.2	 -5426.0	   165.5
+  29310.0000	   240.6	   196.2	 -5277.9	   165.5
+  29315.0000	   203.8	   196.3	 -5314.8	   165.5
+  29320.0000	   148.3	   196.3	 -5370.3	   165.5
+  29325.0000	   241.2	   196.3	 -5277.4	   165.5
+  29330.0000	   111.4	   196.3	 -5407.2	   165.6
+  29335.0000	   241.7	   196.3	 -5276.9	   165.6
+  29340.0000	    74.4	   196.3	 -5444.2	   165.6
+  29345.0000	   186.2	   196.4	 -5332.5	   165.6
+  29350.0000	   186.4	   196.4	 -5332.3	   165.6
+  29355.0000	   242.5	   196.4	 -5276.2	   165.6
+  29360.0000	   317.4	   196.4	 -5201.3	   165.6
+  29365.0000	   373.7	   196.4	 -5145.0	   165.7
+  29370.0000	   149.6	   196.4	 -5369.1	   165.7
+  29375.0000	   149.7	   196.4	 -5369.0	   165.7
+  29380.0000	    93.7	   196.5	 -5425.1	   165.7
+  29385.0000	   262.5	   196.5	 -5256.3	   165.7
+  29390.0000	   168.9	   196.5	 -5349.9	   165.7
+  29395.0000	   431.9	   196.5	 -5086.9	   165.7
+  29400.0000	   206.8	   196.5	 -5312.0	   165.8
+  29405.0000	   188.1	   196.5	 -5330.7	   165.8
+  29410.0000	   207.1	   196.5	 -5311.7	   165.8
+  29415.0000	   245.0	   196.6	 -5273.9	   165.8
+  29420.0000	   245.2	   196.6	 -5273.7	   165.8
+  29425.0000	   169.9	   196.6	 -5349.0	   165.8
+  29430.0000	   151.1	   196.6	 -5367.8	   165.8
+  29435.0000	   113.4	   196.6	 -5405.5	   165.9
+  29440.0000	   208.2	   196.6	 -5310.7	   165.9
+  29445.0000	   265.1	   196.6	 -5253.8	   165.9
+  29450.0000	   227.5	   196.7	 -5291.5	   165.9
+  29455.0000	   284.6	   196.7	 -5234.4	   165.9
+  29460.0000	   227.9	   196.7	 -5291.1	   165.9
+  29465.0000	   171.0	   196.7	 -5348.0	   165.9
+  29470.0000	   342.4	   196.7	 -5176.6	   166.0
+  29475.0000	   323.6	   196.7	 -5195.4	   166.0
+  29480.0000	   209.6	   196.7	 -5309.4	   166.0
+  29485.0000	   114.4	   196.7	 -5404.6	   166.0
+  29490.0000	   229.0	   196.8	 -5290.1	   166.0
+  29495.0000	   267.4	   196.8	 -5251.7	   166.0
+  29500.0000	   229.4	   196.8	 -5289.7	   166.0
+  29505.0000	   248.7	   196.8	 -5270.4	   166.0
+  29510.0000	   248.9	   196.8	 -5270.2	   166.0
+  29515.0000	   115.0	   196.8	 -5404.1	   166.1
+  29520.0000	   306.9	   196.8	 -5212.2	   166.1
+  29525.0000	   211.2	   196.8	 -5307.9	   166.1
+  29530.0000	   211.4	   196.8	 -5307.7	   166.1
+  29535.0000	   192.3	   196.9	 -5326.9	   166.1
+  29540.0000	   231.0	   196.9	 -5288.2	   166.1
+  29545.0000	   115.6	   196.9	 -5403.6	   166.1
+  29550.0000	   289.2	   196.9	 -5230.0	   166.1
+  29555.0000	   173.7	   196.9	 -5345.5	   166.1
+  29560.0000	   212.4	   196.9	 -5306.8	   166.2
+  29565.0000	   251.3	   196.9	 -5267.9	   166.2
+  29570.0000	   232.1	   196.9	 -5287.1	   166.2
+  29575.0000	   193.6	   196.9	 -5325.6	   166.2
+  29580.0000	   290.7	   197.0	 -5228.6	   166.2
+  29585.0000	   155.2	   197.0	 -5364.1	   166.2
+  29590.0000	    77.6	   197.0	 -5441.7	   166.2
+  29595.0000	   252.6	   197.0	 -5266.7	   166.2
+  29600.0000	   272.2	   197.0	 -5247.1	   166.2
+  29605.0000	   291.9	   197.0	 -5227.4	   166.2
+  29610.0000	   292.1	   197.0	 -5227.2	   166.3
+  29615.0000	   292.4	   197.0	 -5226.9	   166.3
+  29620.0000	   253.6	   197.0	 -5265.7	   166.3
+  29625.0000	   312.4	   197.0	 -5206.9	   166.3
+  29630.0000	   371.3	   197.0	 -5148.1	   166.3
+  29635.0000	   136.9	   197.1	 -5382.5	   166.3
+  29640.0000	   371.9	   197.1	 -5147.5	   166.3
+  29645.0000	   137.1	   197.1	 -5382.3	   166.3
+  29650.0000	   176.5	   197.1	 -5342.9	   166.3
+  29655.0000	   235.5	   197.1	 -5283.9	   166.3
+  29660.0000	   255.3	   197.1	 -5264.1	   166.3
+  29665.0000	   118.0	   197.1	 -5401.4	   166.4
+  29670.0000	   295.1	   197.1	 -5224.3	   166.4
+  29675.0000	   216.6	   197.1	 -5302.8	   166.4
+  29680.0000	   118.2	   197.1	 -5401.2	   166.4
+  29685.0000	   118.3	   197.1	 -5401.1	   166.4
+  29690.0000	   177.7	   197.1	 -5341.7	   166.4
+  29695.0000	   197.6	   197.2	 -5321.9	   166.4
+  29700.0000	   138.4	   197.2	 -5381.1	   166.4
+  29705.0000	   237.5	   197.2	 -5282.0	   166.4
+  29710.0000	   237.7	   197.2	 -5281.8	   166.4
+  29715.0000	   257.7	   197.2	 -5261.8	   166.4
+  29720.0000	   238.1	   197.2	 -5281.4	   166.4
+  29725.0000	   337.6	   197.2	 -5181.9	   166.4
+  29730.0000	   298.1	   197.2	 -5221.4	   166.4
+  29735.0000	   278.5	   197.2	 -5241.0	   166.5
+  29740.0000	   298.6	   197.2	 -5220.9	   166.5
+  29745.0000	   278.9	   197.2	 -5240.6	   166.5
+  29750.0000	   239.3	   197.2	 -5280.2	   166.5
+  29755.0000	   219.5	   197.2	 -5300.0	   166.5
+  29760.0000	   219.7	   197.2	 -5299.8	   166.5
+  29765.0000	   219.9	   197.2	 -5299.6	   166.5
+  29770.0000	   220.1	   197.2	 -5299.5	   166.5
+  29775.0000	   260.3	   197.3	 -5259.3	   166.5
+  29780.0000	   220.5	   197.3	 -5299.1	   166.5
+  29785.0000	   180.5	   197.3	 -5339.1	   166.5
+  29790.0000	   200.8	   197.3	 -5318.8	   166.5
+  29795.0000	   241.1	   197.3	 -5278.5	   166.5
+  29800.0000	   160.9	   197.3	 -5358.7	   166.5
+  29805.0000	   221.4	   197.3	 -5298.2	   166.5
+  29810.0000	   282.0	   197.3	 -5237.6	   166.5
+  29815.0000	   221.8	   197.3	 -5297.8	   166.5
+  29820.0000	   221.9	   197.3	 -5297.7	   166.5
+  29825.0000	   302.9	   197.3	 -5216.7	   166.5
+  29830.0000	   283.0	   197.3	 -5236.6	   166.6
+  29835.0000	   202.3	   197.3	 -5317.3	   166.6
+  29840.0000	   242.9	   197.3	 -5276.7	   166.6
+  29845.0000	   182.4	   197.3	 -5337.2	   166.6
+  29850.0000	   162.2	   197.3	 -5357.4	   166.6
+  29855.0000	   203.0	   197.3	 -5316.6	   166.6
+  29860.0000	   101.6	   197.3	 -5418.0	   166.6
+  29865.0000	   162.6	   197.3	 -5357.0	   166.6
+  29870.0000	   305.2	   197.3	 -5214.4	   166.6
+  29875.0000	   305.5	   197.3	 -5214.1	   166.6
+  29880.0000	   265.0	   197.3	 -5254.6	   166.6
+  29885.0000	   122.4	   197.3	 -5397.2	   166.6
+  29890.0000	    81.7	   197.3	 -5437.9	   166.6
+  29895.0000	   306.5	   197.3	 -5213.1	   166.6
+  29900.0000	   245.4	   197.4	 -5274.3	   166.6
+  29905.0000	   307.0	   197.4	 -5212.7	   166.6
+  29910.0000	   286.8	   197.4	 -5232.9	   166.6
+  29915.0000	   164.0	   197.4	 -5355.7	   166.6
+  29920.0000	   184.7	   197.4	 -5335.0	   166.6
+  29925.0000	   225.9	   197.4	 -5293.8	   166.6
+  29930.0000	   185.0	   197.4	 -5334.7	   166.6
+  29935.0000	   288.0	   197.4	 -5231.7	   166.6
+  29940.0000	   205.9	   197.4	 -5313.8	   166.6
+  29945.0000	   185.4	   197.4	 -5334.3	   166.6
+  29950.0000	   247.5	   197.4	 -5272.2	   166.6
+  29955.0000	   206.4	   197.4	 -5313.3	   166.6
+  29960.0000	   247.9	   197.4	 -5271.8	   166.6
+  29965.0000	   227.4	   197.4	 -5292.3	   166.6
+  29970.0000	   165.5	   197.4	 -5354.2	   166.6
+  29975.0000	   186.4	   197.4	 -5333.3	   166.6
+  29980.0000	   269.4	   197.4	 -5250.3	   166.6
+  29985.0000	   186.7	   197.4	 -5333.0	   166.6
+  29990.0000	   166.1	   197.4	 -5353.6	   166.6
+  29995.0000	   249.3	   197.4	 -5270.4	   166.6
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.rpa b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.rpa
index 2b546c2fa..7a558864c 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.rpa
+++ b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.rpa
@@ -1976,3 +1976,258 @@ RFBC   10.13      11.22      5.342      4.413        3108
 DEVB  0.1299E+05  4.173      1.200      1.899    
 BRAG1    2.037   13.946     160.314     100.000  129420.289       1.000
 --------------------------------------------------------------------------------
+TITL   Backscattering Bank (2theta= 144.845)  Si- Argonne
+FILES => PCR-file : arg_si
+FILES => DAT-files: arg_si                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          
+DATE & TIME     Date: 09/06/2026  Time: 00:23:32.018                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1    -1       9       4       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       1       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0     3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   12     1     1     1     2     0     0
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     0
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    3    12     1     2     0
+PHAS1 Standard-Si                   
+SPGR F d -3 m            
+NATM    1
+COND    0   0   0   0
+ATOM Si       0.12500   0.12500   0.12500   0.54095   1.00000  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00478   0.00000
+CELL    5.43238   5.43238   5.43238  90.00000  90.00000  90.00000
+SIGM    0.00008   0.00008   0.00008   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    0.662019908   0.002023716
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0000   0.0000  29.6399   0.9963   5.0792   0.4873
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0380   0.0002   0.2354   0.0052   0.0109   0.0002
+XYPA    0.0000   0.0000   0.0000   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -8.57212   0.08881
+BACK    154.3       1.340       37.00       12.33       17.71       4.785    
+SIGM   0.6690       1.175       1.029      0.9464      0.9215      0.7659    
+BACK    6.808       0.000       0.000       0.000       0.000       0.000    
+SIGM   0.5315       0.000       0.000       0.000       0.000       0.000    
+RFAR   8.731      6.363      3.657      3.028    
+RFAC   20.07      12.44      7.150      3.028        5584
+DEVA  0.3218E+05  5.757     0.9736      1.923    
+RFBR   5.933      5.825      2.773      4.413    
+RFBC   10.13      11.22      5.342      4.413        3108
+DEVB  0.1298E+05  4.173      1.200      1.899    
+BRAG1    2.037   13.946     160.314     100.000  129420.289       1.000
+--------------------------------------------------------------------------------
+TITL   Backscattering Bank (2theta= 144.845)  Si- Argonne
+FILES => PCR-file : arg_si
+FILES => DAT-files: arg_si                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          
+DATE & TIME     Date: 09/06/2026  Time: 00:25:31.364                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1    -1       9       4       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       1       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0    -3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   12     1     1     1     2     0     0
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     0
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3   -3    12     1     2     0
+PHAS1 Standard-Si                   
+SPGR F d -3 m            
+NATM    1
+COND    0   0   0   0
+ATOM Si       0.12500   0.12500   0.12500   0.54095   1.00000  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00478   0.00000
+CELL    5.43238   5.43238   5.43238  90.00000  90.00000  90.00000
+SIGM    0.00008   0.00008   0.00008   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    0.662019908   0.002023716
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0000   0.0000  29.6399   0.9963   5.0792   0.4873
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0380   0.0002   0.2354   0.0052   0.0109   0.0002
+XYPA    0.0000   0.0000   0.0000   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -8.57212   0.08881
+BACK    154.3       1.340       37.00       12.33       17.71       4.785    
+SIGM   0.6690       1.175       1.029      0.9464      0.9215      0.7659    
+BACK    6.808       0.000       0.000       0.000       0.000       0.000    
+SIGM   0.5315       0.000       0.000       0.000       0.000       0.000    
+RFAR   8.731      6.363      3.657      3.028    
+RFAC   20.07      12.44      7.150      3.028        5584
+DEVA  0.3218E+05  5.757     0.9736      1.923    
+RFBR   5.933      5.825      2.773      4.413    
+RFBC   10.13      11.22      5.342      4.413        3108
+DEVB  0.1298E+05  4.173      1.200      1.899    
+BRAG1    2.037   13.946     160.314     100.000  129420.289       1.000
+--------------------------------------------------------------------------------
+TITL   Backscattering Bank (2theta= 144.845)  Si- Argonne
+FILES => PCR-file : arg_si
+FILES => DAT-files: arg_si                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          
+DATE & TIME     Date: 09/06/2026  Time: 00:26:07.824                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1    -1       9       4       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       1       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0    -3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   12     1     1     1     2     0     0
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     0
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3   -3    12     1     2     0
+PHAS1 Standard-Si                   
+SPGR F d -3 m            
+NATM    1
+COND    0   0   0   0
+ATOM Si       0.12500   0.12500   0.12500   0.54095   1.00000  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00478   0.00000
+CELL    5.43238   5.43238   5.43238  90.00000  90.00000  90.00000
+SIGM    0.00008   0.00008   0.00008   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    0.662019908   0.002023716
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0000   0.0000  29.6399   0.9963   5.0792   0.4873
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0380   0.0002   0.2354   0.0052   0.0109   0.0002
+XYPA    0.0000   0.0000   0.0000   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -8.57212   0.08881
+BACK    154.3       1.340       37.00       12.33       17.71       4.785    
+SIGM   0.6690       1.175       1.029      0.9464      0.9215      0.7659    
+BACK    6.808       0.000       0.000       0.000       0.000       0.000    
+SIGM   0.5315       0.000       0.000       0.000       0.000       0.000    
+RFAR   8.731      6.363      3.657      3.028    
+RFAC   20.07      12.44      7.150      3.028        5584
+DEVA  0.3218E+05  5.757     0.9736      1.923    
+RFBR   5.933      5.825      2.773      4.413    
+RFBC   10.13      11.22      5.342      4.413        3108
+DEVB  0.1298E+05  4.173      1.200      1.899    
+BRAG1    2.037   13.946     160.314     100.000  129420.289       1.000
+--------------------------------------------------------------------------------
+TITL   Backscattering Bank (2theta= 144.845)  Si- Argonne
+FILES => PCR-file : arg_si
+FILES => DAT-files: arg_si                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          
+DATE & TIME     Date: 09/06/2026  Time: 12:34:10.808                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1    -1       9       4       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       1       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0    -3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   12     1     1     1     2     0     0
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     0
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3   -3    12     1     2     0
+PHAS1 Standard-Si                   
+SPGR F d -3 m            
+NATM    1
+COND    0   0   0   0
+ATOM Si       0.12500   0.12500   0.12500   0.54095   1.00000  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+CELL    5.43238   5.43238   5.43238  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    0.662005842   0.001338106
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0000   0.0000  29.6492   0.0000   5.0790   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0380   0.0000   0.2354   0.0000   0.0109   0.0000
+XYPA    0.0000   0.0000   0.0000   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -8.56733   0.02800
+BACK    154.3       1.340       37.00       12.33       17.71       4.785    
+SIGM    0.000       0.000       0.000       0.000       0.000       0.000    
+BACK    6.808       0.000       0.000       0.000       0.000       0.000    
+SIGM    0.000       0.000       0.000       0.000       0.000       0.000    
+RFAR   8.729      6.363      3.661      3.020    
+RFAC   20.07      12.44      7.159      3.020        5598
+DEVA  0.3218E+05  5.742     0.9734      1.918    
+RFBR   5.930      5.825      2.779      4.393    
+RFBC   10.12      11.22      5.354      4.393        3122
+DEVB  0.1298E+05  4.155      1.200      1.890    
+BRAG1    2.037   13.945     160.314     100.000  129420.289       1.000
+--------------------------------------------------------------------------------
+TITL   Backscattering Bank (2theta= 144.845)  Si- Argonne
+FILES => PCR-file : arg_si
+FILES => DAT-files: arg_si                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          
+DATE & TIME     Date: 09/06/2026  Time: 12:42:03.584                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1    -1       9       4       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       1       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0    -3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   12     1     1     1     2     0     0
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     0
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3   -3    12     1     2     0
+PHAS1 Standard-Si                   
+SPGR F d -3 m            
+NATM    1
+COND    0   0   0   0
+ATOM Si       0.12500   0.12500   0.12500   0.54095   1.00000  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+CELL    5.43238   5.43238   5.43238  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    0.662005782   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0000   0.0000  29.6492   0.0000   5.0790   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0380   0.0000   0.2354   0.0000   0.0109   0.0000
+XYPA    0.0000   0.0000   0.0000   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -8.56733   0.00000
+BACK    154.3       1.340       37.00       12.33       17.71       4.785    
+SIGM    0.000       0.000       0.000       0.000       0.000       0.000    
+BACK    6.808       0.000       0.000       0.000       0.000       0.000    
+SIGM    0.000       0.000       0.000       0.000       0.000       0.000    
+RFAR   8.727      6.363      3.662      3.019    
+RFAC   20.07      12.44      7.161      3.019        5600
+DEVA  0.3218E+05  5.740     0.9734      1.917    
+RFBR   5.928      5.826      2.780      4.391    
+RFBC   10.12      11.22      5.356      4.391        3124
+DEVB  0.1298E+05  4.152      1.200      1.889    
+BRAG1    2.038   13.945     160.314     100.000  129420.289       1.000
+--------------------------------------------------------------------------------
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.sum b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.sum
index e5dad4f69..1c34c2420 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.sum
+++ b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.sum
@@ -1,17 +1,17 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 08/06/2026  Time: 14:28:36.829                              
+    Date: 09/06/2026  Time: 12:42:03.584                              
 
  => PCR file code: arg_si
- => DAT file code: arg_si.dat           -> Relative contribution: 1.0000                                                            
+ => DAT file code: arg_si               -> Relative contribution: 1.0000                                                            
  => Title:  Backscattering Bank (2theta= 144.845)  Si- Argonne
 
  ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
@@ -30,12 +30,12 @@
  =>-------> Pattern#  1
  => Crystal Structure Refinement for phase: 1
  => The density (volumic mass) of phase 1 is:    2.327 g/cm3
- => Scor: 2.6190
+ => Scor: 2.6189
 
  ==> RESULTS OF REFINEMENT:
 
 
- => No. of fitted parameters:   16
+ => No. of fitted parameters:    0
 
 
 ------------------------------------------------------------------------------
@@ -48,26 +48,26 @@
  ==> ATOM PARAMETERS:
 
   Name      x     sx       y     sy       z      sz      B   sB   occ. socc.  Mult
- Si      0.12500(   0)  0.12500(   0)  0.12500(   0)  0.541(  4)  1.000(  0)    8
+ Si      0.12500(   0)  0.12500(   0)  0.12500(   0)  0.541(  0)  1.000(  0)    8
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
  => Cell parameters      :
-                              5.43238   0.00008
-                              5.43238   0.00008
-                              5.43238   0.00008
+                              5.43238   0.00000
+                              5.43238   0.00000
+                              5.43238   0.00000
                              90.00000   0.00000
                              90.00000   0.00000
                              90.00000   0.00000
  
 
- => Overall scale factor       :      0.662020028     0.002023762
+ => Overall scale factor       :      0.662005782     0.000000000
  => T.O.F. Extinction parameter:     0.000000    0.000000
  => Overall temperature  factor:     0.000000    0.000000
  => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
          0.000000    0.000000
-        29.639063    0.996316
-         5.079278    0.487290
+        29.649200    0.000000
+         5.079000    0.000000
 
  => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000
  => T.O.F. Isotropic Gaussian Strain parameter (G-strain):      0.00000     0.00000
@@ -83,9 +83,9 @@
          0.000000    0.000000
 
  => Direct cell parameters: 
-        5.432381    0.000083
-        5.432381    0.000083
-        5.432381    0.000083
+        5.432382    0.000000
+        5.432382    0.000000
+        5.432382    0.000000
        90.000000    0.000000
        90.000000    0.000000
        90.000000    0.000000
@@ -95,30 +95,30 @@
          0.000000    0.000000
 
  => T.O.F. Peak shape parameter alpha0,beta0,beta1,alphaQ,betaQ: 
-        0.000000    0.000000    0.038017
-        0.000211    0.235368    0.005179
-        0.010903    0.000206    0.000000
+        0.000000    0.000000    0.038020
+        0.000000    0.235422    0.000000
+        0.010902    0.000000    0.000000
         0.000000    0.000000    0.000000
 
 
  => Absorption parameters: 
-                              0.00000   0.00000
-                              0.00000   0.00000
+                              0.00000       0.00000    
+                              0.00000       0.00000    
 
 
 
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:    -8.5721    0.0888
+ => Zero-point:    -8.5673    0.0000
  => Cosine Fourier Background Parameters ==>
-                               154.32     0.66899    
-                               1.3401      1.1746    
-                               37.000      1.0290    
-                               12.332     0.94643    
-                               17.706     0.92149    
-                               4.7849     0.76595    
-                               6.8079     0.53147    
+                               154.32      0.0000    
+                               1.3400      0.0000    
+                               37.000      0.0000    
+                               12.332      0.0000    
+                               17.706      0.0000    
+                               4.7850      0.0000    
+                               6.8080      0.0000    
                                0.0000      0.0000    
                                0.0000      0.0000    
                                0.0000      0.0000    
@@ -138,39 +138,39 @@
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
-  => Cycle: 13 => MaxCycle: 50
- => N-P+C:  5584
+  => Cycle:  1 => MaxCycle: 50
+ => N-P+C:  5600
  =>  R-factors (not corrected for background) for Pattern:  1
- => Rp:  8.73     Rwp:  6.36     Rexp:    3.66 Chi2:  3.03      L.S. refinement
+ => Rp:  8.73     Rwp:  6.36     Rexp:    3.66 Chi2:  3.02      L.S. refinement
  => Conventional Rietveld R-factors for Pattern:  1
- => Rp:  20.1     Rwp:  12.4     Rexp:    7.15 Chi2:  3.03    
- => Deviance:  0.322E+05     Dev*  :   5.757    
- => DW-Stat.:    0.9736     DW-exp:     1.9228
- => N-sigma of the GoF:      107.162
+ => Rp:  20.1     Rwp:  12.4     Rexp:    7.16 Chi2:  3.02    
+ => Deviance:  0.322E+05     Dev*  :   5.740    
+ => DW-Stat.:    0.9734     DW-exp:     1.9171
+ => N-sigma of the GoF:      106.860
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => N-P+C:  3108
+ => N-P+C:  3124
  =>  R-factors (not corrected for background) for Pattern:  1
- => Rp:  5.93     Rwp:  5.83     Rexp:    2.77 Chi2:  4.41      L.S. refinement
+ => Rp:  5.93     Rwp:  5.83     Rexp:    2.78 Chi2:  4.39      L.S. refinement
  => Conventional Rietveld R-factors for Pattern:  1
- => Rp:  10.1     Rwp:  11.2     Rexp:    5.34 Chi2:  4.41    
- => Deviance:  0.130E+05     Dev*  :   4.173    
- => DW-Stat.:    1.2001     DW-exp:     1.8991
- => N-sigma of the GoF:      134.554
+ => Rp:  10.1     Rwp:  11.2     Rexp:    5.36 Chi2:  4.39    
+ => Deviance:  0.130E+05     Dev*  :   4.152    
+ => DW-Stat.:    1.2000     DW-exp:     1.8888
+ => N-sigma of the GoF:      134.008
 
- => Global user-weigthed Chi2 (Bragg contrib.):   5.44    
+ => Global user-weigthed Chi2 (Bragg contrib.):   5.41    
 
      -----------------------------------------------------
      BRAGG R-Factors and weight fractions for Pattern #  1
      -----------------------------------------------------
 
  => Phase:  1     Standard-Si
- => Bragg R-factor:   2.04       Vol:  160.314( 0.004)  Fract(%):  100.00( 0.43)
+ => Bragg R-factor:   2.04       Vol:  160.314( 0.000)  Fract(%):  100.00( 0.00)
  => Rf-factor=  13.9             ATZ:      129420.289   Brindley:  1.0000
 
  
-              CPU Time:     2.072 seconds
-                            0.035 minutes
+              CPU Time:     0.258 seconds
+                            0.004 minutes
 
- => Run finished at:     Date: 08/06/2026  Time: 14:28:38.919                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:03.842                              
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.sym b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.sym
index 9e3e6a8ac..cd833abff 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.sym
+++ b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si.sym
@@ -304,29 +304,29 @@
 
   -> Information on Atom: Si     at position:    0.12500   0.12500   0.12500  Multiplicity:   8
      List of symmetry operators and symmetry elements of the site point group:
-     Operator  2:  x,-y+1/4,-z+1/4               2 x,1/8,1/8
-     Operator  3:  -x+1/4,y,-z+1/4               2 1/8,y,1/8
-     Operator  4:  -x+1/4,-y+1/4,z               2 1/8,1/8,z
-     Operator  5:  y,z,x                         3- x,x,x  
-     Operator  6:  -y+1/4,-z+1/4,x               3+ x,-x+1/4,x
-     Operator  7:  y,-z+1/4,-x+1/4               3+ x,x,-x+1/4
-     Operator  8:  -y+1/4,z,-x+1/4               3- x,-x+1/4,-x+1/4
-     Operator  9:  z,x,y                         3+ x,x,x  
-     Operator 10:  -z+1/4,x,-y+1/4               3- x,x,-x+1/4
-     Operator 11:  -z+1/4,-x+1/4,y               3+ x,-x+1/4,-x+1/4
-     Operator 12:  z,-x+1/4,-y+1/4               3- x,-x+1/4,x
-     Operator 13:  y,x,z                         m x,x,z   
-     Operator 14:  -y+1/4,x,-z+1/4               -4- 1/8,1/8,z; 1/8,1/8,1/8
-     Operator 15:  y,-x+1/4,-z+1/4               -4+ 1/8,1/8,z; 1/8,1/8,1/8
-     Operator 16:  -y+1/4,-x+1/4,z               m x,-x+1/4,z
-     Operator 17:  z,y,x                         m x,y,x   
-     Operator 18:  -z+1/4,-y+1/4,x               -4+ 1/8,y,1/8; 1/8,1/8,1/8
-     Operator 19:  -z+1/4,y,-x+1/4               m x,y,-x+1/4
-     Operator 20:  z,-y+1/4,-x+1/4               -4- 1/8,y,1/8; 1/8,1/8,1/8
-     Operator 21:  x,z,y                         m x,y,y   
-     Operator 22:  x,-z+1/4,-y+1/4               m x,y,-y+1/4
-     Operator 23:  -x+1/4,-z+1/4,y               -4- x,1/8,1/8; 1/8,1/8,1/8
-     Operator 24:  -x+1/4,z,-y+1/4               -4+ x,1/8,1/8; 1/8,1/8,1/8
+     Operator  2:  x,-y+1/4,-z+1/4               2 x,1/8,1/8                                       
+     Operator  3:  -x+1/4,y,-z+1/4               2 1/8,y,1/8                                       
+     Operator  4:  -x+1/4,-y+1/4,z               2 1/8,1/8,z                                       
+     Operator  5:  y,z,x                         3- x,x,x                                          
+     Operator  6:  -y+1/4,-z+1/4,x               3+ x,-x+1/4,x                                     
+     Operator  7:  y,-z+1/4,-x+1/4               3+ x,x,-x+1/4                                     
+     Operator  8:  -y+1/4,z,-x+1/4               3- x,-x+1/4,-x+1/4                                
+     Operator  9:  z,x,y                         3+ x,x,x                                          
+     Operator 10:  -z+1/4,x,-y+1/4               3- x,x,-x+1/4                                     
+     Operator 11:  -z+1/4,-x+1/4,y               3+ x,-x+1/4,-x+1/4                                
+     Operator 12:  z,-x+1/4,-y+1/4               3- x,-x+1/4,x                                     
+     Operator 13:  y,x,z                         m x,x,z                                           
+     Operator 14:  -y+1/4,x,-z+1/4               -4- 1/8,1/8,z; 1/8,1/8,1/8                        
+     Operator 15:  y,-x+1/4,-z+1/4               -4+ 1/8,1/8,z; 1/8,1/8,1/8                        
+     Operator 16:  -y+1/4,-x+1/4,z               m x,-x+1/4,z                                      
+     Operator 17:  z,y,x                         m x,y,x                                           
+     Operator 18:  -z+1/4,-y+1/4,x               -4+ 1/8,y,1/8; 1/8,1/8,1/8                        
+     Operator 19:  -z+1/4,y,-x+1/4               m x,y,-x+1/4                                      
+     Operator 20:  z,-y+1/4,-x+1/4               -4- 1/8,y,1/8; 1/8,1/8,1/8                        
+     Operator 21:  x,z,y                         m x,y,y                                           
+     Operator 22:  x,-z+1/4,-y+1/4               m x,y,-y+1/4                                      
+     Operator 23:  -x+1/4,-z+1/4,y               -4- x,1/8,1/8; 1/8,1/8,1/8                        
+     Operator 24:  -x+1/4,z,-y+1/4               -4+ x,1/8,1/8; 1/8,1/8,1/8                        
      Codes for atom coordinates  (Automatic Constraints):        0.00        0.00        0.00
      Codes for anisotropic betas (Automatic Constraints):        0.00        0.00        0.00        0.00        0.00        0.00
 
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si1.fst b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si1.fst
index 9b1c3c950..6d7e7a69b 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si1.fst
+++ b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si1.fst
@@ -1,7 +1,7 @@
 !   FILE for FullProf Studio: generated automatically by FullProf 
 !Title: Standard-Si                                                                                                                                                         
 SPACEG F d -3 m            
-CELL     5.432381    5.432381    5.432381  90.0000  90.0000  90.0000   multiple 
+CELL     5.432382    5.432382    5.432382  90.0000  90.0000  90.0000   multiple 
 box -1.15 1.15 -1.15 1.15 -0.15 1.15                                 
 ATOM Si      Si       0.12500   0.12500   0.12500   color  0.00 1.00 0.00 1.00
 conn Si Si 0 2.5                                                  
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si1.sub b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si1.sub
index b8004d24e..781fb00d1 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si1.sub
+++ b/docs/docs/verification/fullprof/pd-neut-tof_j_si/arg_si1.sub
@@ -1,4 +1,4 @@
- 2008.5720  5.00000030003.5723   ! Phase No:   1 Standard-Si                   
+ 2008.5674  5.00000030003.5664   ! Phase No:   1 Standard-Si                   
        3       2       1       2       2       1       3       8       8       6
        1       5       3       2       0       3       4      10       3       4
       11       2       0       0       4       7      14       8       1       6
@@ -23,71 +23,71 @@
       38      48      14       2       0       0       0       2      23     114
      122      33       5       6      50     121      64      12       2       0
        0       0       0       5      25      30       9       2       1      12
-      55      60      19       3       1       0       0       0       1      14
-      90     150      65      14       3       9      77     230     167      45
+      55      61      19       3       1       0       0       0       1      14
+      90     150      65      14       3       9      77     230     168      45
        9       2       0       0       0       0       3      27      93      80
-      25       5       1       4      35     108      88      27       6       1
-       0       0       0       0       0       5      41     137     124      43
+      25       5       1       4      34     108      88      27       6       1
+       0       0       0       0       0       5      41     136     124      43
       11       3       2      19     115     215     121      36       9       2
        1       0       0       0       0       2      18     126     291     202
       68      19       5       2       3      18      56      53      21       6
        2       1       0       0       0       0       0       0       2      17
-      85     137      78      27       9       3       1       3      30     161
+      85     137      78      27       9       3       1       3      30     160
      292     185      69      23       8       3       1       0       0       0
-       0       0       0       2      19      94     161     102      40      14
+       0       0       0       2      19      94     161     102      40      15
        5       2       1       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
        1       7      52     201     279     166      70      28      11       5
-       2       2       9      73     337     600     431     197      83      35
+       2       2       9      72     336     600     431     197      83      35
       15       6       3       1       0       0       0       0       0       0
-       0       1       7      54     215     334     228     108      48      22
-      10       4       2       1       2      12      69     198     225     132
+       0       1       7      54     214     334     228     108      49      22
+      10       4       2       1       2      11      69     198     225     132
       63      29      14       6       3       1       1       0       0       0
        0       0       0       0       0       0       1       5      37     151
      262     206     109      54      27      13       6       3       2       1
-       1       3      20     103     251     262     158      82      42      21
+       1       3      20     103     251     262     159      82      42      21
       11       6       3       1       1       0       0       0       0       0
        0       0       0       0       0       0       1      10      62     251
      463     403     237     128      69      37      20      11       6       3
        2       1       1       3      17      91     260     337     240     137
       76      42      23      13       7       4       2       1       1       0
        0       0       0       0       0       0       0       0       0       0
-       0       0       1       6      37     166     386     432     297     176
+       0       0       1       6      37     165     386     432     298     176
      102      60      35      20      12       7       4       2       1       1
-       1       1       5      30     151     439     620     493     307     184
+       1       1       5      30     151     438     620     493     308     184
      110      66      39      24      14       8       5       3       2       1
        1       0       0       0       0       0       0       0       0       0
-       0       0       0       0       0       0       0       2      12      55
-     159     235     199     130      82      51      32      20      12       8
+       0       0       0       0       0       0       0       2      11      55
+     159     235     199     131      82      51      32      20      12       8
        5       3       2       1       1       0       0       0       0       0
        1       7      31      87     128     109      74      47      30      19
       12       8       5       3       2       1       1       1       0       0
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
-       0       2       8      44     192     550     868     809     577     386
-     256     171     113      75      50      33      22      15      10       7
+       0       2       8      44     191     550     868     810     577     386
+     257     171     113      75      50      33      22      15      10       7
        4       3       2       1       1       1       0       0       1       3
-      15      76     311     840    1276    1184     857     586     398     270
+      15      75     311     839    1276    1184     858     586     398     271
      184     125      85      58      39      27      18      12       8       6
        4       3       2       1       1       1       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
-       1       3      12      56     208     517     755     705     526     372
+       1       3      12      55     208     516     755     705     527     372
      261     184     129      91      64      45      31      22      16      11
        8       5       4       3       2       1       1       1       0       0
        0       0       0       0       0       0       1       5      23      81
-     193     280     265     201     145     104      74      53      38      27
+     193     279     265     202     145     104      74      53      38      27
       20      14      10       7       5       4       3       2       1       1
        1       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
-       0       0       2       8      34     118     299     482     510     416
-     311     229     169     124      92      68      50      37      27      20
+       0       0       2       8      34     118     299     482     510     417
+     311     230     169     125      92      68      50      37      27      20
       15      11       8       6       4       3       2       2       1       1
        1       1       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       1       3      10      39
-     144     427     876    1169    1103     872     657     491     368     275
+     144     427     875    1169    1104     873     657     492     368     275
      206     154     115      86      64      48      36      27      20      15
       11       8       6       5       4       3       2       1       1       1
        1       0       0       0       0       0       0       0       0       0
@@ -96,13 +96,13 @@
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       1       2       8      29     101     316
-     767    1292    1504    1343    1063     817     626     479     367     281
+     767    1291    1504    1343    1063     817     626     480     367     281
      215     165     126      97      74      57      43      33      25      20
       15      11       9       7       5       4       3       2       2       1
        1       1       1       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       1       2       7
-      24      78     224     497     784     883     786     629     490     380
+      24      78     223     497     784     883     786     629     490     380
      295     228     177     137     107      83      64      50      39      30
       23      18      14      11       8       7       5       4       3       2
        2       1       1       1       1       1       0       0       0       0
@@ -114,8 +114,8 @@
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
-       0       0       0       1       2       5      15      47     138     371
-     808    1320    1597    1525    1275    1018     805     636     502     397
+       0       0       0       1       2       5      15      46     138     371
+     808    1319    1597    1525    1275    1018     805     636     502     397
      314     248     196     155     122      96      76      60      48      38
       30      23      19      15      12       9       7       6       5       4
        3       2       2       1       1       1       1       1       0       0
@@ -124,8 +124,8 @@
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       1       2       6
-      17      49     140     381     915    1774    2630    2994    2792    2335
-    1879    1500    1197     954     761     607     484     386     308     246
+      17      49     140     380     914    1773    2629    2994    2792    2335
+    1879    1501    1197     955     761     607     484     386     308     246
      196     156     125      99      79      63      50      40      32      26
       20      16      13      10       8       7       5       4       3       3
        2       2       1       1       1       1       1       0       0       0
@@ -145,8 +145,8 @@
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
        0       0       1       3       7      19      48     122     298     658
-    1232    1864    2259    2266    2001    1660    1348    1091     882     713
-     576     466     377     304     246     199     161     130     105      85
+    1231    1863    2259    2266    2001    1660    1349    1091     882     713
+     576     466     377     305     246     199     161     130     105      85
       69      56      45      36      29      24      19      16      13      10
        8       7       5       4       3       3       2       2       1       1
        1       1       1       1       0       0       0       0       0       0
@@ -161,8 +161,8 @@
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       1       1
-       3       8      19      45     106     237     484     855    1261    1535
-    1576    1430    1210     994     811     660     537     437     356     289
+       3       8      19      45     106     237     483     855    1260    1534
+    1576    1431    1210     995     811     660     537     437     356     289
      235     192     156     127     103      84      68      56      45      37
       30      24      20      16      13      11       9       7       6       5
        4       3       3       2       2       1       1       1       1       1
@@ -202,10 +202,10 @@
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
-       0       0       1       1       2       5      10      21      42      87
-     177     359     713    1349    2355    3683    5050    6035    6343    6003
-    5279    4451    3684    3029    2487    2041    1675    1374    1128     926
-     760     623     512     420     345     283     232     190     156     128
+       0       0       1       1       2       5      10      21      42      86
+     177     359     712    1348    2354    3681    5048    6033    6343    6004
+    5280    4453    3685    3030    2488    2041    1675    1375    1128     926
+     760     624     512     420     345     283     232     190     156     128
      105      86      71      58      48      39      32      26      22      18
       15      12      10       8       7       5       4       4       3       2
        2       2       1       1       1       1       1       1       0       0
@@ -245,9 +245,9 @@
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
        0       1       1       2       4       7      13      23      43      80
-     147     272     499     905    1606    2732    4365    6423    8580   10335
-   11249   11176   10310    9018    7632    6351    5248    4326    3563    2935
-    2417    1991    1639    1350    1112     916     754     621     512     421
+     147     271     498     904    1604    2730    4362    6420    8576   10333
+   11248   11177   10312    9020    7634    6353    5250    4327    3564    2935
+    2418    1991    1640    1350    1112     916     754     621     512     421
      347     286     235     194     160     131     108      89      73      60
       50      41      34      28      23      19      16      13      11       9
        7       6       5       4       3       3       2       2       2       1
@@ -426,10 +426,10 @@
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       1       1       1       2       3       4
        6       9      14      20      29      42      62      90     131     190
-     277     403     585     850    1230    1772    2532    3575    4962    6736
-    8892   11361   13987   16539   18743   20339   21140   21077   20214   18717
-   16811   14724   12644   10702    8968    7467    6194    5128    4241    3506
-    2898    2395    1979    1636    1352    1117     923     763     631     521
+     276     402     585     849    1229    1770    2530    3572    4959    6732
+    8888   11356   13981   16533   18739   20336   21138   21078   20216   18720
+   16815   14729   12649   10706    8971    7470    6197    5130    4243    3507
+    2899    2396    1980    1636    1352    1117     923     763     631     521
      431     356     294     243     201     166     137     113      94      77
       64      53      44      36      30      25      20      17      14      12
       10       8       6       5       4       4       3       3       2       2
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_LookUpTable.irf b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_LookUpTable.irf
new file mode 100644
index 000000000..1b45b6b28
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_LookUpTable.irf
@@ -0,0 +1,252 @@
+  Instrumental Resolution Parameters for TOF (numerical look-up table) from: highres
+! To be used with functions NPROF=9 in FullProf (Res=5)
+! This file can be used only for the effective range of d-spacings given in the list
+! ----------------------------------------------------  Bank 1
+!  Type of profile function: back-to-back expon * pseudo-Voigt
+NPROF   9
+!       Tof-min(us)       step      Tof-max(us)
+TOFRG    7267.56836      23.35353  103417.67188
+!             Dtt1              Dtt2       Dtt_1overD         Zero
+D2TOF     20773.12305        -1.08308         0.00000       -13.88128
+!     TOF-TWOTH of the bank
+TWOTH     152.827
+!       d-spacing       Sigma^2         Gamma            Alpha           Beta            Shift    for pattern # 1
+LIST_SIG_GAM_ALF_BET_SHIFT    NPOINTS <- Put here the number of points by editing NPOINTS below
+         0.43471         0.56050         0.00000         0.24290         0.27856         0.00000
+         0.43628         0.56865         0.00000         0.24199         0.27466         0.00000
+         0.43787         0.57698         0.00000         0.24108         0.27080         0.00000
+         0.43948         0.58550         0.00000         0.24016         0.26695         0.00000
+         0.44192         0.59863         0.00000         0.23878         0.26124         0.00000
+         0.44357         0.60763         0.00000         0.23786         0.25747         0.00000
+         0.44524         0.61684         0.00000         0.23693         0.25373         0.00000
+         0.44693         0.62626         0.00000         0.23600         0.25002         0.00000
+         0.44864         0.63589         0.00000         0.23507         0.24633         0.00000
+         0.45037         0.64575         0.00000         0.23413         0.24267         0.00000
+         0.45212         0.65584         0.00000         0.23319         0.23904         0.00000
+         0.45389         0.66617         0.00000         0.23224         0.23544         0.00000
+         0.45568         0.67674         0.00000         0.23129         0.23187         0.00000
+         0.45749         0.68757         0.00000         0.23034         0.22832         0.00000
+         0.45932         0.69866         0.00000         0.22938         0.22480         0.00000
+         0.46118         0.71002         0.00000         0.22842         0.22131         0.00000
+         0.46306         0.72166         0.00000         0.22746         0.21785         0.00000
+         0.46496         0.73359         0.00000         0.22649         0.21442         0.00000
+         0.46689         0.74581         0.00000         0.22552         0.21101         0.00000
+         0.46884         0.75835         0.00000         0.22454         0.20764         0.00000
+         0.47081         0.77120         0.00000         0.22356         0.20429         0.00000
+         0.47281         0.78438         0.00000         0.22258         0.20097         0.00000
+         0.47382         0.79110         0.00000         0.22208         0.19932         0.00000
+         0.47483         0.79791         0.00000         0.22159         0.19767         0.00000
+         0.47586         0.80480         0.00000         0.22109         0.19604         0.00000
+         0.47689         0.81178         0.00000         0.22059         0.19441         0.00000
+         0.47792         0.81886         0.00000         0.22010         0.19279         0.00000
+         0.47896         0.82603         0.00000         0.21960         0.19117         0.00000
+         0.48001         0.83329         0.00000         0.21910         0.18957         0.00000
+         0.48107         0.84065         0.00000         0.21860         0.18797         0.00000
+         0.48213         0.84810         0.00000         0.21809         0.18637         0.00000
+         0.48320         0.85566         0.00000         0.21759         0.18479         0.00000
+         0.48536         0.87107         0.00000         0.21658         0.18163         0.00000
+         0.48755         0.88691         0.00000         0.21556         0.17851         0.00000
+         0.48866         0.89499         0.00000         0.21506         0.17696         0.00000
+         0.48978         0.90319         0.00000         0.21454         0.17541         0.00000
+         0.49090         0.91149         0.00000         0.21403         0.17388         0.00000
+         0.49203         0.91991         0.00000         0.21352         0.17235         0.00000
+         0.49317         0.92845         0.00000         0.21301         0.17082         0.00000
+         0.49431         0.93710         0.00000         0.21249         0.16931         0.00000
+         0.49546         0.94588         0.00000         0.21197         0.16780         0.00000
+         0.49663         0.95478         0.00000         0.21146         0.16630         0.00000
+         0.49780         0.96381         0.00000         0.21094         0.16480         0.00000
+         0.49897         0.97297         0.00000         0.21042         0.16331         0.00000
+         0.50016         0.98226         0.00000         0.20990         0.16183         0.00000
+         0.50136         0.99168         0.00000         0.20937         0.16036         0.00000
+         0.50256         1.00124         0.00000         0.20885         0.15889         0.00000
+         0.50377         1.01094         0.00000         0.20833         0.15743         0.00000
+         0.50622         1.03076         0.00000         0.20727         0.15453         0.00000
+         0.50746         1.04089         0.00000         0.20674         0.15310         0.00000
+         0.50871         1.05117         0.00000         0.20621         0.15166         0.00000
+         0.50997         1.06160         0.00000         0.20568         0.15024         0.00000
+         0.51124         1.07219         0.00000         0.20515         0.14882         0.00000
+         0.51251         1.08294         0.00000         0.20462         0.14741         0.00000
+         0.51380         1.09385         0.00000         0.20408         0.14601         0.00000
+         0.51509         1.10493         0.00000         0.20354         0.14461         0.00000
+         0.51640         1.11618         0.00000         0.20301         0.14322         0.00000
+         0.51772         1.12759         0.00000         0.20247         0.14184         0.00000
+         0.51904         1.13919         0.00000         0.20192         0.14046         0.00000
+         0.52038         1.15096         0.00000         0.20138         0.13909         0.00000
+         0.52172         1.16292         0.00000         0.20084         0.13773         0.00000
+         0.52308         1.17507         0.00000         0.20029         0.13638         0.00000
+         0.52445         1.18740         0.00000         0.19975         0.13503         0.00000
+         0.52722         1.21267         0.00000         0.19865         0.13236         0.00000
+         0.52862         1.22560         0.00000         0.19810         0.13103         0.00000
+         0.53003         1.23874         0.00000         0.19755         0.12971         0.00000
+         0.53145         1.25210         0.00000         0.19699         0.12840         0.00000
+         0.53289         1.26567         0.00000         0.19644         0.12710         0.00000
+         0.53579         1.29349         0.00000         0.19532         0.12451         0.00000
+         0.53726         1.30774         0.00000         0.19476         0.12322         0.00000
+         0.53874         1.32223         0.00000         0.19420         0.12195         0.00000
+         0.54024         1.33696         0.00000         0.19364         0.12068         0.00000
+         0.54174         1.35194         0.00000         0.19307         0.11941         0.00000
+         0.54326         1.36718         0.00000         0.19251         0.11816         0.00000
+         0.54479         1.38267         0.00000         0.19194         0.11691         0.00000
+         0.54634         1.39843         0.00000         0.19137         0.11567         0.00000
+         0.54790         1.41445         0.00000         0.19080         0.11443         0.00000
+         0.55106         1.44735         0.00000         0.18965         0.11198         0.00000
+         0.55266         1.46423         0.00000         0.18908         0.11077         0.00000
+         0.55427         1.48140         0.00000         0.18850         0.10956         0.00000
+         0.55590         1.49888         0.00000         0.18792         0.10836         0.00000
+         0.55754         1.51667         0.00000         0.18734         0.10717         0.00000
+         0.55920         1.53478         0.00000         0.18676         0.10599         0.00000
+         0.56087         1.55322         0.00000         0.18617         0.10481         0.00000
+         0.56256         1.57199         0.00000         0.18559         0.10364         0.00000
+         0.56426         1.59110         0.00000         0.18500         0.10247         0.00000
+         0.56598         1.61056         0.00000         0.18441         0.10132         0.00000
+         0.56771         1.63038         0.00000         0.18382         0.10017         0.00000
+         0.56946         1.65057         0.00000         0.18323         0.09902         0.00000
+         0.57122         1.67114         0.00000         0.18263         0.09789         0.00000
+         0.57301         1.69210         0.00000         0.18203         0.09676         0.00000
+         0.57481         1.71345         0.00000         0.18144         0.09563         0.00000
+         0.57846         1.75738         0.00000         0.18023         0.09341         0.00000
+         0.58031         1.77998         0.00000         0.17963         0.09231         0.00000
+         0.58218         1.80302         0.00000         0.17902         0.09122         0.00000
+         0.58406         1.82652         0.00000         0.17841         0.09013         0.00000
+         0.58597         1.85047         0.00000         0.17780         0.08905         0.00000
+         0.58789         1.87490         0.00000         0.17719         0.08798         0.00000
+         0.58984         1.89981         0.00000         0.17658         0.08691         0.00000
+         0.59180         1.92523         0.00000         0.17596         0.08585         0.00000
+         0.59378         1.95116         0.00000         0.17534         0.08480         0.00000
+         0.59578         1.97761         0.00000         0.17472         0.08376         0.00000
+         0.59781         2.00461         0.00000         0.17410         0.08272         0.00000
+         0.59985         2.03217         0.00000         0.17347         0.08169         0.00000
+         0.60192         2.06029         0.00000         0.17285         0.08066         0.00000
+         0.60400         2.08901         0.00000         0.17222         0.07965         0.00000
+         0.60611         2.11833         0.00000         0.17159         0.07864         0.00000
+         0.61039         2.17885         0.00000         0.17032         0.07664         0.00000
+         0.61257         2.21008         0.00000         0.16968         0.07565         0.00000
+         0.61477         2.24200         0.00000         0.16904         0.07467         0.00000
+         0.61699         2.27461         0.00000         0.16840         0.07369         0.00000
+         0.61924         2.30794         0.00000         0.16775         0.07273         0.00000
+         0.62151         2.34200         0.00000         0.16710         0.07177         0.00000
+         0.62381         2.37683         0.00000         0.16645         0.07081         0.00000
+         0.62613         2.41243         0.00000         0.16580         0.06987         0.00000
+         0.62848         2.44885         0.00000         0.16515         0.06893         0.00000
+         0.63086         2.48609         0.00000         0.16449         0.06800         0.00000
+         0.63326         2.52419         0.00000         0.16383         0.06707         0.00000
+         0.63569         2.56317         0.00000         0.16317         0.06615         0.00000
+         0.63815         2.60307         0.00000         0.16250         0.06524         0.00000
+         0.64064         2.64390         0.00000         0.16184         0.06434         0.00000
+         0.64316         2.68570         0.00000         0.16117         0.06344         0.00000
+         0.64828         2.77233         0.00000         0.15982         0.06167         0.00000
+         0.65089         2.81722         0.00000         0.15914         0.06079         0.00000
+         0.65353         2.86322         0.00000         0.15846         0.05992         0.00000
+         0.65621         2.91035         0.00000         0.15778         0.05906         0.00000
+         0.65891         2.95865         0.00000         0.15709         0.05821         0.00000
+         0.66443         3.05894         0.00000         0.15571         0.05652         0.00000
+         0.66723         3.11101         0.00000         0.15502         0.05568         0.00000
+         0.67008         3.16441         0.00000         0.15432         0.05486         0.00000
+         0.67296         3.21921         0.00000         0.15362         0.05404         0.00000
+         0.67588         3.27544         0.00000         0.15292         0.05323         0.00000
+         0.67884         3.33315         0.00000         0.15221         0.05242         0.00000
+         0.68184         3.39241         0.00000         0.15150         0.05162         0.00000
+         0.68487         3.45326         0.00000         0.15079         0.05083         0.00000
+         0.68795         3.51576         0.00000         0.15007         0.05005         0.00000
+         0.69423         3.64596         0.00000         0.14863         0.04850         0.00000
+         0.69744         3.71379         0.00000         0.14790         0.04773         0.00000
+         0.70069         3.78353         0.00000         0.14717         0.04698         0.00000
+         0.70399         3.85526         0.00000         0.14644         0.04623         0.00000
+         0.70733         3.92904         0.00000         0.14570         0.04549         0.00000
+         0.71073         4.00496         0.00000         0.14496         0.04475         0.00000
+         0.71417         4.08310         0.00000         0.14422         0.04402         0.00000
+         0.71766         4.16356         0.00000         0.14347         0.04330         0.00000
+         0.72121         4.24642         0.00000         0.14272         0.04259         0.00000
+         0.72480         4.33176         0.00000         0.14197         0.04188         0.00000
+         0.72845         4.41972         0.00000         0.14121         0.04118         0.00000
+         0.73216         4.51038         0.00000         0.14045         0.04049         0.00000
+         0.73593         4.60385         0.00000         0.13968         0.03980         0.00000
+         0.73975         4.70027         0.00000         0.13891         0.03912         0.00000
+         0.74363         4.79974         0.00000         0.13814         0.03845         0.00000
+         0.75159         5.00840         0.00000         0.13658         0.03713         0.00000
+         0.75566         5.11787         0.00000         0.13579         0.03648         0.00000
+         0.75980         5.23097         0.00000         0.13500         0.03583         0.00000
+         0.76401         5.34786         0.00000         0.13421         0.03520         0.00000
+         0.76829         5.46871         0.00000         0.13341         0.03457         0.00000
+         0.77264         5.59370         0.00000         0.13260         0.03395         0.00000
+         0.77707         5.72304         0.00000         0.13179         0.03333         0.00000
+         0.78157         5.85690         0.00000         0.13098         0.03272         0.00000
+         0.78616         5.99552         0.00000         0.13016         0.03212         0.00000
+         0.79082         6.13912         0.00000         0.12934         0.03153         0.00000
+         0.79557         6.28795         0.00000         0.12851         0.03094         0.00000
+         0.80041         6.44225         0.00000         0.12768         0.03036         0.00000
+         0.80534         6.60229         0.00000         0.12684         0.02978         0.00000
+         0.81035         6.76838         0.00000         0.12600         0.02922         0.00000
+         0.81547         6.94082         0.00000         0.12515         0.02866         0.00000
+         0.82599         7.30606         0.00000         0.12344         0.02756         0.00000
+         0.83141         7.49959         0.00000         0.12258         0.02702         0.00000
+         0.83693         7.70092         0.00000         0.12171         0.02649         0.00000
+         0.84257         7.91045         0.00000         0.12083         0.02597         0.00000
+         0.84832         8.12866         0.00000         0.11995         0.02545         0.00000
+         0.85419         8.35603         0.00000         0.11906         0.02494         0.00000
+         0.86018         8.59306         0.00000         0.11816         0.02444         0.00000
+         0.86630         8.84034         0.00000         0.11726         0.02394         0.00000
+         0.87256         9.09843         0.00000         0.11636         0.02345         0.00000
+         0.87895         9.36801         0.00000         0.11544         0.02297         0.00000
+         0.88549         9.64973         0.00000         0.11452         0.02250         0.00000
+         0.89217         9.94437         0.00000         0.11360         0.02203         0.00000
+         0.89901        10.25270         0.00000         0.11266         0.02157         0.00000
+         0.90600        10.57560         0.00000         0.11172         0.02111         0.00000
+         0.91317        10.91400         0.00000         0.11077         0.02067         0.00000
+         0.92801        11.64140         0.00000         0.10885         0.01979         0.00000
+         0.93572        12.03268         0.00000         0.10788         0.01937         0.00000
+         0.94361        12.44403         0.00000         0.10690         0.01895         0.00000
+         0.95171        12.87683         0.00000         0.10591         0.01854         0.00000
+         0.96002        13.33261         0.00000         0.10491         0.01813         0.00000
+         0.97732        14.31989         0.00000         0.10289         0.01735         0.00000
+         0.98633        14.85517         0.00000         0.10187         0.01696         0.00000
+         0.99559        15.42102         0.00000         0.10083         0.01659         0.00000
+         1.00512        16.01985         0.00000         0.09979         0.01622         0.00000
+         1.01493        16.65423         0.00000         0.09873         0.01585         0.00000
+         1.02503        17.32706         0.00000         0.09767         0.01550         0.00000
+         1.03543        18.04150         0.00000         0.09659         0.01515         0.00000
+         1.04616        18.80106         0.00000         0.09551         0.01481         0.00000
+         1.05723        19.60962         0.00000         0.09441         0.01448         0.00000
+         1.08047        21.39143         0.00000         0.09218         0.01383         0.00000
+         1.09268        22.37483         0.00000         0.09105         0.01352         0.00000
+         1.10531        23.42761         0.00000         0.08990         0.01321         0.00000
+         1.11839        24.55649         0.00000         0.08874         0.01291         0.00000
+         1.13195        25.76898         0.00000         0.08757         0.01262         0.00000
+         1.14601        27.07355         0.00000         0.08638         0.01233         0.00000
+         1.16061        28.47972         0.00000         0.08518         0.01206         0.00000
+         1.17578        29.99838         0.00000         0.08396         0.01178         0.00000
+         1.19157        31.64183         0.00000         0.08272         0.01152         0.00000
+         1.20800        33.42411         0.00000         0.08147         0.01126         0.00000
+         1.22514        35.36135         0.00000         0.08020         0.01101         0.00000
+         1.24303        37.47202         0.00000         0.07891         0.01077         0.00000
+         1.26172        39.77747         0.00000         0.07761         0.01054         0.00000
+         1.28128        42.30241         0.00000         0.07628         0.01031         0.00000
+         1.30178        45.07560         0.00000         0.07493         0.01009         0.00000
+         1.34592        51.50732         0.00000         0.07217         0.00966         0.00000
+         1.36975        55.25212         0.00000         0.07075         0.00946         0.00000
+         1.39488        59.42065         0.00000         0.06931         0.00927         0.00000
+         1.42145        64.07938         0.00000         0.06784         0.00908         0.00000
+         1.44960        69.30823         0.00000         0.06635         0.00890         0.00000
+         1.47950        75.20427         0.00000         0.06482         0.00873         0.00000
+         1.51132        81.88592         0.00000         0.06326         0.00857         0.00000
+         1.54528        89.49927         0.00000         0.06166         0.00841         0.00000
+         1.58165        98.22598         0.00000         0.06003         0.00826         0.00000
+         1.62071       108.29414         0.00000         0.05836         0.00811         0.00000
+         1.66281       119.99350         0.00000         0.05665         0.00797         0.00000
+         1.70838       133.69649         0.00000         0.05489         0.00784         0.00000
+         1.75790       149.88809         0.00000         0.05308         0.00772         0.00000
+         1.81201       169.20963         0.00000         0.05122         0.00761         0.00000
+         1.87143       192.52295         0.00000         0.04930         0.00750         0.00000
+         2.01024       256.31757         0.00000         0.04526         0.00730         0.00000
+         2.09232       300.81702         0.00000         0.04312         0.00721         0.00000
+         2.18536       357.99722         0.00000         0.04089         0.00713         0.00000
+         2.29203       433.17676         0.00000         0.03855         0.00706         0.00000
+         2.41601       534.78577         0.00000         0.03610         0.00699         0.00000
+         2.56256       676.83850         0.00000         0.03350         0.00693         0.00000
+         2.73950       884.03394         0.00000         0.03074         0.00688         0.00000
+         2.95899      1203.26831         0.00000         0.02777         0.00683         0.00000
+         3.24142      1732.70618         0.00000         0.02454         0.00679         0.00000
+         3.62401      2707.35400         0.00000         0.02097         0.00676         0.00000
+         4.18465      4813.07227         0.00000         0.01692         0.00674         0.00000
+NPOINTS   236   <- Remove this line and put NPOINTS in the item LIST_SIG_GAM_ALF_BET
+END
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_ShapePar.irf b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_ShapePar.irf
new file mode 100644
index 000000000..8962e9bf0
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_ShapePar.irf
@@ -0,0 +1,19 @@
+  Instrumental Resolution Parameters for TOF (Peak-Shape parameters) from: highres
+! To be used with functions NPROF=9 in FullProf (Res=5)
+! If shape parameters are null they have to be given manually
+! It is supposed that the instrumental profile parameters are those of Phase # 1
+! ----------------------------------------------------  Bank 1
+!  Type of profile function: back-to-back expon * pseudo-Voigt
+NPROF   9
+!       Tof-min(us)       step      Tof-max(us)
+TOFRG    7267.56836      23.35353  103417.67188
+!             Dtt1              Dtt2       Dtt_1overD         Zero
+D2TOF     20773.12305        -1.08308         0.00000       -13.88128
+!      TOF-2Theta of the bank
+TWOTH     152.827
+!         Sigma-2_i     Sigma-1_i     Sigma-0_i     Sigma-Q_i
+SIGMA       15.6959        0.0000        0.0000        0.0000
+!         Gamma-2_i     Gamma-1_i     Gamma-0_i
+GAMMA        0.0000        0.0000        0.0000
+!           alph0_i       beta0_i       alph1_i       beta1_i       alphQ_i       betaQ_i
+ALFBE     -0.009276      0.006705      0.109622      0.009708      0.000000      0.000000
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.out b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.out
index eb8723cff..03d0e5496 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.out
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.out
@@ -1,14 +1,14 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 06/06/2026  Time: 23:14:37.923                              
+    Date: 09/06/2026  Time: 12:42:04.250                              
 
  => PCR file code: tmpl_one_bank
  => DAT file code: 55025-5_6raw.gss     -> Relative contribution: 1.0000                                                            
@@ -154,40 +154,40 @@
  => Number of cycles:   20
  => Relaxation factors ==>    for coordinates:  0.30
  => for anisotropic temperature factors:  0.30
- => for halfwidth/strain/size parameters:  0.30
+ => for halfwidth/strain/size/further parameters:  0.30
  => for lattice constants and propagation vectors:  0.30
  => EPS-value for convergence:    0.3
  => Background ==> 
     Position   Intensity
-    11136.87      522.63      271.00
-    13313.39      560.09      281.00
-     9162.30      291.19      291.00
-    14906.51      549.00      301.00
-    16454.75      531.08      311.00
-    17352.28      495.90      321.00
-    18743.46      428.69      331.00
-    20179.51      452.55      341.00
-    21368.74      397.28      351.00
-    22176.04      470.00      261.00
-    22827.23      478.47      361.00
-    24644.73      380.18      371.00
-    26439.79      381.53      381.00
-    28257.29      378.66      391.00
-    31196.71      343.99      401.00
-    34034.41      328.40      411.00
-    37265.52      310.71      421.00
-    41214.66      322.95      431.00
-    44827.23      283.10      441.00
-    49830.96      272.69      451.00
-
-    52905.01      256.88      461.00
-    58204.94      259.87      471.00
-    62916.98      260.76      481.00
-    70186.98      262.22      491.00
-    74204.94      262.04      501.00
-    82103.22      268.18      511.00
-    91958.87      268.23      521.00
-   102712.04      262.42       91.00
+    11136.87      522.60        0.00
+    13313.39      560.03        0.00
+     9162.30      291.17        0.00
+    14906.51      548.97        0.00
+    16454.75      531.04        0.00
+    17352.28      495.87        0.00
+    18743.46      428.69        0.00
+    20179.51      452.53        0.00
+    21368.74      397.28        0.00
+    22176.04      469.99        0.00
+    22827.23      478.46        0.00
+    24644.73      380.18        0.00
+    26439.79      381.52        0.00
+    28257.29      378.66        0.00
+    31196.71      343.99        0.00
+    34034.41      328.40        0.00
+    37265.52      310.71        0.00
+    41214.66      322.95        0.00
+    44827.23      283.10        0.00
+    49830.96      272.69        0.00
+
+    52905.01      256.88        0.00
+    58204.94      259.87        0.00
+    62916.98      260.76        0.00
+    70186.98      262.22        0.00
+    74204.94      262.04        0.00
+    82103.22      268.18        0.00
+    91958.87      268.23        0.00
+   102712.04      262.42        0.00
 
  
 
@@ -348,14 +348,14 @@
       0.0000   7000.0000
  240000.0000 300000.0000
 
- => Number of Least-Squares parameters varied:    52
+ => Number of Least-Squares parameters varied:     0
 
  =>--------------------------->
  =>------->  PATTERN number:  1
  =>--------------------------->
  => Global parameters and codes ==>
- => Zero-point:   -13.8817   81.0000
- => D-spacing to T.O.F. coefficient dtt1 and code:  20773.123    71.000
+ => Zero-point:   -13.8813    0.0000
+ => D-spacing to T.O.F. coefficient dtt1 and code:  20773.123     0.000
  => D-spacing to T.O.F. coefficient dtt2 and code:     -1.083     0.000
  => D-spacing to T.O.F. coefficient dtt_1OverD and code:      0.000     0.000
  => T.O.F. 2theta average detector angle      :    152.827
@@ -622,23 +622,23 @@
  => Initial parameters ==>
  Atom    Ntyp                  X         Y         Z         B         occ.         in  fin  Spc  Mult
                              B11       B22       B33       B12       B13       B23
- Ca1    CA                 0.46610   0.00000   0.25000   0.88770   1.50000           0    0    0   12
-                 Codes:  101.00000   0.00000   0.00000 121.00000   0.00000
- Al1    AL                 0.25163   0.25163   0.25163   0.65283   1.00000           0    0    0    8
-                 Codes:  111.00000 111.00000 111.00000 131.00000   0.00000
- Na1    NA                 0.08472   0.08472   0.08472   1.89281   1.00000           0    0    0    8
-                 Codes:  141.00000 141.00000 141.00000 151.00000   0.00000
- F1     F                  0.13748   0.30533   0.11947   0.89562   3.00000           0    0    0   24
-                 Codes:  171.00000 181.00000 191.00000 161.00000   0.00000
- F2     F                  0.36263   0.36333   0.18669   1.27227   3.00000           0    0    0   24
-                 Codes:  201.00000 211.00000 221.00000 241.00000   0.00000
- F3     F                  0.46120   0.46120   0.46120   0.78071   1.00000           0    0    0    8
-                 Codes:  231.00000 231.00000 231.00000 251.00000   0.00000
-
- => IT IS ASSUMED THAT THE FIRST GIVEN SITE IS FULLY OCCUPIED 
-    OR THE FIRST AND SECOND ATOMS ARE IN THE SAME SITE WITH TOTAL FULL OCCUPATION
+ Ca1    CA                 0.46610   0.00000   0.25000   0.88721   1.50000           0    0    0   12
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ Al1    AL                 0.25163   0.25163   0.25163   0.65230   1.00000           0    0    0    8
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ Na1    NA                 0.08472   0.08472   0.08472   1.89168   1.00000           0    0    0    8
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ F1     F                  0.13748   0.30533   0.11947   0.89535   3.00000           0    0    0   24
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ F2     F                  0.36263   0.36333   0.18669   1.27175   3.00000           0    0    0   24
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+ F3     F                  0.46120   0.46120   0.46120   0.78029   1.00000           0    0    0    8
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+
+ => It is assumed that THE FIRST GIVEN SITE plus all the other atoms 
+    occupying THE SAME POSITION have a total full occupation (no vacancies!)
   (if this is not the case, change the order of atoms to obtain correct values for the content of the unit cell)
-    The given occupation factors have been obtained mutiplying m/M by   3.0000
+    The given occupation factors have been obtained mutiplying m/M by   1.5000
       -> Atom: CA  ,  Chemical element: CA  Atomic Mass:    40.0800
       -> Atom: AL  ,  Chemical element: AL  Atomic Mass:    26.9815
       -> Atom: NA  ,  Chemical element: NA  Atomic Mass:    22.9898
@@ -655,10 +655,10 @@
 
  =>-------> PROFILE PARAMETERS FOR PATTERN:  1
 
- => Overall scale factor:    4.02094    
+ => Overall scale factor:    4.01930    
  => T.O.F. Extinction parameter:   0.0000
  => Overall temperature factor:      0.00000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:     15.69600     0.00000     0.00000     0.00000
+ => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:     15.69590     0.00000     0.00000     0.00000
  => T.O.F. Isotropic Gaussian strain parameter (G-strain):       0.0000
  => T.O.F. Iso-Gaussian and Aniso-Lor (platelets/needles) Size parameters (G-Size,Ani-LorSiz)  :      0.00000     0.00000
  => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000     0.00000     0.00000
@@ -671,17 +671,17 @@
 
  ==> CODEWORDS FOR PROFILE PARAMETERS of PATTERN#  1
 
- => Codeword -Overall scale factor:   21.0000    
+ => Codeword -Overall scale factor:   0.00000    
  => Codeword  - T.O.F. Extinction parameter:   0.0000
  => Codeword  - Overall temperature factor:      0.00000
- => Codewords - T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:     61.00000     0.00000     0.00000     0.00000
+ => Codewords - T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:      0.00000     0.00000     0.00000     0.00000
  => Codewords - T.O.F. Isotropic Gaussian strain parameter (G-strain):       0.0000
  => Codewords - T.O.F. Iso-Gaussian and Aniso-Lor (platelets/needles) Size parameters (G-Size,Ani-LorSize)  :      0.00000     0.00000
  => Codewords - T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000     0.00000     0.00000
  => Codewords - T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz):      0.00000     0.00000
  => Codewords - Direct cell parameters:    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
  => Codewords - Preferred orientation parameters:   0.0000  0.0000
- => Codewords - T.O.F. Peak shape parameter alpha0,beta0,alpha1,beta1/kappa,alpha-q,beta-Q:     51.00000    41.00000    31.00000    11.00000     0.00000     0.00000
+ => Codewords - T.O.F. Peak shape parameter alpha0,beta0,alpha1,beta1/kappa,alpha-q,beta-Q:      0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
 => Codewords - Model-dependent Strain parameters s2,s1,s0:      0.00000     0.00000     0.00000
 
 
@@ -928,90 +928,33 @@
  AL     0.3449
  NA     0.3630
  F      0.5654
-
-     --------------------------------------------------------------
-      SYMBOLIC NAMES AND INITIAL VALUES OF PARAMETERS TO BE VARIED:
-     --------------------------------------------------------------
-
-      ->  Parameter number    1   -> Symbolic Name:                                     Beta1_ph1_pat1    0.97080003E-02
-      ->  Parameter number    2   -> Symbolic Name:                                     Scale_ph1_pat1     4.0209370    
-      ->  Parameter number    3   -> Symbolic Name:                                    Alpha1_ph1_pat1    0.10962300    
-      ->  Parameter number    4   -> Symbolic Name:                                     Beta0_ph1_pat1    0.67050001E-02
-      ->  Parameter number    5   -> Symbolic Name:                                    Alpha0_ph1_pat1   -0.92759999E-02
-      ->  Parameter number    6   -> Symbolic Name:                                     Sig-2_ph1_pat1     15.696000    
-      ->  Parameter number    7   -> Symbolic Name:                                          Dtt1_pat1     20773.123    
-      ->  Parameter number    8   -> Symbolic Name:                                          Zero_pat1    -13.881680    
-      ->  Parameter number    9   -> Symbolic Name:                                        Bck_27_pat1     262.42099    
-      ->  Parameter number   10   -> Symbolic Name:                                          X_Ca1_ph1    0.46610001    
-      ->  Parameter number   11   -> Symbolic Name:                                          X_Al1_ph1    0.25163001    
-      ->  Parameter number   12   -> Symbolic Name:                                       Biso_Ca1_ph1    0.88770002    
-      ->  Parameter number   13   -> Symbolic Name:                                       Biso_Al1_ph1    0.65283000    
-      ->  Parameter number   14   -> Symbolic Name:                                          X_Na1_ph1    0.84720001E-01
-      ->  Parameter number   15   -> Symbolic Name:                                       Biso_Na1_ph1     1.8928100    
-      ->  Parameter number   16   -> Symbolic Name:                                        Biso_F1_ph1    0.89561999    
-      ->  Parameter number   17   -> Symbolic Name:                                           X_F1_ph1    0.13748001    
-      ->  Parameter number   18   -> Symbolic Name:                                           Y_F1_ph1    0.30533001    
-      ->  Parameter number   19   -> Symbolic Name:                                           Z_F1_ph1    0.11947000    
-      ->  Parameter number   20   -> Symbolic Name:                                           X_F2_ph1    0.36263001    
-      ->  Parameter number   21   -> Symbolic Name:                                           Y_F2_ph1    0.36333001    
-      ->  Parameter number   22   -> Symbolic Name:                                           Z_F2_ph1    0.18669000    
-      ->  Parameter number   23   -> Symbolic Name:                                           X_F3_ph1    0.46120000    
-      ->  Parameter number   24   -> Symbolic Name:                                        Biso_F2_ph1     1.2722700    
-      ->  Parameter number   25   -> Symbolic Name:                                        Biso_F3_ph1    0.78070998    
-      ->  Parameter number   26   -> Symbolic Name:                                         Bck_9_pat1     469.99731    
-      ->  Parameter number   27   -> Symbolic Name:                                         Bck_0_pat1     522.62903    
-      ->  Parameter number   28   -> Symbolic Name:                                         Bck_1_pat1     560.08691    
-      ->  Parameter number   29   -> Symbolic Name:                                         Bck_2_pat1     291.18729    
-      ->  Parameter number   30   -> Symbolic Name:                                         Bck_3_pat1     549.00391    
-      ->  Parameter number   31   -> Symbolic Name:                                         Bck_4_pat1     531.07611    
-      ->  Parameter number   32   -> Symbolic Name:                                         Bck_5_pat1     495.89929    
-      ->  Parameter number   33   -> Symbolic Name:                                         Bck_6_pat1     428.69489    
-      ->  Parameter number   34   -> Symbolic Name:                                         Bck_7_pat1     452.54730    
-      ->  Parameter number   35   -> Symbolic Name:                                         Bck_8_pat1     397.27591    
-      ->  Parameter number   36   -> Symbolic Name:                                        Bck_10_pat1     478.46552    
-      ->  Parameter number   37   -> Symbolic Name:                                        Bck_11_pat1     380.18219    
-      ->  Parameter number   38   -> Symbolic Name:                                        Bck_12_pat1     381.52740    
-      ->  Parameter number   39   -> Symbolic Name:                                        Bck_13_pat1     378.66119    
-      ->  Parameter number   40   -> Symbolic Name:                                        Bck_14_pat1     343.98679    
-      ->  Parameter number   41   -> Symbolic Name:                                        Bck_15_pat1     328.39960    
-      ->  Parameter number   42   -> Symbolic Name:                                        Bck_16_pat1     310.70789    
-      ->  Parameter number   43   -> Symbolic Name:                                        Bck_17_pat1     322.95041    
-      ->  Parameter number   44   -> Symbolic Name:                                        Bck_18_pat1     283.09659    
-      ->  Parameter number   45   -> Symbolic Name:                                        Bck_19_pat1     272.68839    
-      ->  Parameter number   46   -> Symbolic Name:                                        Bck_20_pat1     256.88321    
-      ->  Parameter number   47   -> Symbolic Name:                                        Bck_21_pat1     259.86691    
-      ->  Parameter number   48   -> Symbolic Name:                                        Bck_22_pat1     260.76379    
-      ->  Parameter number   49   -> Symbolic Name:                                        Bck_23_pat1     262.22150    
-      ->  Parameter number   50   -> Symbolic Name:                                        Bck_24_pat1     262.04309    
-      ->  Parameter number   51   -> Symbolic Name:                                        Bck_25_pat1     268.18201    
-      ->  Parameter number   52   -> Symbolic Name:                                        Bck_26_pat1     268.23221    
   
  
  => No optimization for routine tasks
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
  => CYCLE No.:    1
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Y5Al3O12 Nuclear                                                      
- ---------------------------------------------------------------------------------------
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: Y5Al3O12 Nuclear
+ ------------------------------------------------------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
 
- Ca1      0.46610-0.00000 0.00035  0.00000 0.00000 0.00000  0.25000 0.00000 0.00000  0.88721-0.00049 0.08067  1.50000 0.00000 0.00000
- Al1      0.25163-0.00000 0.00066  0.25163-0.00000 0.00066  0.25163-0.00000 0.00066  0.65230-0.00053 0.08796  1.00000 0.00000 0.00000
- Na1      0.08472 0.00000 0.00039  0.08472 0.00000 0.00039  0.08472 0.00000 0.00039  1.89168-0.00113 0.18806  1.00000 0.00000 0.00000
- F1       0.13748-0.00000 0.00027  0.30533-0.00000 0.00025  0.11947 0.00000 0.00027  0.89535-0.00027 0.06265  3.00000 0.00000 0.00000
- F2       0.36263 0.00000 0.00032  0.36333 0.00000 0.00033  0.18669-0.00000 0.00028  1.27175-0.00052 0.06380  3.00000 0.00000 0.00000
- F3       0.46120 0.00000 0.00017  0.46120 0.00000 0.00017  0.46120 0.00000 0.00017  0.78029-0.00042 0.08598  1.00000 0.00000 0.00000
+ Ca1      0.46610 0.00000 0.00000  0.00000 0.00000 0.00000  0.25000 0.00000 0.00000  0.88721 0.00000 0.00000  1.50000 0.00000 0.00000
+ Al1      0.25163 0.00000 0.00000  0.25163 0.00000 0.00000  0.25163 0.00000 0.00000  0.65230 0.00000 0.00000  1.00000 0.00000 0.00000
+ Na1      0.08472 0.00000 0.00000  0.08472 0.00000 0.00000  0.08472 0.00000 0.00000  1.89168 0.00000 0.00000  1.00000 0.00000 0.00000
+ F1       0.13748 0.00000 0.00000  0.30533 0.00000 0.00000  0.11947 0.00000 0.00000  0.89535 0.00000 0.00000  3.00000 0.00000 0.00000
+ F2       0.36263 0.00000 0.00000  0.36333 0.00000 0.00000  0.18669 0.00000 0.00000  1.27175 0.00000 0.00000  3.00000 0.00000 0.00000
+ F3       0.46120 0.00000 0.00000  0.46120 0.00000 0.00000  0.46120 0.00000 0.00000  0.78029 0.00000 0.00000  1.00000 0.00000 0.00000
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
- => Overall scale factor       :      4.019921303    -0.001015713     0.018034674
+ => Overall scale factor       :      4.019303799     0.000000000     0.000000000
  => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
  => Overall temperature  factor:     0.000000    0.000000    0.000000
  => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-        15.695944   -0.000056    0.774293
+        15.695900    0.000000    0.000000
          0.000000    0.000000    0.000000
          0.000000    0.000000    0.000000
 
@@ -1046,10 +989,10 @@
          0.000000    0.000000    0.000000
 
  => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
-       -0.009276    0.000000    0.000975
-        0.006705   -0.000000    0.000035
-        0.109622   -0.000001    0.002327
-        0.009708   -0.000000    0.000252
+       -0.009276    0.000000    0.000000
+        0.006705    0.000000    0.000000
+        0.109622    0.000000    0.000000
+        0.009708    0.000000    0.000000
 
  => Absorption parameters: 
        0.000000  0.000000  0.000000
@@ -1058,54 +1001,25 @@
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:   -13.8817    0.0000    0.5162
- => Background Parameters (linear interpolation)  ==>
-         522.602      -0.273991E-01    15.5406    
-         560.034      -0.530026E-01    25.9208    
-         291.166      -0.208639E-01    137.950    
-         548.970      -0.338896E-01    19.2368    
-         531.042      -0.345271E-01    17.0107    
-         495.874      -0.249041E-01    13.8839    
-         428.687      -0.796052E-02    10.4776    
-         452.526      -0.210962E-01    10.5145    
-         397.276       0.253611E-03    9.40524    
-         469.990      -0.765231E-02    12.2401    
-         478.458      -0.790651E-02    9.39982    
-         380.179      -0.277666E-02    6.01405    
-         381.523      -0.447488E-02    5.36470    
-         378.662       0.125385E-02    4.58697    
-         343.988       0.899144E-03    4.01464    
-         328.399      -0.509246E-03    3.62948    
-         310.708      -0.194109E-04    3.52813    
-         322.950      -0.450884E-03    3.41431    
-         283.096      -0.571716E-03    3.37235    
-         272.688      -0.181759E-03    3.53230    
-         256.882      -0.147849E-02    3.57599    
-         259.866      -0.424449E-03    3.69924    
-         260.762      -0.191969E-02    3.93164    
-         262.221      -0.375639E-03    4.73808    
-         262.039      -0.392966E-02    5.79294    
-         268.181      -0.902416E-03    5.57003    
-         268.229      -0.276202E-02    7.06774    
-         262.421       0.148519E-03    15.1621    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):  20773.12     -0.00      0.35
+ => Zero-point:   -13.8813    0.0000    0.0000
+
+ => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):  20773.12      0.00      0.00
  => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.08      0.00      0.00
  => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00      0.00
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
- => R-Factors:   7.48      8.27     Chi2:  15.3     DW-Stat.:  0.3496   Patt#:  1
- => Expected :            2.11                                1.9044
- => Deviance : 0.338E+05     Dev*:   8.953    
+ => R-Factors:   7.48      8.27     Chi2:  15.2     DW-Stat.:  0.3495   Patt#:  1
+ => Expected :            2.12                                1.8991
+ => Deviance : 0.338E+05     Dev*:   8.929    
  => GoF-index:  3.9         Sqrt(Residual/N)
- => N-P+C:  3779
+ => N-P+C:  3789
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1865E+06    0.2492E+07    0.2467E+07    0.8453E+07    0.5778E+05    0.5360E+14
+     0.1865E+06    0.2492E+07    0.2467E+07    0.8453E+07    0.5778E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   17.7      12.5      3.20      15.29    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   17.7      12.5      3.21      15.25    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.1054E+07    0.3685E+07
 
@@ -1113,16 +1027,16 @@
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
  => R-Factors:   7.51      8.27     Chi2:  15.9     DW-Stat.:  0.3501   Patt#:
- => Expected :            2.07                                1.9025
- => Deviance : 0.336E+05     Dev*:   9.257    
+ => Expected :            2.08                                1.8970
+ => Deviance : 0.336E+05     Dev*:   9.232    
  => GoF-index:  4.0         Sqrt(Residual/N)
- => N-P+C:  3626
+ => N-P+C:  3636
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1841E+06    0.2452E+07    0.2427E+07    0.8430E+07    0.5769E+05    0.5360E+14
+     0.1841E+06    0.2452E+07    0.2427E+07    0.8430E+07    0.5769E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   17.5      12.5      3.14      15.91    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   17.5      12.5      3.14      15.87    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.1054E+07    0.3685E+07
 
@@ -1131,41 +1045,41 @@
 
  => ---------> Pattern#  1
  => Phase:  1
- =>    Bragg R-factor:  4.03    
- =>    RF-factor     :  16.1    
+ =>    Bragg R-factor:  3.99    
+ =>    RF-factor     :  18.8    
 
 
-   Standard deviations have to be multiplied by: 3.2037
+   Standard deviations have to be multiplied by: 3.2042
    (correlated residuals) See references:
   -J.F.Berar & P.Lelann, J. Appl. Cryst. 24, 1-5 (1991) 
   -J.F.Berar, Acc. in Pow. Diff. II,NIST Sp.Pub. 846, 63(1992) 
 
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
  => CYCLE No.:    1
  =>  Convergence reached at this CYCLE !!!!
  =>  Parameter shifts set to zero
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Y5Al3O12 Nuclear                                                      
- ---------------------------------------------------------------------------------------
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: Y5Al3O12 Nuclear
+ ------------------------------------------------------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
 
- Ca1      0.46610 0.00000 0.00035  0.00000 0.00000 0.00000  0.25000 0.00000 0.00000  0.88721 0.00000 0.08067  1.50000 0.00000 0.00000
- Al1      0.25163 0.00000 0.00066  0.25163 0.00000 0.00066  0.25163 0.00000 0.00066  0.65230 0.00000 0.08796  1.00000 0.00000 0.00000
- Na1      0.08472 0.00000 0.00039  0.08472 0.00000 0.00039  0.08472 0.00000 0.00039  1.89168 0.00000 0.18806  1.00000 0.00000 0.00000
- F1       0.13748 0.00000 0.00027  0.30533 0.00000 0.00025  0.11947 0.00000 0.00027  0.89535 0.00000 0.06265  3.00000 0.00000 0.00000
- F2       0.36263 0.00000 0.00032  0.36333 0.00000 0.00033  0.18669 0.00000 0.00028  1.27175 0.00000 0.06380  3.00000 0.00000 0.00000
- F3       0.46120 0.00000 0.00017  0.46120 0.00000 0.00017  0.46120 0.00000 0.00017  0.78029 0.00000 0.08598  1.00000 0.00000 0.00000
+ Ca1      0.46610 0.00000 0.00000  0.00000 0.00000 0.00000  0.25000 0.00000 0.00000  0.88721 0.00000 0.00000  1.50000 0.00000 0.00000
+ Al1      0.25163 0.00000 0.00000  0.25163 0.00000 0.00000  0.25163 0.00000 0.00000  0.65230 0.00000 0.00000  1.00000 0.00000 0.00000
+ Na1      0.08472 0.00000 0.00000  0.08472 0.00000 0.00000  0.08472 0.00000 0.00000  1.89168 0.00000 0.00000  1.00000 0.00000 0.00000
+ F1       0.13748 0.00000 0.00000  0.30533 0.00000 0.00000  0.11947 0.00000 0.00000  0.89535 0.00000 0.00000  3.00000 0.00000 0.00000
+ F2       0.36263 0.00000 0.00000  0.36333 0.00000 0.00000  0.18669 0.00000 0.00000  1.27175 0.00000 0.00000  3.00000 0.00000 0.00000
+ F3       0.46120 0.00000 0.00000  0.46120 0.00000 0.00000  0.46120 0.00000 0.00000  0.78029 0.00000 0.00000  1.00000 0.00000 0.00000
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
- => Overall scale factor       :      4.019921303     0.000000000     0.018034674
+ => Overall scale factor       :      4.019303799     0.000000000     0.000000000
  => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
  => Overall temperature  factor:     0.000000    0.000000    0.000000
  => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-        15.695944    0.000000    0.774293
+        15.695900    0.000000    0.000000
          0.000000    0.000000    0.000000
          0.000000    0.000000    0.000000
 
@@ -1200,10 +1114,10 @@
          0.000000    0.000000    0.000000
 
  => T.O.F. Peak shape parameter a0,b0,a1,b1/kappa: 
-       -0.009276    0.000000    0.000975
-        0.006705    0.000000    0.000035
-        0.109622    0.000000    0.002327
-        0.009708    0.000000    0.000252
+       -0.009276    0.000000    0.000000
+        0.006705    0.000000    0.000000
+        0.109622    0.000000    0.000000
+        0.009708    0.000000    0.000000
 
  => Absorption parameters: 
        0.000000  0.000000  0.000000
@@ -1212,1487 +1126,1406 @@
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:   -13.8817    0.0000    0.5162
- => Background Parameters (linear interpolation)  ==>
-         522.602        0.00000        15.5406    
-         560.034        0.00000        25.9208    
-         291.166        0.00000        137.950    
-         548.970        0.00000        19.2368    
-         531.042        0.00000        17.0107    
-         495.874        0.00000        13.8839    
-         428.687        0.00000        10.4776    
-         452.526        0.00000        10.5145    
-         397.276        0.00000        9.40524    
-         469.990        0.00000        12.2401    
-         478.458        0.00000        9.39982    
-         380.179        0.00000        6.01405    
-         381.523        0.00000        5.36470    
-         378.662        0.00000        4.58697    
-         343.988        0.00000        4.01464    
-         328.399        0.00000        3.62948    
-         310.708        0.00000        3.52813    
-         322.950        0.00000        3.41431    
-         283.096        0.00000        3.37235    
-         272.688        0.00000        3.53230    
-         256.882        0.00000        3.57599    
-         259.866        0.00000        3.69924    
-         260.762        0.00000        3.93164    
-         262.221        0.00000        4.73808    
-         262.039        0.00000        5.79294    
-         268.181        0.00000        5.57003    
-         268.229        0.00000        7.06774    
-         262.421        0.00000        15.1621    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):  20773.12      0.00      0.35
+ => Zero-point:   -13.8813    0.0000    0.0000
+
+ => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):  20773.12      0.00      0.00
  => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.08      0.00      0.00
  => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00      0.00
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
- => R-Factors:   7.48      8.27     Chi2:  15.3     DW-Stat.:  0.3496   Patt#:  1
- => Expected :            2.11                                1.9044
- => Deviance : 0.338E+05     Dev*:   8.953    
+ => R-Factors:   7.48      8.27     Chi2:  15.2     DW-Stat.:  0.3495   Patt#:  1
+ => Expected :            2.12                                1.8991
+ => Deviance : 0.338E+05     Dev*:   8.929    
  => GoF-index:  3.9         Sqrt(Residual/N)
- => N-P+C:  3779
+ => N-P+C:  3789
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1865E+06    0.2492E+07    0.2467E+07    0.8453E+07    0.5778E+05    0.5360E+14
+     0.1865E+06    0.2492E+07    0.2467E+07    0.8453E+07    0.5778E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   17.7      12.5      3.20      15.29    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   17.7      12.5      3.21      15.25    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.1054E+07    0.3685E+07
 
- => N-sigma of the GoF:      621.173
+ => N-sigma of the GoF:      620.211
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
  => R-Factors:   7.51      8.27     Chi2:  15.9     DW-Stat.:  0.3501   Patt#:
- => Expected :            2.07                                1.9025
- => Deviance : 0.336E+05     Dev*:   9.257    
+ => Expected :            2.08                                1.8970
+ => Deviance : 0.336E+05     Dev*:   9.232    
  => GoF-index:  4.0         Sqrt(Residual/N)
- => N-P+C:  3626
+ => N-P+C:  3636
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1841E+06    0.2452E+07    0.2427E+07    0.8430E+07    0.5769E+05    0.5360E+14
+     0.1841E+06    0.2452E+07    0.2427E+07    0.8430E+07    0.5769E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   17.5      12.5      3.14      15.91    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   17.5      12.5      3.14      15.87    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.1054E+07    0.3685E+07
 
- => N-sigma of the GoF:      634.908
+ => N-sigma of the GoF:      633.890
 
  => Global user-weigthed Chi2 (Bragg contrib.):   15.9    
 
  => ---------> Pattern#  1
  => Phase:  1
- =>    Bragg R-factor:  4.03    
- =>    RF-factor     :  16.1    
+ =>    Bragg R-factor:  3.99    
+ =>    RF-factor     :  18.8    
 
- --------------------------------------------------------------------------------------------------------------
- Pattern#  1 Phase No.:   1 Phase name: Y5Al3O12 Nuclear              
- --------------------------------------------------------------------------------------------------------------
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
+ Pattern#  1 Phase No.:   1 Phase name: Y5Al3O12 Nuclear
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-      1   1     14  18   6    24     1.763    9030.235       22.5       10.8    147.690   1.763   0.000   0.000  0.434708  0.242900  0.278562  1.000000
-      2   1     18  14   6    24     1.763    9030.235        1.1        0.5      7.214   1.763   0.000   0.000  0.434708  0.242900  0.278562  1.000000
-      3   1     22   6   6    24     1.763    9030.235       26.3       12.6    172.109   1.763   0.000   0.000  0.434708  0.242900  0.278562  1.000000
-      4   1      4  23   3    24     1.769    9046.521       47.7        0.0     71.812   1.769   0.000   0.000  0.435492  0.242446  0.276610  1.000000
-      5   1      5  23   0    12     1.769    9046.521       21.0        0.0     31.573   1.769   0.000   0.000  0.435492  0.242446  0.276610  1.000000
-      6   1      8  21   7    24     1.769    9046.521      145.3        0.0    218.992   1.769   0.000   0.000  0.435492  0.242446  0.276610  1.000000
-      7   1     12  17  11    24     1.769    9046.521       93.5        0.0    140.863   1.769   0.000   0.000  0.435492  0.242446  0.276610  1.000000
-      8   1     12  19   7    24     1.769    9046.521       15.2        0.0     22.954   1.769   0.000   0.000  0.435492  0.242446  0.276610  1.000000
-      9   1     16  17   3    24     1.769    9046.521        5.6        0.0      8.493   1.769   0.000   0.000  0.435492  0.242446  0.276610  1.000000
-     10   1     17  12  11    24     1.769    9046.521      106.8        0.0    160.899   1.769   0.000   0.000  0.435492  0.242446  0.276610  1.000000
-     11   1     17  16   3    24     1.769    9046.521      134.8        0.0    203.053   1.769   0.000   0.000  0.435492  0.242446  0.276610  1.000000
-     12   1     19  12   7    24     1.769    9046.521       23.8        0.0     35.794   1.769   0.000   0.000  0.435492  0.242446  0.276610  1.000000
-     13   1     21   8   7    24     1.769    9046.521       50.1        0.0     75.433   1.769   0.000   0.000  0.435492  0.242446  0.276610  1.000000
-     14   1     23   4   3    24     1.769    9046.521       68.0        0.0    102.416   1.769   0.000   0.000  0.435492  0.242446  0.276610  1.000000
-     15   1     23   5   0    12     1.769    9046.521        5.1        0.0      7.726   1.769   0.000   0.000  0.435492  0.242446  0.276610  1.000000
-     16   1      8  22   2    24     1.776    9062.895       53.7        0.0    106.620   1.776   0.000   0.000  0.436280  0.241992  0.274665  1.000000
-     17   1     14  16  10    24     1.776    9062.895       68.5        0.0    136.083   1.776   0.000   0.000  0.436280  0.241992  0.274665  1.000000
-     18   1     16  14  10    24     1.776    9062.895      163.0        0.0    323.640   1.776   0.000   0.000  0.436280  0.241992  0.274665  1.000000
-     19   1     22   8   2    24     1.776    9062.895      182.4        0.0    362.098   1.776   0.000   0.000  0.436280  0.241992  0.274665  1.000000
-     20   1     10  21   3    24     1.782    9079.357       70.0        4.7    151.318   1.782   0.000   0.000  0.437072  0.241536  0.272726  1.000000
-     21   1     15  15  10    24     1.782    9079.357      138.1        9.2    298.563   1.782   0.000   0.000  0.437072  0.241536  0.272726  1.000000
-     22   1     15  17   6    24     1.782    9079.357       89.6        6.0    193.841   1.782   0.000   0.000  0.437072  0.241536  0.272726  1.000000
-     23   1     15  18   1    24     1.782    9079.357       16.3        1.1     35.208   1.782   0.000   0.000  0.437072  0.241536  0.272726  1.000000
-     24   1     17  15   6    24     1.782    9079.357       13.8        0.9     29.803   1.782   0.000   0.000  0.437072  0.241536  0.272726  1.000000
-     25   1     18  15   1    24     1.782    9079.357       72.1        4.8    155.952   1.782   0.000   0.000  0.437072  0.241536  0.272726  1.000000
-     26   1     21  10   3    24     1.782    9079.357       99.0        6.6    213.979   1.782   0.000   0.000  0.437072  0.241536  0.272726  1.000000
-     27   1      8  22   0    12     1.789    9095.910        0.4        1.7      0.899   1.789   0.000   0.000  0.437869  0.241080  0.270795  1.000000
-     28   1     12  20   2    24     1.789    9095.910       36.4      157.8     82.596   1.789   0.000   0.000  0.437869  0.241080  0.270795  1.000000
-     29   1     16  16   6    24     1.789    9095.910       26.3      113.9     59.619   1.789   0.000   0.000  0.437869  0.241080  0.270795  1.000000
-     30   1     20  12   2    24     1.789    9095.910      266.3     1154.0    604.046   1.789   0.000   0.000  0.437869  0.241080  0.270795  1.000000
-     31   1     22   8   0    12     1.789    9095.910      136.0      589.1    308.386   1.789   0.000   0.000  0.437869  0.241080  0.270795  1.000000
-     32   1      4  23   1    24     1.795    9112.556       29.9        0.0     30.550   1.795   0.000   0.000  0.438670  0.240622  0.268871  1.000000
-     33   1     11  19   8    24     1.795    9112.556      109.8        0.0    112.026   1.795   0.000   0.000  0.438670  0.240622  0.268871  1.000000
-     34   1     11  20   5    24     1.795    9112.556       60.4        0.0     61.632   1.795   0.000   0.000  0.438670  0.240622  0.268871  1.000000
-     35   1     13  16  11    24     1.795    9112.556       19.5        0.0     19.936   1.795   0.000   0.000  0.438670  0.240622  0.268871  1.000000
-     36   1     13  19   4    24     1.795    9112.556      139.5        0.0    142.408   1.795   0.000   0.000  0.438670  0.240622  0.268871  1.000000
-     37   1     16  13  11    24     1.795    9112.556       75.0        0.0     76.547   1.795   0.000   0.000  0.438670  0.240622  0.268871  1.000000
-     38   1     16  17   1    24     1.795    9112.556      179.0        0.0    182.699   1.795   0.000   0.000  0.438670  0.240622  0.268871  1.000000
-     39   1     17  16   1    24     1.795    9112.556       51.5        0.0     52.551   1.795   0.000   0.000  0.438670  0.240622  0.268871  1.000000
-     40   1     19  11   8    24     1.795    9112.556      120.3        0.0    122.826   1.795   0.000   0.000  0.438670  0.240622  0.268871  1.000000
-     41   1     19  13   4    24     1.795    9112.556      196.8        0.0    200.857   1.795   0.000   0.000  0.438670  0.240622  0.268871  1.000000
-     42   1     20  11   5    24     1.795    9112.556       66.5        0.0     67.828   1.795   0.000   0.000  0.438670  0.240622  0.268871  1.000000
-     43   1     23   4   1    24     1.795    9112.556       15.8        0.0     16.114   1.795   0.000   0.000  0.438670  0.240622  0.268871  1.000000
-     44   1     12  20   0    12     1.802    9129.291        6.4       12.3     31.379   1.802   0.000   0.000  0.439476  0.240164  0.266954  1.000000
-     45   1     16  12  12    24     1.802    9129.291      113.2      215.5    551.377   1.802   0.000   0.000  0.439476  0.240164  0.266954  1.000000
-     46   1     20  12   0    12     1.802    9129.291        1.6        3.0      7.633   1.802   0.000   0.000  0.439476  0.240164  0.266954  1.000000
-     47   1      3  23   2    24     1.809    9146.119       31.1       56.2     54.161   1.809   0.000   0.000  0.440286  0.239705  0.265044  1.000000
-     48   1      7  22   3    24     1.809    9146.119      124.1      224.4    216.213   1.809   0.000   0.000  0.440286  0.239705  0.265044  1.000000
-     49   1     10  19   9    24     1.809    9146.119      115.3      208.5    200.906   1.809   0.000   0.000  0.440286  0.239705  0.265044  1.000000
-     50   1     10  21   1    24     1.809    9146.119       52.0       94.0     90.615   1.809   0.000   0.000  0.440286  0.239705  0.265044  1.000000
-     51   1     13  18   7    24     1.809    9146.119       29.5       53.3     51.331   1.809   0.000   0.000  0.440286  0.239705  0.265044  1.000000
-     52   1     14  15  11    24     1.809    9146.119        1.9        3.5      3.327   1.809   0.000   0.000  0.440286  0.239705  0.265044  1.000000
-     53   1     15  14  11    24     1.809    9146.119      153.1      276.8    266.696   1.809   0.000   0.000  0.440286  0.239705  0.265044  1.000000
-     54   1     18  13   7    24     1.809    9146.119       54.0       97.7     94.103   1.809   0.000   0.000  0.440286  0.239705  0.265044  1.000000
-     55   1     19  10   9    24     1.809    9146.119       20.2       36.4     35.111   1.809   0.000   0.000  0.440286  0.239705  0.265044  1.000000
-     56   1     21  10   1    24     1.809    9146.119      115.8      209.3    201.636   1.809   0.000   0.000  0.440286  0.239705  0.265044  1.000000
-     57   1     22   7   3    24     1.809    9146.119       20.1       36.3     35.007   1.809   0.000   0.000  0.440286  0.239705  0.265044  1.000000
-     58   1     23   3   2    24     1.809    9146.119       59.8      108.0    104.108   1.809   0.000   0.000  0.440286  0.239705  0.265044  1.000000
-     59   1      3  23   0    12     1.822    9180.057        7.4        0.0     17.586   1.822   0.000   0.000  0.441920  0.238785  0.261245  1.000000
-     60   1      9  21   4    24     1.822    9180.057       55.7        0.0    132.470   1.822   0.000   0.000  0.441920  0.238785  0.261245  1.000000
+      1   1     14  18   6    24     1.763    9030.235       22.5       10.9    147.693   1.763   0.000   0.000  0.434708  0.242898  0.278562  1.000000
+      2   1     18  14   6    24     1.763    9030.235        1.1        0.5      7.214   1.763   0.000   0.000  0.434708  0.242898  0.278562  1.000000
+      3   1     22   6   6    24     1.763    9030.235       26.3       12.7    172.120   1.763   0.000   0.000  0.434708  0.242898  0.278562  1.000000
+      4   1      4  23   3    24     1.769    9046.521       47.7        0.0     71.862   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+      5   1      5  23   0    12     1.769    9046.521       21.0        0.0     31.549   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+      6   1      8  21   7    24     1.769    9046.521      145.5        0.0    219.066   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+      7   1     12  17  11    24     1.769    9046.521       93.6        0.0    140.864   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+      8   1     12  19   7    24     1.769    9046.521       15.3        0.0     22.968   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+      9   1     16  17   3    24     1.769    9046.521        5.6        0.0      8.500   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+     10   1     17  12  11    24     1.769    9046.521      106.9        0.0    160.975   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+     11   1     17  16   3    24     1.769    9046.521      134.9        0.0    203.054   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+     12   1     19  12   7    24     1.769    9046.521       23.8        0.0     35.808   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+     13   1     21   8   7    24     1.769    9046.521       50.1        0.0     75.471   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+     14   1     23   4   3    24     1.769    9046.521       68.0        0.0    102.441   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+     15   1     23   5   0    12     1.769    9046.521        5.1        0.0      7.738   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+     16   1      8  22   2    24     1.776    9062.894       53.7        0.0    106.617   1.776   0.000   0.000  0.436280  0.241989  0.274665  1.000000
+     17   1     14  16  10    24     1.776    9062.894       68.6        0.0    136.167   1.776   0.000   0.000  0.436280  0.241989  0.274665  1.000000
+     18   1     16  14  10    24     1.776    9062.894      163.1        0.0    323.654   1.776   0.000   0.000  0.436280  0.241989  0.274665  1.000000
+     19   1     22   8   2    24     1.776    9062.894      182.5        0.0    362.261   1.776   0.000   0.000  0.436280  0.241989  0.274665  1.000000
+     20   1     10  21   3    24     1.782    9079.358       70.0        4.8    151.370   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
+     21   1     15  15  10    24     1.782    9079.358      138.2        9.4    298.670   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
+     22   1     15  17   6    24     1.782    9079.358       89.7        6.1    193.905   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
+     23   1     15  18   1    24     1.782    9079.358       16.3        1.1     35.177   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
+     24   1     17  15   6    24     1.782    9079.358       13.8        0.9     29.819   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
+     25   1     18  15   1    24     1.782    9079.358       72.1        4.9    155.933   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
+     26   1     21  10   3    24     1.782    9079.358       99.1        6.8    214.084   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
+     27   1      8  22   0    12     1.789    9095.911        0.4        1.7      0.892   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
+     28   1     12  20   2    24     1.789    9095.911       36.5      157.9     82.633   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
+     29   1     16  16   6    24     1.789    9095.911       26.3      113.9     59.640   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
+     30   1     20  12   2    24     1.789    9095.911      266.6     1154.5    604.266   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
+     31   1     22   8   0    12     1.789    9095.911      136.1      589.4    308.482   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
+     32   1      4  23   1    24     1.795    9112.555       30.0        0.0     30.560   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     33   1     11  19   8    24     1.795    9112.555      109.9        0.0    112.087   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     34   1     11  20   5    24     1.795    9112.555       60.4        0.0     61.651   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     35   1     13  16  11    24     1.795    9112.555       19.6        0.0     19.944   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     36   1     13  19   4    24     1.795    9112.555      139.6        0.0    142.428   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     37   1     16  13  11    24     1.795    9112.555       75.0        0.0     76.527   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     38   1     16  17   1    24     1.795    9112.555      179.2        0.0    182.784   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     39   1     17  16   1    24     1.795    9112.555       51.5        0.0     52.578   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     40   1     19  11   8    24     1.795    9112.555      120.4        0.0    122.797   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     41   1     19  13   4    24     1.795    9112.555      197.0        0.0    200.912   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     42   1     20  11   5    24     1.795    9112.555       66.5        0.0     67.842   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     43   1     23   4   1    24     1.795    9112.555       15.8        0.0     16.110   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     44   1     12  20   0    12     1.802    9129.291        6.5       12.3     31.398   1.802   0.000   0.000  0.439476  0.240162  0.266954  1.000000
+     45   1     16  12  12    24     1.802    9129.291      113.3      215.9    551.573   1.802   0.000   0.000  0.439476  0.240162  0.266954  1.000000
+     46   1     20  12   0    12     1.802    9129.291        1.6        3.0      7.643   1.802   0.000   0.000  0.439476  0.240162  0.266954  1.000000
+     47   1      3  23   2    24     1.809    9146.119       31.1       56.2     54.142   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
+     48   1      7  22   3    24     1.809    9146.119      124.2      224.6    216.300   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
+     49   1     10  19   9    24     1.809    9146.119      115.4      208.6    200.898   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
+     50   1     10  21   1    24     1.809    9146.119       52.1       94.1     90.645   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
+     51   1     13  18   7    24     1.809    9146.119       29.5       53.4     51.378   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
+     52   1     14  15  11    24     1.809    9146.119        1.9        3.5      3.326   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
+     53   1     15  14  11    24     1.809    9146.119      153.2      277.0    266.734   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
+     54   1     18  13   7    24     1.809    9146.119       54.1       97.7     94.127   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
+     55   1     19  10   9    24     1.809    9146.119       20.2       36.5     35.149   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
+     56   1     21  10   1    24     1.809    9146.119      115.8      209.4    201.656   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
+     57   1     22   7   3    24     1.809    9146.119       20.1       36.3     35.000   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
+     58   1     23   3   2    24     1.809    9146.119       59.8      108.2    104.156   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
+     59   1      3  23   0    12     1.822    9180.057        7.4        0.0     17.588   1.822   0.000   0.000  0.441920  0.238783  0.261245  1.000000
+     60   1      9  21   4    24     1.822    9180.057       55.8        0.0    132.522   1.822   0.000   0.000  0.441920  0.238783  0.261245  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-     61   1     13  15  12    24     1.822    9180.057      126.6        0.0    301.172   1.822   0.000   0.000  0.441920  0.238785  0.261245  1.000000
-     62   1     15  13  12    24     1.822    9180.057        1.0        0.0      2.394   1.822   0.000   0.000  0.441920  0.238785  0.261245  1.000000
-     63   1     21   9   4    24     1.822    9180.057      129.0        0.0    306.689   1.822   0.000   0.000  0.441920  0.238785  0.261245  1.000000
-     64   1     23   3   0    12     1.822    9180.057      203.4        0.0    483.795   1.822   0.000   0.000  0.441920  0.238785  0.261245  1.000000
-     65   1      6  22   4    24     1.829    9197.167       50.9      159.4     78.479   1.829   0.000   0.000  0.442744  0.238323  0.259356  1.000000
-     66   1     10  20   6    24     1.829    9197.167      130.7      409.8    201.714   1.829   0.000   0.000  0.442744  0.238323  0.259356  1.000000
-     67   1     14  14  12    24     1.829    9197.167       67.4      211.2    103.974   1.829   0.000   0.000  0.442744  0.238323  0.259356  1.000000
-     68   1     14  18   4    24     1.829    9197.167      207.1      649.2    319.521   1.829   0.000   0.000  0.442744  0.238323  0.259356  1.000000
-     69   1     18  14   4    24     1.829    9197.167       20.1       62.9     30.972   1.829   0.000   0.000  0.442744  0.238323  0.259356  1.000000
-     70   1     20  10   6    24     1.829    9197.167       84.2      264.1    129.967   1.829   0.000   0.000  0.442744  0.238323  0.259356  1.000000
-     71   1     22   6   4    24     1.829    9197.167      151.5      474.9    233.719   1.829   0.000   0.000  0.442744  0.238323  0.259356  1.000000
-     72   1      2  23   1    24     1.836    9214.374      498.1      484.1    344.684   1.836   0.000   0.000  0.443572  0.237861  0.257474  1.000000
-     73   1      7  22   1    24     1.836    9214.374      239.0      232.3    165.383   1.836   0.000   0.000  0.443572  0.237861  0.257474  1.000000
-     74   1     13  19   2    24     1.836    9214.374       32.6       31.6     22.527   1.836   0.000   0.000  0.443572  0.237861  0.257474  1.000000
-     75   1     14  13  13    24     1.836    9214.374      264.6      257.2    183.099   1.836   0.000   0.000  0.443572  0.237861  0.257474  1.000000
-     76   1     14  17   7    24     1.836    9214.374       37.4       36.3     25.851   1.836   0.000   0.000  0.443572  0.237861  0.257474  1.000000
-     77   1     17  14   7    24     1.836    9214.374       52.9       51.4     36.603   1.836   0.000   0.000  0.443572  0.237861  0.257474  1.000000
-     78   1     19  13   2    24     1.836    9214.374      360.6      350.5    249.576   1.836   0.000   0.000  0.443572  0.237861  0.257474  1.000000
-     79   1     22   5   5    24     1.836    9214.374      365.9      355.7    253.241   1.836   0.000   0.000  0.443572  0.237861  0.257474  1.000000
-     80   1     22   7   1    24     1.836    9214.374       53.4       51.9     36.941   1.836   0.000   0.000  0.443572  0.237861  0.257474  1.000000
-     81   1     23   2   1    24     1.836    9214.374       19.1       18.6     13.221   1.836   0.000   0.000  0.443572  0.237861  0.257474  1.000000
-     82   1     12  18   8    24     1.843    9231.679      359.1        0.0    664.363   1.843   0.000   0.000  0.444405  0.237398  0.255599  1.000000
-     83   1     18  12   8    24     1.843    9231.679       14.8        0.0     27.382   1.843   0.000   0.000  0.444405  0.237398  0.255599  1.000000
-     84   1      1  23   0    12     1.849    9249.080        7.1        0.0      6.334   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     85   1      8  21   5    24     1.849    9249.080      101.3        0.0     90.621   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     86   1      9  20   7    24     1.849    9249.080       47.1        0.0     42.116   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     87   1     11  20   3    24     1.849    9249.080      230.1        0.0    205.794   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     88   1     12  19   5    24     1.849    9249.080       78.2        0.0     69.928   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     89   1     13  19   0    12     1.849    9249.080       20.4        0.0     18.281   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     90   1     15  16   7    24     1.849    9249.080      230.7        0.0    206.323   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     91   1     15  17   4    24     1.849    9249.080      106.0        0.0     94.803   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     92   1     16  15   7    24     1.849    9249.080      181.2        0.0    162.063   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     93   1     17  15   4    24     1.849    9249.080       87.4        0.0     78.182   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     94   1     19  12   5    24     1.849    9249.080       15.9        0.0     14.250   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     95   1     19  13   0    12     1.849    9249.080       32.2        0.0     28.801   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     96   1     20   9   7    24     1.849    9249.080        6.7        0.0      5.982   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     97   1     20  11   3    24     1.849    9249.080       22.8        0.0     20.429   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     98   1     21   8   5    24     1.849    9249.080       97.0        0.0     86.739   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-     99   1     23   1   0    12     1.849    9249.080       18.8        0.0     16.827   1.849   0.000   0.000  0.445243  0.236934  0.253731  1.000000
-    100   1     16  16   4    24     1.856    9266.581      203.0        0.0    349.555   1.856   0.000   0.000  0.446085  0.236469  0.251870  1.000000
-    101   1     20   8   8    24     1.856    9266.581      255.6        0.0    440.274   1.856   0.000   0.000  0.446085  0.236469  0.251870  1.000000
-    102   1      7  21   6    24     1.864    9284.182      188.4       80.5    179.268   1.864   0.000   0.000  0.446932  0.236003  0.250016  1.000000
-    103   1      9  21   2    24     1.864    9284.182       52.8       22.5     50.210   1.864   0.000   0.000  0.446932  0.236003  0.250016  1.000000
-    104   1     11  18   9    24     1.864    9284.182       74.9       32.0     71.324   1.864   0.000   0.000  0.446932  0.236003  0.250016  1.000000
-    105   1     18  11   9    24     1.864    9284.182      491.7      210.1    468.001   1.864   0.000   0.000  0.446932  0.236003  0.250016  1.000000
-    106   1     21   7   6    24     1.864    9284.182      114.1       48.7    108.592   1.864   0.000   0.000  0.446932  0.236003  0.250016  1.000000
-    107   1     21   9   2    24     1.864    9284.182      226.2       96.6    215.265   1.864   0.000   0.000  0.446932  0.236003  0.250016  1.000000
-    108   1      6  22   2    24     1.871    9301.882      345.5      451.9    612.953   1.871   0.000   0.000  0.447784  0.235536  0.248170  1.000000
-    109   1     14  18   2    24     1.871    9301.882       11.5       15.1     20.452   1.871   0.000   0.000  0.447784  0.235536  0.248170  1.000000
-    110   1     18  10  10    24     1.871    9301.882       57.9       75.7    102.685   1.871   0.000   0.000  0.447784  0.235536  0.248170  1.000000
-    111   1     18  14   2    24     1.871    9301.882        7.3        9.6     13.004   1.871   0.000   0.000  0.447784  0.235536  0.248170  1.000000
-    112   1     22   6   2    24     1.871    9301.882      136.5      178.5    242.076   1.871   0.000   0.000  0.447784  0.235536  0.248170  1.000000
-    113   1      9  21   0    12     1.878    9319.685       32.7       80.2    126.610   1.878   0.000   0.000  0.448641  0.235068  0.246330  1.000000
-    114   1     11  20   1    24     1.878    9319.685       12.5       30.6     48.328   1.878   0.000   0.000  0.448641  0.235068  0.246330  1.000000
-    115   1     13  17   8    24     1.878    9319.685       19.2       47.0     74.227   1.878   0.000   0.000  0.448641  0.235068  0.246330  1.000000
-    116   1     17  13   8    24     1.878    9319.685       33.7       82.7    130.533   1.878   0.000   0.000  0.448641  0.235068  0.246330  1.000000
-    117   1     20  11   1    24     1.878    9319.685      131.8      323.2    510.098   1.878   0.000   0.000  0.448641  0.235068  0.246330  1.000000
-    118   1     21   9   0    12     1.878    9319.685        1.9        4.6      7.296   1.878   0.000   0.000  0.448641  0.235068  0.246330  1.000000
-    119   1      6  22   0    12     1.885    9337.591       21.7      165.0    106.575   1.885   0.000   0.000  0.449503  0.234600  0.244497  1.000000
-    120   1     14  18   0    12     1.885    9337.591        4.8       36.1     23.293   1.885   0.000   0.000  0.449503  0.234600  0.244497  1.000000
+     61   1     13  15  12    24     1.822    9180.057      126.7        0.0    301.219   1.822   0.000   0.000  0.441920  0.238783  0.261245  1.000000
+     62   1     15  13  12    24     1.822    9180.057        1.0        0.0      2.389   1.822   0.000   0.000  0.441920  0.238783  0.261245  1.000000
+     63   1     21   9   4    24     1.822    9180.057      129.1        0.0    306.748   1.822   0.000   0.000  0.441920  0.238783  0.261245  1.000000
+     64   1     23   3   0    12     1.822    9180.057      203.6        0.0    483.849   1.822   0.000   0.000  0.441920  0.238783  0.261245  1.000000
+     65   1      6  22   4    24     1.829    9197.167       50.9      159.5     78.505   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
+     66   1     10  20   6    24     1.829    9197.167      130.9      410.1    201.809   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
+     67   1     14  14  12    24     1.829    9197.167       67.5      211.4    104.034   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
+     68   1     14  18   4    24     1.829    9197.167      207.2      649.4    319.545   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
+     69   1     18  14   4    24     1.829    9197.167       20.1       63.0     30.985   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
+     70   1     20  10   6    24     1.829    9197.167       84.3      264.2    130.005   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
+     71   1     22   6   4    24     1.829    9197.167      151.6      475.0    233.733   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
+     72   1      2  23   1    24     1.836    9214.374      498.5      484.3    344.747   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     73   1      7  22   1    24     1.836    9214.374      239.2      232.4    165.441   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     74   1     13  19   2    24     1.836    9214.374       32.6       31.6     22.521   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     75   1     14  13  13    24     1.836    9214.374      264.8      257.2    183.128   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     76   1     14  17   7    24     1.836    9214.374       37.4       36.3     25.860   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     77   1     17  14   7    24     1.836    9214.374       53.0       51.4     36.619   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     78   1     19  13   2    24     1.836    9214.374      361.0      350.7    249.670   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     79   1     22   5   5    24     1.836    9214.374      366.3      355.8    253.309   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     80   1     22   7   1    24     1.836    9214.374       53.4       51.9     36.944   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     81   1     23   2   1    24     1.836    9214.374       19.1       18.6     13.222   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     82   1     12  18   8    24     1.843    9231.678      359.4        0.0    664.575   1.843   0.000   0.000  0.444405  0.237395  0.255599  1.000000
+     83   1     18  12   8    24     1.843    9231.678       14.8        0.0     27.346   1.843   0.000   0.000  0.444405  0.237395  0.255599  1.000000
+     84   1      1  23   0    12     1.849    9249.080        7.1        0.0      6.331   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     85   1      8  21   5    24     1.849    9249.080      101.4        0.0     90.672   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     86   1      9  20   7    24     1.849    9249.080       47.2        0.0     42.151   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     87   1     11  20   3    24     1.849    9249.080      230.3        0.0    205.843   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     88   1     12  19   5    24     1.849    9249.080       78.2        0.0     69.929   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     89   1     13  19   0    12     1.849    9249.080       20.5        0.0     18.291   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     90   1     15  16   7    24     1.849    9249.080      230.9        0.0    206.428   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     91   1     15  17   4    24     1.849    9249.080      106.1        0.0     94.840   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     92   1     16  15   7    24     1.849    9249.080      181.4        0.0    162.127   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     93   1     17  15   4    24     1.849    9249.080       87.5        0.0     78.195   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     94   1     19  12   5    24     1.849    9249.080       15.9        0.0     14.253   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     95   1     19  13   0    12     1.849    9249.080       32.2        0.0     28.825   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     96   1     20   9   7    24     1.849    9249.080        6.7        0.0      5.985   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     97   1     20  11   3    24     1.849    9249.080       22.8        0.0     20.413   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     98   1     21   8   5    24     1.849    9249.080       97.0        0.0     86.743   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     99   1     23   1   0    12     1.849    9249.080       18.8        0.0     16.833   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+    100   1     16  16   4    24     1.856    9266.581      203.1        0.0    349.658   1.856   0.000   0.000  0.446085  0.236466  0.251870  1.000000
+    101   1     20   8   8    24     1.856    9266.581      255.8        0.0    440.406   1.856   0.000   0.000  0.446085  0.236466  0.251870  1.000000
+    102   1      7  21   6    24     1.864    9284.182      188.5       80.6    179.332   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
+    103   1      9  21   2    24     1.864    9284.182       52.8       22.6     50.214   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
+    104   1     11  18   9    24     1.864    9284.182       75.0       32.1     71.334   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
+    105   1     18  11   9    24     1.864    9284.182      492.2      210.4    468.160   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
+    106   1     21   7   6    24     1.864    9284.182      114.2       48.8    108.594   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
+    107   1     21   9   2    24     1.864    9284.182      226.4       96.8    215.378   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
+    108   1      6  22   2    24     1.871    9301.882      345.9      452.2    613.083   1.871   0.000   0.000  0.447784  0.235534  0.248170  1.000000
+    109   1     14  18   2    24     1.871    9301.882       11.5       15.1     20.437   1.871   0.000   0.000  0.447784  0.235534  0.248170  1.000000
+    110   1     18  10  10    24     1.871    9301.882       57.9       75.8    102.701   1.871   0.000   0.000  0.447784  0.235534  0.248170  1.000000
+    111   1     18  14   2    24     1.871    9301.882        7.3        9.6     13.012   1.871   0.000   0.000  0.447784  0.235534  0.248170  1.000000
+    112   1     22   6   2    24     1.871    9301.882      136.6      178.7    242.229   1.871   0.000   0.000  0.447784  0.235534  0.248170  1.000000
+    113   1      9  21   0    12     1.878    9319.684       32.7       80.3    126.630   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
+    114   1     11  20   1    24     1.878    9319.684       12.5       30.7     48.364   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
+    115   1     13  17   8    24     1.878    9319.684       19.2       47.1     74.237   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
+    116   1     17  13   8    24     1.878    9319.684       33.7       82.8    130.510   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
+    117   1     20  11   1    24     1.878    9319.684      131.9      323.6    510.263   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
+    118   1     21   9   0    12     1.878    9319.684        1.9        4.6      7.304   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
+    119   1      6  22   0    12     1.885    9337.590       21.8      165.2    106.672   1.885   0.000   0.000  0.449503  0.234598  0.244497  1.000000
+    120   1     14  18   0    12     1.885    9337.590        4.8       36.1     23.295   1.885   0.000   0.000  0.449503  0.234598  0.244497  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    121   1     18  14   0    12     1.885    9337.591       78.8      598.1    386.390   1.885   0.000   0.000  0.449503  0.234600  0.244497  1.000000
-    122   1     22   6   0    12     1.885    9337.591       67.4      511.4    330.354   1.885   0.000   0.000  0.449503  0.234600  0.244497  1.000000
-    123   1      5  22   3    24     1.892    9355.599      165.5        0.0    183.501   1.892   0.000   0.000  0.450370  0.234130  0.242672  1.000000
-    124   1     11  19   6    24     1.892    9355.599       47.4        0.0     52.531   1.892   0.000   0.000  0.450370  0.234130  0.242672  1.000000
-    125   1     13  18   5    24     1.892    9355.599      167.8        0.0    186.120   1.892   0.000   0.000  0.450370  0.234130  0.242672  1.000000
-    126   1     15  17   2    24     1.892    9355.599      145.8        0.0    161.694   1.892   0.000   0.000  0.450370  0.234130  0.242672  1.000000
-    127   1     17  15   2    24     1.892    9355.599        0.7        0.0      0.767   1.892   0.000   0.000  0.450370  0.234130  0.242672  1.000000
-    128   1     18  13   5    24     1.892    9355.599      134.2        0.0    148.790   1.892   0.000   0.000  0.450370  0.234130  0.242672  1.000000
-    129   1     19  11   6    24     1.892    9355.599      102.3        0.0    113.420   1.892   0.000   0.000  0.450370  0.234130  0.242672  1.000000
-    130   1     22   5   3    24     1.892    9355.599       45.2        0.0     50.144   1.892   0.000   0.000  0.450370  0.234130  0.242672  1.000000
-    131   1     10  20   4    24     1.900    9373.713       30.3        0.0     25.743   1.900   0.000   0.000  0.451242  0.233660  0.240853  1.000000
-    132   1     14  16   8    24     1.900    9373.713      122.7        0.0    104.242   1.900   0.000   0.000  0.451242  0.233660  0.240853  1.000000
-    133   1     16  14   8    24     1.900    9373.713      576.3        0.0    489.758   1.900   0.000   0.000  0.451242  0.233660  0.240853  1.000000
-    134   1     16  16   2    24     1.900    9373.713        7.5        0.0      6.363   1.900   0.000   0.000  0.451242  0.233660  0.240853  1.000000
-    135   1     20  10   4    24     1.900    9373.713      366.5        0.0    311.504   1.900   0.000   0.000  0.451242  0.233660  0.240853  1.000000
-    136   1     22   4   4    24     1.900    9373.713       66.1        0.0     56.168   1.900   0.000   0.000  0.451242  0.233660  0.240853  1.000000
-    137   1      8  21   3    24     1.907    9391.933      147.1      134.9    200.676   1.907   0.000   0.000  0.452119  0.233189  0.239041  1.000000
-    138   1     12  17   9    24     1.907    9391.933       45.8       42.0     62.465   1.907   0.000   0.000  0.452119  0.233189  0.239041  1.000000
-    139   1     12  19   3    24     1.907    9391.933       11.0       10.1     15.060   1.907   0.000   0.000  0.452119  0.233189  0.239041  1.000000
-    140   1     15  15   8    24     1.907    9391.933      150.0      137.5    204.637   1.907   0.000   0.000  0.452119  0.233189  0.239041  1.000000
-    141   1     15  17   0    12     1.907    9391.933       17.6       16.2     24.069   1.907   0.000   0.000  0.452119  0.233189  0.239041  1.000000
-    142   1     17  12   9    24     1.907    9391.933      119.0      109.1    162.266   1.907   0.000   0.000  0.452119  0.233189  0.239041  1.000000
-    143   1     17  15   0    12     1.907    9391.933      110.0      100.8    149.995   1.907   0.000   0.000  0.452119  0.233189  0.239041  1.000000
-    144   1     19  12   3    24     1.907    9391.933       51.1       46.8     69.635   1.907   0.000   0.000  0.452119  0.233189  0.239041  1.000000
-    145   1     21   8   3    24     1.907    9391.933       92.3       84.6    125.888   1.907   0.000   0.000  0.452119  0.233189  0.239041  1.000000
-    146   1     16  16   0    12     1.914    9410.258      297.9      283.7    767.440   1.914   0.000   0.000  0.453002  0.232717  0.237237  1.000000
-    147   1      5  22   1    24     1.922    9428.690       27.5        0.5     24.243   1.922   0.000   0.000  0.453889  0.232243  0.235439  1.000000
-    148   1     10  19   7    24     1.922    9428.690      310.2        6.1    273.197   1.922   0.000   0.000  0.453889  0.232243  0.235439  1.000000
-    149   1     11  17  10    24     1.922    9428.690      714.1       14.0    628.865   1.922   0.000   0.000  0.453889  0.232243  0.235439  1.000000
-    150   1     14  17   5    24     1.922    9428.690       58.8        1.1     51.776   1.922   0.000   0.000  0.453889  0.232243  0.235439  1.000000
-    151   1     17  11  10    24     1.922    9428.690       30.5        0.6     26.843   1.922   0.000   0.000  0.453889  0.232243  0.235439  1.000000
-    152   1     17  14   5    24     1.922    9428.690       33.3        0.7     29.357   1.922   0.000   0.000  0.453889  0.232243  0.235439  1.000000
-    153   1     19  10   7    24     1.922    9428.690       45.0        0.9     39.605   1.922   0.000   0.000  0.453889  0.232243  0.235439  1.000000
-    154   1     22   5   1    24     1.922    9428.690      280.3        5.5    246.818   1.922   0.000   0.000  0.453889  0.232243  0.235439  1.000000
-    155   1      7  21   4    24     1.937    9465.885      167.6      123.8    110.459   1.937   0.000   0.000  0.455679  0.231294  0.231865  1.000000
-    156   1      8  21   1    24     1.937    9465.885      180.9      133.6    119.227   1.937   0.000   0.000  0.455679  0.231294  0.231865  1.000000
-    157   1      9  19   8    24     1.937    9465.885       50.7       37.4     33.398   1.937   0.000   0.000  0.455679  0.231294  0.231865  1.000000
-    158   1      9  20   5    24     1.937    9465.885       23.0       17.0     15.149   1.937   0.000   0.000  0.455679  0.231294  0.231865  1.000000
-    159   1     12  19   1    24     1.937    9465.885      132.1       97.5     87.041   1.937   0.000   0.000  0.455679  0.231294  0.231865  1.000000
-    160   1     13  16   9    24     1.937    9465.885      119.3       88.1     78.602   1.937   0.000   0.000  0.455679  0.231294  0.231865  1.000000
-    161   1     15  16   5    24     1.937    9465.885      185.0      136.7    121.935   1.937   0.000   0.000  0.455679  0.231294  0.231865  1.000000
-    162   1     16  13   9    24     1.937    9465.885      447.0      330.2    294.593   1.937   0.000   0.000  0.455679  0.231294  0.231865  1.000000
-    163   1     16  15   5    24     1.937    9465.885      177.6      131.2    117.060   1.937   0.000   0.000  0.455679  0.231294  0.231865  1.000000
-    164   1     19   9   8    24     1.937    9465.885       59.8       44.1     39.393   1.937   0.000   0.000  0.455679  0.231294  0.231865  1.000000
-    165   1     19  12   1    24     1.937    9465.885       59.9       44.2     39.463   1.937   0.000   0.000  0.455679  0.231294  0.231865  1.000000
-    166   1     20   9   5    24     1.937    9465.885       77.6       57.3     51.141   1.937   0.000   0.000  0.455679  0.231294  0.231865  1.000000
-    167   1     21   7   4    24     1.937    9465.885       82.5       60.9     54.346   1.937   0.000   0.000  0.455679  0.231294  0.231865  1.000000
-    168   1     21   8   1    24     1.937    9465.885      396.8      293.1    261.513   1.937   0.000   0.000  0.455679  0.231294  0.231865  1.000000
-    169   1      4  22   2    24     1.945    9484.647      287.1      154.1    183.309   1.945   0.000   0.000  0.456583  0.230819  0.230089  1.000000
-    170   1     10  20   2    24     1.945    9484.647      383.8      206.0    245.075   1.945   0.000   0.000  0.456583  0.230819  0.230089  1.000000
-    171   1     12  18   6    24     1.945    9484.647      290.5      155.9    185.506   1.945   0.000   0.000  0.456583  0.230819  0.230089  1.000000
-    172   1     18  12   6    24     1.945    9484.647      613.2      329.1    391.512   1.945   0.000   0.000  0.456583  0.230819  0.230089  1.000000
-    173   1     20  10   2    24     1.945    9484.647        6.2        3.3      3.976   1.945   0.000   0.000  0.456583  0.230819  0.230089  1.000000
-    174   1     22   4   2    24     1.945    9484.647      131.8       70.7     84.135   1.945   0.000   0.000  0.456583  0.230819  0.230089  1.000000
-    175   1      6  21   5    24     1.953    9503.523      144.8      150.8    114.544   1.953   0.000   0.000  0.457491  0.230342  0.228320  1.000000
-    176   1     13  18   3    24     1.953    9503.523      143.6      149.6    113.607   1.953   0.000   0.000  0.457491  0.230342  0.228320  1.000000
-    177   1     14  15   9    24     1.953    9503.523      448.9      467.5    355.059   1.953   0.000   0.000  0.457491  0.230342  0.228320  1.000000
-    178   1     15  14   9    24     1.953    9503.523       21.5       22.3     16.967   1.953   0.000   0.000  0.457491  0.230342  0.228320  1.000000
-    179   1     18  13   3    24     1.953    9503.523      356.4      371.2    281.889   1.953   0.000   0.000  0.457491  0.230342  0.228320  1.000000
-    180   1     21   6   5    24     1.953    9503.523      275.1      286.5    217.566   1.953   0.000   0.000  0.457491  0.230342  0.228320  1.000000
+    121   1     18  14   0    12     1.885    9337.590       78.9      598.3    386.400   1.885   0.000   0.000  0.449503  0.234598  0.244497  1.000000
+    122   1     22   6   0    12     1.885    9337.590       67.4      511.7    330.488   1.885   0.000   0.000  0.449503  0.234598  0.244497  1.000000
+    123   1      5  22   3    24     1.892    9355.600      165.6        0.0    183.507   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    124   1     11  19   6    24     1.892    9355.600       47.4        0.0     52.550   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    125   1     13  18   5    24     1.892    9355.600      168.0        0.0    186.188   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    126   1     15  17   2    24     1.892    9355.600      145.9        0.0    161.750   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    127   1     17  15   2    24     1.892    9355.600        0.7        0.0      0.765   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    128   1     18  13   5    24     1.892    9355.600      134.3        0.0    148.857   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    129   1     19  11   6    24     1.892    9355.600      102.3        0.0    113.444   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    130   1     22   5   3    24     1.892    9355.600       45.3        0.0     50.180   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    131   1     10  20   4    24     1.900    9373.712       30.3        0.0     25.736   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
+    132   1     14  16   8    24     1.900    9373.712      122.8        0.0    104.278   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
+    133   1     16  14   8    24     1.900    9373.712      576.8        0.0    489.863   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
+    134   1     16  16   2    24     1.900    9373.712        7.5        0.0      6.368   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
+    135   1     20  10   4    24     1.900    9373.712      366.9        0.0    311.625   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
+    136   1     22   4   4    24     1.900    9373.712       66.1        0.0     56.165   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
+    137   1      8  21   3    24     1.907    9391.933      147.2      135.0    200.701   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
+    138   1     12  17   9    24     1.907    9391.933       45.8       42.0     62.462   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
+    139   1     12  19   3    24     1.907    9391.933       11.1       10.1     15.074   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
+    140   1     15  15   8    24     1.907    9391.933      150.2      137.6    204.677   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
+    141   1     15  17   0    12     1.907    9391.933       17.7       16.2     24.093   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
+    142   1     17  12   9    24     1.907    9391.933      119.1      109.2    162.332   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
+    143   1     17  15   0    12     1.907    9391.933      110.1      100.9    150.051   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
+    144   1     19  12   3    24     1.907    9391.933       51.1       46.8     69.636   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
+    145   1     21   8   3    24     1.907    9391.933       92.4       84.7    125.972   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
+    146   1     16  16   0    12     1.914    9410.258      298.1      284.2    767.707   1.914   0.000   0.000  0.453002  0.232714  0.237237  1.000000
+    147   1      5  22   1    24     1.922    9428.691       27.5        0.6     24.247   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    148   1     10  19   7    24     1.922    9428.691      310.5        6.2    273.283   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    149   1     11  17  10    24     1.922    9428.691      714.8       14.4    629.110   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    150   1     14  17   5    24     1.922    9428.691       58.8        1.2     51.786   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    151   1     17  11  10    24     1.922    9428.691       30.5        0.6     26.858   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    152   1     17  14   5    24     1.922    9428.691       33.4        0.7     29.372   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    153   1     19  10   7    24     1.922    9428.691       45.0        0.9     39.632   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    154   1     22   5   1    24     1.922    9428.691      280.5        5.6    246.908   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    155   1      7  21   4    24     1.937    9465.885      167.8      123.9    110.508   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    156   1      8  21   1    24     1.937    9465.885      181.1      133.7    119.281   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    157   1      9  19   8    24     1.937    9465.885       50.7       37.5     33.416   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    158   1      9  20   5    24     1.937    9465.885       23.0       17.0     15.155   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    159   1     12  19   1    24     1.937    9465.885      132.2       97.6     87.085   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    160   1     13  16   9    24     1.937    9465.885      119.3       88.1     78.616   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    161   1     15  16   5    24     1.937    9465.885      185.2      136.8    121.970   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    162   1     16  13   9    24     1.937    9465.885      447.3      330.4    294.656   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    163   1     16  15   5    24     1.937    9465.885      177.8      131.3    117.092   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    164   1     19   9   8    24     1.937    9465.885       59.8       44.2     39.399   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    165   1     19  12   1    24     1.937    9465.885       59.9       44.3     39.475   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    166   1     20   9   5    24     1.937    9465.885       77.7       57.4     51.163   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    167   1     21   7   4    24     1.937    9465.885       82.6       61.0     54.385   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    168   1     21   8   1    24     1.937    9465.885      397.0      293.2    261.540   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    169   1      4  22   2    24     1.945    9484.647      287.3      154.2    183.330   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
+    170   1     10  20   2    24     1.945    9484.647      384.2      206.2    245.118   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
+    171   1     12  18   6    24     1.945    9484.647      290.9      156.1    185.577   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
+    172   1     18  12   6    24     1.945    9484.647      613.9      329.4    391.667   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
+    173   1     20  10   2    24     1.945    9484.647        6.2        3.3      3.974   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
+    174   1     22   4   2    24     1.945    9484.647      131.9       70.8     84.184   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
+    175   1      6  21   5    24     1.953    9503.522      144.9      150.9    114.558   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
+    176   1     13  18   3    24     1.953    9503.522      143.8      149.7    113.659   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
+    177   1     14  15   9    24     1.953    9503.522      449.2      467.8    355.111   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
+    178   1     15  14   9    24     1.953    9503.522       21.5       22.4     16.974   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
+    179   1     18  13   3    24     1.953    9503.522      356.7      371.4    281.945   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
+    180   1     21   6   5    24     1.953    9503.522      275.3      286.7    217.635   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    181   1     22   3   3    24     1.953    9503.523       41.4       43.1     32.708   1.953   0.000   0.000  0.457491  0.230342  0.228320  1.000000
-    182   1      4  22   0    12     1.960    9522.511      331.4      437.0    253.773   1.960   0.000   0.000  0.458405  0.229864  0.226557  1.000000
-    183   1      8  20   6    24     1.960    9522.511       57.1       75.4     43.762   1.960   0.000   0.000  0.458405  0.229864  0.226557  1.000000
-    184   1     10  20   0    12     1.960    9522.511      153.2      202.0    117.338   1.960   0.000   0.000  0.458405  0.229864  0.226557  1.000000
-    185   1     12  16  10    24     1.960    9522.511      608.6      802.5    466.088   1.960   0.000   0.000  0.458405  0.229864  0.226557  1.000000
-    186   1     16  12  10    24     1.960    9522.511      225.9      297.9    173.003   1.960   0.000   0.000  0.458405  0.229864  0.226557  1.000000
-    187   1     20   8   6    24     1.960    9522.511      195.2      257.4    149.485   1.960   0.000   0.000  0.458405  0.229864  0.226557  1.000000
-    188   1     20  10   0    12     1.960    9522.511       46.3       61.1     35.476   1.960   0.000   0.000  0.458405  0.229864  0.226557  1.000000
-    189   1     22   4   0    12     1.960    9522.511        7.5        9.9      5.728   1.960   0.000   0.000  0.458405  0.229864  0.226557  1.000000
-    190   1     11  19   4    24     1.968    9541.613      321.0      927.8    579.719   1.968   0.000   0.000  0.459325  0.229385  0.224802  1.000000
-    191   1     16  11  11    24     1.968    9541.613      111.2      321.3    200.768   1.968   0.000   0.000  0.459325  0.229385  0.224802  1.000000
-    192   1     19  11   4    24     1.968    9541.613      257.9      745.4    465.736   1.968   0.000   0.000  0.459325  0.229385  0.224802  1.000000
-    193   1     20   7   7    24     1.968    9541.613        1.3        3.8      2.368   1.968   0.000   0.000  0.459325  0.229385  0.224802  1.000000
-    194   1      3  22   1    24     1.984    9580.165      309.9       94.2    164.039   1.984   0.000   0.000  0.461181  0.228425  0.221313  1.000000
-    195   1      7  21   2    24     1.984    9580.165       51.3       15.6     27.155   1.984   0.000   0.000  0.461181  0.228425  0.221313  1.000000
-    196   1     11  18   7    24     1.984    9580.165      268.1       81.5    141.922   1.984   0.000   0.000  0.461181  0.228425  0.221313  1.000000
-    197   1     13  15  10    24     1.984    9580.165       77.5       23.6     41.036   1.984   0.000   0.000  0.461181  0.228425  0.221313  1.000000
-    198   1     13  17   6    24     1.984    9580.165       12.5        3.8      6.601   1.984   0.000   0.000  0.461181  0.228425  0.221313  1.000000
-    199   1     13  18   1    24     1.984    9580.165      391.4      119.0    207.143   1.984   0.000   0.000  0.461181  0.228425  0.221313  1.000000
-    200   1     14  17   3    24     1.984    9580.165      399.9      121.6    211.684   1.984   0.000   0.000  0.461181  0.228425  0.221313  1.000000
-    201   1     15  13  10    24     1.984    9580.165       32.0        9.7     16.953   1.984   0.000   0.000  0.461181  0.228425  0.221313  1.000000
-    202   1     17  13   6    24     1.984    9580.165       13.5        4.1      7.163   1.984   0.000   0.000  0.461181  0.228425  0.221313  1.000000
-    203   1     17  14   3    24     1.984    9580.165      283.5       86.2    150.059   1.984   0.000   0.000  0.461181  0.228425  0.221313  1.000000
-    204   1     18  11   7    24     1.984    9580.165      188.7       57.4     99.875   1.984   0.000   0.000  0.461181  0.228425  0.221313  1.000000
-    205   1     18  13   1    24     1.984    9580.165       63.9       19.4     33.807   1.984   0.000   0.000  0.461181  0.228425  0.221313  1.000000
-    206   1     21   7   2    24     1.984    9580.165      411.6      125.1    217.868   1.984   0.000   0.000  0.461181  0.228425  0.221313  1.000000
-    207   1     22   3   1    24     1.984    9580.165      244.2       74.2    129.264   1.984   0.000   0.000  0.461181  0.228425  0.221313  1.000000
-    208   1     14  14  10    24     1.992    9599.617       79.0      515.3    285.451   1.992   0.000   0.000  0.462117  0.227943  0.219578  1.000000
-    209   1     22   2   2    24     1.992    9599.617       85.2      555.6    307.764   1.992   0.000   0.000  0.462117  0.227943  0.219578  1.000000
-    210   1      7  21   0    12     2.000    9619.188      141.6      103.0    143.894   2.000   0.000   0.000  0.463059  0.227460  0.217851  1.000000
-    211   1      9  20   3    24     2.000    9619.188      478.7      348.1    486.290   2.000   0.000   0.000  0.463059  0.227460  0.217851  1.000000
-    212   1     12  15  11    24     2.000    9619.188       87.7       63.8     89.101   2.000   0.000   0.000  0.463059  0.227460  0.217851  1.000000
-    213   1     15  12  11    24     2.000    9619.188      131.9       95.9    134.012   2.000   0.000   0.000  0.463059  0.227460  0.217851  1.000000
-    214   1     15  16   3    24     2.000    9619.188       71.7       52.1     72.818   2.000   0.000   0.000  0.463059  0.227460  0.217851  1.000000
-    215   1     16  15   3    24     2.000    9619.188      106.6       77.5    108.293   2.000   0.000   0.000  0.463059  0.227460  0.217851  1.000000
-    216   1     20   9   3    24     2.000    9619.188      104.6       76.1    106.315   2.000   0.000   0.000  0.463059  0.227460  0.217851  1.000000
-    217   1     21   7   0    12     2.000    9619.188        4.7        3.4      4.769   2.000   0.000   0.000  0.463059  0.227460  0.217851  1.000000
-    218   1      2  22   0    12     2.009    9638.880      112.0       50.0     73.656   2.009   0.000   0.000  0.464007  0.226977  0.216131  1.000000
-    219   1     10  18   8    24     2.009    9638.880      440.5      196.7    289.763   2.009   0.000   0.000  0.464007  0.226977  0.216131  1.000000
-    220   1     14  16   6    24     2.009    9638.880      474.3      211.8    311.984   2.009   0.000   0.000  0.464007  0.226977  0.216131  1.000000
-    221   1     16  14   6    24     2.009    9638.880      510.0      227.7    335.451   2.009   0.000   0.000  0.464007  0.226977  0.216131  1.000000
-    222   1     18  10   8    24     2.009    9638.880      139.6       62.4     91.855   2.009   0.000   0.000  0.464007  0.226977  0.216131  1.000000
-    223   1     22   2   0    12     2.009    9638.880       21.6        9.7     14.230   2.009   0.000   0.000  0.464007  0.226977  0.216131  1.000000
-    224   1      6  21   3    24     2.017    9658.692      575.4      348.1    317.672   2.017   0.000   0.000  0.464961  0.226492  0.214418  1.000000
-    225   1     10  19   5    24     2.017    9658.692       14.7        8.9      8.107   2.017   0.000   0.000  0.464961  0.226492  0.214418  1.000000
-    226   1     11  19   2    24     2.017    9658.692      114.0       68.9     62.919   2.017   0.000   0.000  0.464961  0.226492  0.214418  1.000000
-    227   1     13  14  11    24     2.017    9658.692      431.6      261.1    238.277   2.017   0.000   0.000  0.464961  0.226492  0.214418  1.000000
-    228   1     14  13  11    24     2.017    9658.692       14.6        8.8      8.035   2.017   0.000   0.000  0.464961  0.226492  0.214418  1.000000
-    229   1     14  17   1    24     2.017    9658.692      117.3       70.9     64.745   2.017   0.000   0.000  0.464961  0.226492  0.214418  1.000000
-    230   1     15  15   6    24     2.017    9658.692      136.1       82.3     75.155   2.017   0.000   0.000  0.464961  0.226492  0.214418  1.000000
-    231   1     17  14   1    24     2.017    9658.692      202.9      122.7    111.995   2.017   0.000   0.000  0.464961  0.226492  0.214418  1.000000
-    232   1     18   9   9    24     2.017    9658.692      123.7       74.8     68.300   2.017   0.000   0.000  0.464961  0.226492  0.214418  1.000000
-    233   1     19  10   5    24     2.017    9658.692       53.2       32.2     29.359   2.017   0.000   0.000  0.464961  0.226492  0.214418  1.000000
-    234   1     19  11   2    24     2.017    9658.692       18.1       10.9      9.983   2.017   0.000   0.000  0.464961  0.226492  0.214418  1.000000
-    235   1     21   6   3    24     2.017    9658.692      152.0       91.9     83.898   2.017   0.000   0.000  0.464961  0.226492  0.214418  1.000000
-    236   1     22   1   1    24     2.017    9658.692      119.5       72.3     65.949   2.017   0.000   0.000  0.464961  0.226492  0.214418  1.000000
-    237   1     12  18   4    24     2.025    9678.628      361.6      588.5    286.573   2.025   0.000   0.000  0.465921  0.226007  0.212712  1.000000
-    238   1     14  12  12    24     2.025    9678.628      509.0      828.4    403.418   2.025   0.000   0.000  0.465921  0.226007  0.212712  1.000000
-    239   1     18  12   4    24     2.025    9678.628      338.9      551.6    268.635   2.025   0.000   0.000  0.465921  0.226007  0.212712  1.000000
-    240   1     22   0   0     6     2.025    9678.628       90.8      147.8     71.993   2.025   0.000   0.000  0.465921  0.226007  0.212712  1.000000
+    181   1     22   3   3    24     1.953    9503.522       41.4       43.1     32.722   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
+    182   1      4  22   0    12     1.960    9522.511      331.7      437.2    253.837   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
+    183   1      8  20   6    24     1.960    9522.511       57.2       75.4     43.792   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
+    184   1     10  20   0    12     1.960    9522.511      153.3      202.1    117.337   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
+    185   1     12  16  10    24     1.960    9522.511      609.1      802.9    466.167   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
+    186   1     16  12  10    24     1.960    9522.511      226.1      298.1    173.065   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
+    187   1     20   8   6    24     1.960    9522.511      195.4      257.5    149.511   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
+    188   1     20  10   0    12     1.960    9522.511       46.4       61.2     35.506   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
+    189   1     22   4   0    12     1.960    9522.511        7.5        9.9      5.742   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
+    190   1     11  19   4    24     1.968    9541.613      321.2      928.4    579.844   1.968   0.000   0.000  0.459325  0.229383  0.224802  1.000000
+    191   1     16  11  11    24     1.968    9541.613      111.2      321.5    200.783   1.968   0.000   0.000  0.459325  0.229383  0.224802  1.000000
+    192   1     19  11   4    24     1.968    9541.613      258.1      745.8    465.786   1.968   0.000   0.000  0.459325  0.229383  0.224802  1.000000
+    193   1     20   7   7    24     1.968    9541.613        1.3        3.8      2.372   1.968   0.000   0.000  0.459325  0.229383  0.224802  1.000000
+    194   1      3  22   1    24     1.984    9580.165      310.2       94.4    164.095   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
+    195   1      7  21   2    24     1.984    9580.165       51.4       15.6     27.170   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
+    196   1     11  18   7    24     1.984    9580.165      268.3       81.6    141.949   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
+    197   1     13  15  10    24     1.984    9580.165       77.6       23.6     41.055   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
+    198   1     13  17   6    24     1.984    9580.165       12.5        3.8      6.601   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
+    199   1     13  18   1    24     1.984    9580.165      391.6      119.1    207.187   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
+    200   1     14  17   3    24     1.984    9580.165      400.2      121.8    211.738   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
+    201   1     15  13  10    24     1.984    9580.165       32.1        9.8     16.956   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
+    202   1     17  13   6    24     1.984    9580.165       13.5        4.1      7.161   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
+    203   1     17  14   3    24     1.984    9580.165      283.8       86.3    150.120   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
+    204   1     18  11   7    24     1.984    9580.165      188.8       57.4     99.883   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
+    205   1     18  13   1    24     1.984    9580.165       63.9       19.4     33.815   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
+    206   1     21   7   2    24     1.984    9580.165      411.9      125.3    217.916   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
+    207   1     22   3   1    24     1.984    9580.165      244.4       74.3    129.280   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
+    208   1     14  14  10    24     1.992    9599.617       79.0      515.4    285.479   1.992   0.000   0.000  0.462117  0.227941  0.219578  1.000000
+    209   1     22   2   2    24     1.992    9599.617       85.3      555.9    307.917   1.992   0.000   0.000  0.462117  0.227941  0.219578  1.000000
+    210   1      7  21   0    12     2.000    9619.188      141.7      103.1    143.909   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    211   1      9  20   3    24     2.000    9619.188      479.1      348.5    486.499   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    212   1     12  15  11    24     2.000    9619.188       87.8       63.8     89.106   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    213   1     15  12  11    24     2.000    9619.188      132.0       96.0    134.030   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    214   1     15  16   3    24     2.000    9619.188       71.7       52.2     72.852   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    215   1     16  15   3    24     2.000    9619.188      106.7       77.6    108.297   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    216   1     20   9   3    24     2.000    9619.188      104.7       76.2    106.309   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    217   1     21   7   0    12     2.000    9619.188        4.7        3.4      4.778   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    218   1      2  22   0    12     2.009    9638.880      112.1       50.1     73.678   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
+    219   1     10  18   8    24     2.009    9638.880      440.8      196.9    289.815   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
+    220   1     14  16   6    24     2.009    9638.880      474.8      212.1    312.156   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
+    221   1     16  14   6    24     2.009    9638.880      510.3      227.9    335.515   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
+    222   1     18  10   8    24     2.009    9638.880      139.7       62.4     91.863   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
+    223   1     22   2   0    12     2.009    9638.880       21.6        9.7     14.229   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
+    224   1      6  21   3    24     2.017    9658.692      575.7      348.3    317.702   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    225   1     10  19   5    24     2.017    9658.692       14.7        8.9      8.102   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    226   1     11  19   2    24     2.017    9658.692      114.0       69.0     62.926   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    227   1     13  14  11    24     2.017    9658.692      431.9      261.3    238.337   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    228   1     14  13  11    24     2.017    9658.692       14.6        8.8      8.036   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    229   1     14  17   1    24     2.017    9658.692      117.3       71.0     64.733   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    230   1     15  15   6    24     2.017    9658.692      136.3       82.4     75.185   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    231   1     17  14   1    24     2.017    9658.692      203.0      122.8    112.013   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    232   1     18   9   9    24     2.017    9658.692      123.8       74.9     68.310   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    233   1     19  10   5    24     2.017    9658.692       53.2       32.2     29.382   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    234   1     19  11   2    24     2.017    9658.692       18.1       10.9      9.978   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    235   1     21   6   3    24     2.017    9658.692      152.1       92.0     83.928   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    236   1     22   1   1    24     2.017    9658.692      119.5       72.3     65.955   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    237   1     12  18   4    24     2.025    9678.627      361.9      588.8    286.667   2.025   0.000   0.000  0.465921  0.226004  0.212712  1.000000
+    238   1     14  12  12    24     2.025    9678.627      509.4      828.9    403.547   2.025   0.000   0.000  0.465921  0.226004  0.212712  1.000000
+    239   1     18  12   4    24     2.025    9678.627      339.1      551.7    268.628   2.025   0.000   0.000  0.465921  0.226004  0.212712  1.000000
+    240   1     22   0   0     6     2.025    9678.627       90.9      147.9     72.026   2.025   0.000   0.000  0.465921  0.226004  0.212712  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    241   1      5  21   4    24     2.034    9698.688       44.9       36.4     36.956   2.034   0.000   0.000  0.466886  0.225520  0.211013  1.000000
-    242   1      9  20   1    24     2.034    9698.688       86.1       69.8     70.871   2.034   0.000   0.000  0.466886  0.225520  0.211013  1.000000
-    243   1     11  19   0    12     2.034    9698.688       23.7       19.2     19.471   2.034   0.000   0.000  0.466886  0.225520  0.211013  1.000000
-    244   1     12  17   7    24     2.034    9698.688       54.3       44.0     44.664   2.034   0.000   0.000  0.466886  0.225520  0.211013  1.000000
-    245   1     13  13  12    24     2.034    9698.688      121.4       98.4     99.887   2.034   0.000   0.000  0.466886  0.225520  0.211013  1.000000
-    246   1     15  16   1    24     2.034    9698.688        9.2        7.5      7.606   2.034   0.000   0.000  0.466886  0.225520  0.211013  1.000000
-    247   1     16  15   1    24     2.034    9698.688       79.3       64.3     65.276   2.034   0.000   0.000  0.466886  0.225520  0.211013  1.000000
-    248   1     17  12   7    24     2.034    9698.688      327.9      265.9    269.928   2.034   0.000   0.000  0.466886  0.225520  0.211013  1.000000
-    249   1     19  11   0    12     2.034    9698.688      452.9      367.1    372.756   2.034   0.000   0.000  0.466886  0.225520  0.211013  1.000000
-    250   1     20   9   1    24     2.034    9698.688       70.8       57.4     58.265   2.034   0.000   0.000  0.466886  0.225520  0.211013  1.000000
-    251   1     21   5   4    24     2.034    9698.688       11.4        9.2      9.353   2.034   0.000   0.000  0.466886  0.225520  0.211013  1.000000
-    252   1      8  20   4    24     2.042    9718.872      365.4        0.0    443.952   2.042   0.000   0.000  0.467858  0.225032  0.209321  1.000000
-    253   1     20   8   4    24     2.042    9718.872      380.3        0.0    462.056   2.042   0.000   0.000  0.467858  0.225032  0.209321  1.000000
-    254   1      6  21   1    24     2.051    9739.183       42.9       19.5     57.436   2.051   0.000   0.000  0.468836  0.224544  0.207636  1.000000
-    255   1      9  19   6    24     2.051    9739.183      450.1      204.4    602.332   2.051   0.000   0.000  0.468836  0.224544  0.207636  1.000000
-    256   1     19   9   6    24     2.051    9739.183      424.9      193.0    568.657   2.051   0.000   0.000  0.468836  0.224544  0.207636  1.000000
-    257   1     21   6   1    24     2.051    9739.183      140.3       63.7    187.699   2.051   0.000   0.000  0.468836  0.224544  0.207636  1.000000
-    258   1      7  20   5    24     2.068    9780.190      284.7        0.0    241.060   2.068   0.000   0.000  0.470810  0.223563  0.204287  1.000000
-    259   1      8  19   7    24     2.068    9780.190      515.7        0.0    436.661   2.068   0.000   0.000  0.470810  0.223563  0.204287  1.000000
-    260   1     11  17   8    24     2.068    9780.190      128.7        0.0    108.996   2.068   0.000   0.000  0.470810  0.223563  0.204287  1.000000
-    261   1     13  16   7    24     2.068    9780.190      155.3        0.0    131.515   2.068   0.000   0.000  0.470810  0.223563  0.204287  1.000000
-    262   1     13  17   4    24     2.068    9780.190      153.4        0.0    129.931   2.068   0.000   0.000  0.470810  0.223563  0.204287  1.000000
-    263   1     16  13   7    24     2.068    9780.190       23.1        0.0     19.523   2.068   0.000   0.000  0.470810  0.223563  0.204287  1.000000
-    264   1     17  11   8    24     2.068    9780.190       17.1        0.0     14.495   2.068   0.000   0.000  0.470810  0.223563  0.204287  1.000000
-    265   1     17  13   4    24     2.068    9780.190      112.2        0.0     94.965   2.068   0.000   0.000  0.470810  0.223563  0.204287  1.000000
-    266   1     19   8   7    24     2.068    9780.190       70.9        0.0     60.005   2.068   0.000   0.000  0.470810  0.223563  0.204287  1.000000
-    267   1     20   7   5    24     2.068    9780.190       66.0        0.0     55.908   2.068   0.000   0.000  0.470810  0.223563  0.204287  1.000000
-    268   1     12  18   2    24     2.077    9800.889      130.0        4.0    134.546   2.077   0.000   0.000  0.471806  0.223072  0.202623  1.000000
-    269   1     18  12   2    24     2.077    9800.889      426.7       13.3    441.687   2.077   0.000   0.000  0.471806  0.223072  0.202623  1.000000
-    270   1     20   6   6    24     2.077    9800.889      340.8       10.6    352.773   2.077   0.000   0.000  0.471806  0.223072  0.202623  1.000000
-    271   1      5  21   2    24     2.086    9821.720       22.9       30.4     14.035   2.086   0.000   0.000  0.472809  0.222579  0.200967  1.000000
-    272   1     10  17   9    24     2.086    9821.720       25.1       33.3     15.405   2.086   0.000   0.000  0.472809  0.222579  0.200967  1.000000
-    273   1     10  19   3    24     2.086    9821.720      518.7      688.2    317.945   2.086   0.000   0.000  0.472809  0.222579  0.200967  1.000000
-    274   1     11  18   5    24     2.086    9821.720       99.5      132.1     61.007   2.086   0.000   0.000  0.472809  0.222579  0.200967  1.000000
-    275   1     14  15   7    24     2.086    9821.720      172.2      228.5    105.561   2.086   0.000   0.000  0.472809  0.222579  0.200967  1.000000
-    276   1     15  14   7    24     2.086    9821.720      683.3      906.7    418.847   2.086   0.000   0.000  0.472809  0.222579  0.200967  1.000000
-    277   1     17  10   9    24     2.086    9821.720       89.0      118.1     54.539   2.086   0.000   0.000  0.472809  0.222579  0.200967  1.000000
-    278   1     18  11   5    24     2.086    9821.720      214.9      285.1    131.707   2.086   0.000   0.000  0.472809  0.222579  0.200967  1.000000
-    279   1     19  10   3    24     2.086    9821.720      253.2      335.9    155.189   2.086   0.000   0.000  0.472809  0.222579  0.200967  1.000000
-    280   1     21   5   2    24     2.086    9821.720      135.6      179.9     83.087   2.086   0.000   0.000  0.472809  0.222579  0.200967  1.000000
-    281   1      8  20   2    24     2.094    9842.685       57.0      201.5     97.155   2.094   0.000   0.000  0.473818  0.222085  0.199317  1.000000
-    282   1     12  18   0    12     2.094    9842.685        0.3        1.0      0.501   2.094   0.000   0.000  0.473818  0.222085  0.199317  1.000000
-    283   1     14  16   4    24     2.094    9842.685      118.5      419.2    202.084   2.094   0.000   0.000  0.473818  0.222085  0.199317  1.000000
-    284   1     16  14   4    24     2.094    9842.685      215.8      763.5    368.058   2.094   0.000   0.000  0.473818  0.222085  0.199317  1.000000
-    285   1     18  12   0    12     2.094    9842.685      128.4      454.3    218.991   2.094   0.000   0.000  0.473818  0.222085  0.199317  1.000000
-    286   1     20   8   2    24     2.094    9842.685       68.4      242.2    116.746   2.094   0.000   0.000  0.473818  0.222085  0.199317  1.000000
-    287   1      4  21   3    24     2.103    9863.784       74.2        0.0    179.449   2.103   0.000   0.000  0.474834  0.221590  0.197674  1.000000
-    288   1      5  21   0    12     2.103    9863.784       15.2        0.0     36.681   2.103   0.000   0.000  0.474834  0.221590  0.197674  1.000000
-    289   1     15  15   4    24     2.103    9863.784      251.5        0.0    607.938   2.103   0.000   0.000  0.474834  0.221590  0.197674  1.000000
-    290   1     21   4   3    24     2.103    9863.784       11.5        0.0     27.714   2.103   0.000   0.000  0.474834  0.221590  0.197674  1.000000
-    291   1     21   5   0    12     2.103    9863.784       22.9        0.0     55.405   2.103   0.000   0.000  0.474834  0.221590  0.197674  1.000000
-    292   1      8  20   0    12     2.113    9885.018      297.1        0.0    472.668   2.113   0.000   0.000  0.475856  0.221094  0.196038  1.000000
-    293   1     12  16   8    24     2.113    9885.018      186.8        0.0    297.198   2.113   0.000   0.000  0.475856  0.221094  0.196038  1.000000
-    294   1     16  12   8    24     2.113    9885.018      124.9        0.0    198.802   2.113   0.000   0.000  0.475856  0.221094  0.196038  1.000000
-    295   1     20   8   0    12     2.113    9885.018       71.0        0.0    112.906   2.113   0.000   0.000  0.475856  0.221094  0.196038  1.000000
-    296   1     10  19   1    24     2.122    9906.392      328.8        0.0    420.240   2.122   0.000   0.000  0.476885  0.220597  0.194410  1.000000
-    297   1     13  17   2    24     2.122    9906.392      382.7        0.0    489.091   2.122   0.000   0.000  0.476885  0.220597  0.194410  1.000000
-    298   1     17  13   2    24     2.122    9906.392       12.5        0.0     15.975   2.122   0.000   0.000  0.476885  0.220597  0.194410  1.000000
-    299   1     19  10   1    24     2.122    9906.392      227.1        0.0    290.250   2.122   0.000   0.000  0.476885  0.220597  0.194410  1.000000
-    300   1     10  18   6    24     2.131    9927.904        2.0       26.1     31.524   2.131   0.000   0.000  0.477921  0.220099  0.192788  1.000000
+    241   1      5  21   4    24     2.034    9698.688       44.9       36.4     36.942   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    242   1      9  20   1    24     2.034    9698.688       86.2       69.9     70.928   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    243   1     11  19   0    12     2.034    9698.688       23.7       19.2     19.465   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    244   1     12  17   7    24     2.034    9698.688       54.3       44.0     44.663   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    245   1     13  13  12    24     2.034    9698.688      121.4       98.4     99.898   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    246   1     15  16   1    24     2.034    9698.688        9.2        7.5      7.608   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    247   1     16  15   1    24     2.034    9698.688       79.3       64.3     65.267   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    248   1     17  12   7    24     2.034    9698.688      328.2      266.1    270.003   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    249   1     19  11   0    12     2.034    9698.688      453.3      367.5    372.917   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    250   1     20   9   1    24     2.034    9698.688       70.8       57.4     58.267   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    251   1     21   5   4    24     2.034    9698.688       11.4        9.2      9.348   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    252   1      8  20   4    24     2.042    9718.872      365.7        0.0    444.100   2.042   0.000   0.000  0.467858  0.225030  0.209321  1.000000
+    253   1     20   8   4    24     2.042    9718.872      380.7        0.0    462.236   2.042   0.000   0.000  0.467858  0.225030  0.209321  1.000000
+    254   1      6  21   1    24     2.051    9739.184       43.0       19.5     57.476   2.051   0.000   0.000  0.468836  0.224541  0.207636  1.000000
+    255   1      9  19   6    24     2.051    9739.184      450.4      204.9    602.451   2.051   0.000   0.000  0.468836  0.224541  0.207636  1.000000
+    256   1     19   9   6    24     2.051    9739.184      425.2      193.4    568.750   2.051   0.000   0.000  0.468836  0.224541  0.207636  1.000000
+    257   1     21   6   1    24     2.051    9739.184      140.4       63.8    187.737   2.051   0.000   0.000  0.468836  0.224541  0.207636  1.000000
+    258   1      7  20   5    24     2.068    9780.190      284.9        0.0    241.145   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    259   1      8  19   7    24     2.068    9780.190      516.0        0.0    436.766   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    260   1     11  17   8    24     2.068    9780.190      128.8        0.0    109.013   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    261   1     13  16   7    24     2.068    9780.190      155.4        0.0    131.531   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    262   1     13  17   4    24     2.068    9780.190      153.6        0.0    129.975   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    263   1     16  13   7    24     2.068    9780.190       23.1        0.0     19.523   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    264   1     17  11   8    24     2.068    9780.190       17.1        0.0     14.502   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    265   1     17  13   4    24     2.068    9780.190      112.2        0.0     94.992   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    266   1     19   8   7    24     2.068    9780.190       70.9        0.0     60.004   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    267   1     20   7   5    24     2.068    9780.190       66.1        0.0     55.940   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    268   1     12  18   2    24     2.077    9800.889      130.1        4.1    134.565   2.077   0.000   0.000  0.471806  0.223069  0.202623  1.000000
+    269   1     18  12   2    24     2.077    9800.889      427.1       13.5    441.840   2.077   0.000   0.000  0.471806  0.223069  0.202623  1.000000
+    270   1     20   6   6    24     2.077    9800.889      341.1       10.8    352.896   2.077   0.000   0.000  0.471806  0.223069  0.202623  1.000000
+    271   1      5  21   2    24     2.086    9821.720       22.9       30.4     14.033   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    272   1     10  17   9    24     2.086    9821.720       25.2       33.4     15.427   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    273   1     10  19   3    24     2.086    9821.720      519.0      688.5    317.976   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    274   1     11  18   5    24     2.086    9821.720       99.6      132.1     61.024   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    275   1     14  15   7    24     2.086    9821.720      172.3      228.6    105.571   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    276   1     15  14   7    24     2.086    9821.720      683.9      907.2    418.964   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    277   1     17  10   9    24     2.086    9821.720       89.0      118.1     54.552   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    278   1     18  11   5    24     2.086    9821.720      215.0      285.2    131.703   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    279   1     19  10   3    24     2.086    9821.720      253.3      336.0    155.181   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    280   1     21   5   2    24     2.086    9821.720      135.7      180.0     83.131   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    281   1      8  20   2    24     2.094    9842.684       57.0      201.6     97.185   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
+    282   1     12  18   0    12     2.094    9842.684        0.3        1.0      0.495   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
+    283   1     14  16   4    24     2.094    9842.684      118.5      419.3    202.107   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
+    284   1     16  14   4    24     2.094    9842.684      216.0      764.2    368.309   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
+    285   1     18  12   0    12     2.094    9842.684      128.4      454.3    218.945   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
+    286   1     20   8   2    24     2.094    9842.684       68.5      242.2    116.720   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
+    287   1      4  21   3    24     2.103    9863.783       74.3        0.0    179.479   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
+    288   1      5  21   0    12     2.103    9863.783       15.2        0.0     36.680   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
+    289   1     15  15   4    24     2.103    9863.783      251.8        0.0    608.182   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
+    290   1     21   4   3    24     2.103    9863.783       11.5        0.0     27.728   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
+    291   1     21   5   0    12     2.103    9863.783       22.9        0.0     55.419   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
+    292   1      8  20   0    12     2.113    9885.019      297.2        0.0    472.738   2.113   0.000   0.000  0.475856  0.221092  0.196038  1.000000
+    293   1     12  16   8    24     2.113    9885.019      186.9        0.0    297.211   2.113   0.000   0.000  0.475856  0.221092  0.196038  1.000000
+    294   1     16  12   8    24     2.113    9885.019      125.0        0.0    198.818   2.113   0.000   0.000  0.475856  0.221092  0.196038  1.000000
+    295   1     20   8   0    12     2.113    9885.019       71.0        0.0    112.957   2.113   0.000   0.000  0.475856  0.221092  0.196038  1.000000
+    296   1     10  19   1    24     2.122    9906.392      329.0        0.0    420.333   2.122   0.000   0.000  0.476885  0.220595  0.194410  1.000000
+    297   1     13  17   2    24     2.122    9906.392      383.0        0.0    489.276   2.122   0.000   0.000  0.476885  0.220595  0.194410  1.000000
+    298   1     17  13   2    24     2.122    9906.392       12.5        0.0     15.972   2.122   0.000   0.000  0.476885  0.220595  0.194410  1.000000
+    299   1     19  10   1    24     2.122    9906.392      227.2        0.0    290.273   2.122   0.000   0.000  0.476885  0.220595  0.194410  1.000000
+    300   1     10  18   6    24     2.131    9927.904        2.0       26.1     31.563   2.131   0.000   0.000  0.477921  0.220097  0.192788  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    301   1     18  10   6    24     2.131    9927.904        2.0       26.2     31.631   2.131   0.000   0.000  0.477921  0.220099  0.192788  1.000000
-    302   1      4  21   1    24     2.140    9949.557       89.2       67.9     59.906   2.140   0.000   0.000  0.478963  0.219600  0.191173  1.000000
-    303   1      7  20   3    24     2.140    9949.557       53.7       40.9     36.073   2.140   0.000   0.000  0.478963  0.219600  0.191173  1.000000
-    304   1      9  19   4    24     2.140    9949.557      226.1      172.2    151.835   2.140   0.000   0.000  0.478963  0.219600  0.191173  1.000000
-    305   1     11  16   9    24     2.140    9949.557        5.2        3.9      3.466   2.140   0.000   0.000  0.478963  0.219600  0.191173  1.000000
-    306   1     12  17   5    24     2.140    9949.557        0.1        0.1      0.097   2.140   0.000   0.000  0.478963  0.219600  0.191173  1.000000
-    307   1     13  15   8    24     2.140    9949.557       79.2       60.3     53.161   2.140   0.000   0.000  0.478963  0.219600  0.191173  1.000000
-    308   1     13  17   0    12     2.140    9949.557       20.0       15.2     13.397   2.140   0.000   0.000  0.478963  0.219600  0.191173  1.000000
-    309   1     15  13   8    24     2.140    9949.557       75.6       57.5     50.735   2.140   0.000   0.000  0.478963  0.219600  0.191173  1.000000
-    310   1     16  11   9    24     2.140    9949.557       11.4        8.7      7.632   2.140   0.000   0.000  0.478963  0.219600  0.191173  1.000000
-    311   1     17  12   5    24     2.140    9949.557      183.3      139.6    123.109   2.140   0.000   0.000  0.478963  0.219600  0.191173  1.000000
-    312   1     17  13   0    12     2.140    9949.557      153.7      117.1    103.201   2.140   0.000   0.000  0.478963  0.219600  0.191173  1.000000
-    313   1     19   9   4    24     2.140    9949.557      164.8      125.5    110.643   2.140   0.000   0.000  0.478963  0.219600  0.191173  1.000000
-    314   1     20   7   3    24     2.140    9949.557      220.3      167.8    147.942   2.140   0.000   0.000  0.478963  0.219600  0.191173  1.000000
-    315   1     21   4   1    24     2.140    9949.557      852.2      649.0    572.239   2.140   0.000   0.000  0.478963  0.219600  0.191173  1.000000
-    316   1     14  14   8    24     2.150    9971.353       36.7       92.3     36.572   2.150   0.000   0.000  0.480012  0.219099  0.189566  1.000000
-    317   1     14  16   2    24     2.150    9971.353      873.3     2195.8    869.939   2.150   0.000   0.000  0.480012  0.219099  0.189566  1.000000
-    318   1     16  10  10    24     2.150    9971.353       36.7       92.3     36.553   2.150   0.000   0.000  0.480012  0.219099  0.189566  1.000000
-    319   1     16  14   2    24     2.150    9971.353       96.1      241.7     95.746   2.150   0.000   0.000  0.480012  0.219099  0.189566  1.000000
-    320   1      3  21   2    24     2.159    9993.292      628.4      691.1    425.090   2.159   0.000   0.000  0.481068  0.218598  0.187965  1.000000
-    321   1      9  18   7    24     2.159    9993.292      417.5      459.2    282.452   2.159   0.000   0.000  0.481068  0.218598  0.187965  1.000000
-    322   1     11  18   3    24     2.159    9993.292      252.1      277.3    170.565   2.159   0.000   0.000  0.481068  0.218598  0.187965  1.000000
-    323   1     15  15   2    24     2.159    9993.292        1.6        1.7      1.057   2.159   0.000   0.000  0.481068  0.218598  0.187965  1.000000
-    324   1     18   9   7    24     2.159    9993.292       26.7       29.4     18.075   2.159   0.000   0.000  0.481068  0.218598  0.187965  1.000000
-    325   1     18  11   3    24     2.159    9993.292      331.2      364.2    224.034   2.159   0.000   0.000  0.481068  0.218598  0.187965  1.000000
-    326   1     21   3   2    24     2.159    9993.292      267.7      294.4    181.114   2.159   0.000   0.000  0.481068  0.218598  0.187965  1.000000
-    327   1      6  20   4    24     2.169   10015.376      236.4        0.0    262.268   2.169   0.000   0.000  0.482131  0.218096  0.186372  1.000000
-    328   1     14  16   0    12     2.169   10015.376      127.0        0.0    140.836   2.169   0.000   0.000  0.482131  0.218096  0.186372  1.000000
-    329   1     16  14   0    12     2.169   10015.376        7.4        0.0      8.218   2.169   0.000   0.000  0.482131  0.218096  0.186372  1.000000
-    330   1     18   8   8    24     2.169   10015.376      261.5        0.0    290.055   2.169   0.000   0.000  0.482131  0.218096  0.186372  1.000000
-    331   1     20   6   4    24     2.169   10015.376      121.6        0.0    134.894   2.169   0.000   0.000  0.482131  0.218096  0.186372  1.000000
-    332   1      3  21   0    12     2.178   10037.607       68.3       34.8     53.524   2.178   0.000   0.000  0.483202  0.217592  0.184785  1.000000
-    333   1      7  20   1    24     2.178   10037.607      619.8      315.2    485.450   2.178   0.000   0.000  0.483202  0.217592  0.184785  1.000000
-    334   1      8  19   5    24     2.178   10037.607      267.7      136.1    209.658   2.178   0.000   0.000  0.483202  0.217592  0.184785  1.000000
-    335   1     12  15   9    24     2.178   10037.607      107.3       54.5     84.008   2.178   0.000   0.000  0.483202  0.217592  0.184785  1.000000
-    336   1     13  16   5    24     2.178   10037.607       75.7       38.5     59.330   2.178   0.000   0.000  0.483202  0.217592  0.184785  1.000000
-    337   1     15  12   9    24     2.178   10037.607       23.3       11.9     18.253   2.178   0.000   0.000  0.483202  0.217592  0.184785  1.000000
-    338   1     15  15   0    12     2.178   10037.607      295.0      150.0    231.069   2.178   0.000   0.000  0.483202  0.217592  0.184785  1.000000
-    339   1     16  13   5    24     2.178   10037.607      125.2       63.7     98.104   2.178   0.000   0.000  0.483202  0.217592  0.184785  1.000000
-    340   1     19   8   5    24     2.178   10037.607      133.8       68.0    104.812   2.178   0.000   0.000  0.483202  0.217592  0.184785  1.000000
-    341   1     20   5   5    24     2.178   10037.607       45.1       22.9     35.338   2.178   0.000   0.000  0.483202  0.217592  0.184785  1.000000
-    342   1     20   7   1    24     2.178   10037.607       63.3       32.2     49.587   2.178   0.000   0.000  0.483202  0.217592  0.184785  1.000000
-    343   1     21   3   0    12     2.178   10037.607       70.4       35.8     55.162   2.178   0.000   0.000  0.483202  0.217592  0.184785  1.000000
-    344   1      2  21   1    24     2.198   10082.520       58.6       55.1     21.020   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    345   1      7  19   6    24     2.198   10082.520      449.2      422.5    161.175   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    346   1      9  19   2    24     2.198   10082.520       50.1       47.1     17.969   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    347   1     11  15  10    24     2.198   10082.520      330.0      310.3    118.385   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    348   1     11  17   6    24     2.198   10082.520     1594.5     1499.5    572.090   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    349   1     11  18   1    24     2.198   10082.520       88.1       82.9     31.614   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    350   1     13  14   9    24     2.198   10082.520      197.0      185.3     70.686   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    351   1     14  13   9    24     2.198   10082.520      171.5      161.3     61.529   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    352   1     14  15   5    24     2.198   10082.520       53.8       50.6     19.294   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    353   1     15  11  10    24     2.198   10082.520      336.0      316.0    120.554   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    354   1     15  14   5    24     2.198   10082.520      588.8      553.7    211.246   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    355   1     17  11   6    24     2.198   10082.520      171.1      160.9     61.383   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    356   1     18  11   1    24     2.198   10082.520       75.9       71.4     27.241   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    357   1     19   7   6    24     2.198   10082.520      555.6      522.5    199.335   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    358   1     19   9   2    24     2.198   10082.520      904.4      850.5    324.498   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    359   1     21   2   1    24     2.198   10082.520        0.5        0.5      0.196   2.198   0.000   0.000  0.485364  0.216581  0.181634  1.000000
-    360   1      1  21   0    12     2.218   10128.039      175.3      134.9    272.033   2.218   0.000   0.000  0.487555  0.215566  0.178510  1.000000
+    301   1     18  10   6    24     2.131    9927.904        2.0       26.2     31.593   2.131   0.000   0.000  0.477921  0.220097  0.192788  1.000000
+    302   1      4  21   1    24     2.140    9949.557       89.3       68.0     59.902   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    303   1      7  20   3    24     2.140    9949.557       53.8       41.0     36.084   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    304   1      9  19   4    24     2.140    9949.557      226.4      172.4    151.922   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    305   1     11  16   9    24     2.140    9949.557        5.2        3.9      3.477   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    306   1     12  17   5    24     2.140    9949.557        0.1        0.1      0.099   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    307   1     13  15   8    24     2.140    9949.557       79.2       60.3     53.147   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    308   1     13  17   0    12     2.140    9949.557       20.0       15.2     13.403   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    309   1     15  13   8    24     2.140    9949.557       75.6       57.6     50.717   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    310   1     16  11   9    24     2.140    9949.557       11.4        8.7      7.633   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    311   1     17  12   5    24     2.140    9949.557      183.5      139.7    123.131   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    312   1     17  13   0    12     2.140    9949.557      153.8      117.2    103.232   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    313   1     19   9   4    24     2.140    9949.557      164.9      125.6    110.673   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    314   1     20   7   3    24     2.140    9949.557      220.4      167.9    147.951   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    315   1     21   4   1    24     2.140    9949.557      852.8      649.6    572.347   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    316   1     14  14   8    24     2.150    9971.352       36.8       92.4     36.595   2.150   0.000   0.000  0.480012  0.219097  0.189566  1.000000
+    317   1     14  16   2    24     2.150    9971.352      874.1     2196.9    870.185   2.150   0.000   0.000  0.480012  0.219097  0.189566  1.000000
+    318   1     16  10  10    24     2.150    9971.352       36.7       92.3     36.557   2.150   0.000   0.000  0.480012  0.219097  0.189566  1.000000
+    319   1     16  14   2    24     2.150    9971.352       96.2      241.7     95.738   2.150   0.000   0.000  0.480012  0.219097  0.189566  1.000000
+    320   1      3  21   2    24     2.159    9993.291      628.8      691.4    425.185   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
+    321   1      9  18   7    24     2.159    9993.291      417.8      459.4    282.517   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
+    322   1     11  18   3    24     2.159    9993.291      252.4      277.5    170.652   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
+    323   1     15  15   2    24     2.159    9993.291        1.6        1.7      1.059   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
+    324   1     18   9   7    24     2.159    9993.291       26.8       29.4     18.088   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
+    325   1     18  11   3    24     2.159    9993.291      331.3      364.3    224.042   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
+    326   1     21   3   2    24     2.159    9993.291      267.9      294.6    181.160   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
+    327   1      6  20   4    24     2.169   10015.375      236.5        0.0    262.276   2.169   0.000   0.000  0.482131  0.218093  0.186372  1.000000
+    328   1     14  16   0    12     2.169   10015.375      127.0        0.0    140.867   2.169   0.000   0.000  0.482131  0.218093  0.186372  1.000000
+    329   1     16  14   0    12     2.169   10015.375        7.4        0.0      8.231   2.169   0.000   0.000  0.482131  0.218093  0.186372  1.000000
+    330   1     18   8   8    24     2.169   10015.375      261.7        0.0    290.154   2.169   0.000   0.000  0.482131  0.218093  0.186372  1.000000
+    331   1     20   6   4    24     2.169   10015.375      121.7        0.0    134.986   2.169   0.000   0.000  0.482131  0.218093  0.186372  1.000000
+    332   1      3  21   0    12     2.178   10037.608       68.4       34.8     53.544   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    333   1      7  20   1    24     2.178   10037.608      620.2      315.7    485.648   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    334   1      8  19   5    24     2.178   10037.608      267.8      136.3    209.655   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    335   1     12  15   9    24     2.178   10037.608      107.3       54.6     84.032   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    336   1     13  16   5    24     2.178   10037.608       75.8       38.6     59.328   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    337   1     15  12   9    24     2.178   10037.608       23.3       11.9     18.252   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    338   1     15  15   0    12     2.178   10037.608      295.2      150.2    231.117   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    339   1     16  13   5    24     2.178   10037.608      125.3       63.8     98.095   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    340   1     19   8   5    24     2.178   10037.608      134.0       68.2    104.910   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    341   1     20   5   5    24     2.178   10037.608       45.1       23.0     35.336   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    342   1     20   7   1    24     2.178   10037.608       63.4       32.2     49.616   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    343   1     21   3   0    12     2.178   10037.608       70.5       35.9     55.176   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    344   1      2  21   1    24     2.198   10082.520       58.6       55.1     21.018   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    345   1      7  19   6    24     2.198   10082.520      449.6      422.7    161.221   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    346   1      9  19   2    24     2.198   10082.520       50.1       47.1     17.970   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    347   1     11  15  10    24     2.198   10082.520      330.1      310.4    118.387   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    348   1     11  17   6    24     2.198   10082.520     1595.7     1500.3    572.240   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    349   1     11  18   1    24     2.198   10082.520       88.3       83.0     31.652   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    350   1     13  14   9    24     2.198   10082.520      197.2      185.4     70.706   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    351   1     14  13   9    24     2.198   10082.520      171.6      161.4     61.548   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    352   1     14  15   5    24     2.198   10082.520       53.8       50.6     19.296   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    353   1     15  11  10    24     2.198   10082.520      336.3      316.2    120.592   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    354   1     15  14   5    24     2.198   10082.520      589.2      554.0    211.308   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    355   1     17  11   6    24     2.198   10082.520      171.2      161.0     61.411   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    356   1     18  11   1    24     2.198   10082.520       75.9       71.4     27.227   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    357   1     19   7   6    24     2.198   10082.520      556.0      522.7    199.379   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    358   1     19   9   2    24     2.198   10082.520      905.2      851.1    324.621   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    359   1     21   2   1    24     2.198   10082.520        0.5        0.5      0.196   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    360   1      1  21   0    12     2.218   10128.037      175.4      135.1    272.070   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    361   1      9  19   0    12     2.218   10128.039       26.8       20.6     41.534   2.218   0.000   0.000  0.487555  0.215566  0.178510  1.000000
-    362   1     12  17   3    24     2.218   10128.039      312.4      240.4    484.776   2.218   0.000   0.000  0.487555  0.215566  0.178510  1.000000
-    363   1     17  12   3    24     2.218   10128.039       14.2       10.9     21.973   2.218   0.000   0.000  0.487555  0.215566  0.178510  1.000000
-    364   1     19   9   0    12     2.218   10128.039      196.7      151.4    305.274   2.218   0.000   0.000  0.487555  0.215566  0.178510  1.000000
-    365   1     21   1   0    12     2.218   10128.039       58.9       45.3     91.399   2.218   0.000   0.000  0.487555  0.215566  0.178510  1.000000
-    366   1      6  20   2    24     2.228   10151.030      331.2      321.6    198.800   2.228   0.000   0.000  0.488662  0.215057  0.176959  1.000000
-    367   1     10  18   4    24     2.228   10151.030       45.1       43.8     27.068   2.228   0.000   0.000  0.488662  0.215057  0.176959  1.000000
-    368   1     12  14  10    24     2.228   10151.030      244.1      237.1    146.544   2.228   0.000   0.000  0.488662  0.215057  0.176959  1.000000
-    369   1     14  12  10    24     2.228   10151.030       81.2       78.9     48.743   2.228   0.000   0.000  0.488662  0.215057  0.176959  1.000000
-    370   1     18  10   4    24     2.228   10151.030      669.6      650.3    401.931   2.228   0.000   0.000  0.488662  0.215057  0.176959  1.000000
-    371   1     20   6   2    24     2.228   10151.030      594.8      577.6    357.015   2.228   0.000   0.000  0.488662  0.215057  0.176959  1.000000
-    372   1     10  17   7    24     2.238   10174.181      148.1      145.2    104.774   2.238   0.000   0.000  0.489776  0.214547  0.175414  1.000000
-    373   1     13  13  10    24     2.238   10174.181      155.3      152.3    109.883   2.238   0.000   0.000  0.489776  0.214547  0.175414  1.000000
-    374   1     14  11  11    24     2.238   10174.181      363.2      356.1    256.969   2.238   0.000   0.000  0.489776  0.214547  0.175414  1.000000
-    375   1     17  10   7    24     2.238   10174.181     1006.7      987.2    712.304   2.238   0.000   0.000  0.489776  0.214547  0.175414  1.000000
-    376   1      6  20   0    12     2.248   10197.489        0.1        0.3      0.088   2.248   0.000   0.000  0.490898  0.214035  0.173877  1.000000
-    377   1     12  16   6    24     2.248   10197.489      786.6     1892.6    666.555   2.248   0.000   0.000  0.490898  0.214035  0.173877  1.000000
-    378   1     16  12   6    24     2.248   10197.489      200.5      482.5    169.939   2.248   0.000   0.000  0.490898  0.214035  0.173877  1.000000
-    379   1     20   6   0    12     2.248   10197.489      228.0      548.6    193.233   2.248   0.000   0.000  0.490898  0.214035  0.173877  1.000000
-    380   1      5  20   3    24     2.259   10220.958      412.0      599.0    177.308   2.259   0.000   0.000  0.492028  0.213522  0.172347  1.000000
-    381   1      8  19   3    24     2.259   10220.958      259.4      377.1    111.630   2.259   0.000   0.000  0.492028  0.213522  0.172347  1.000000
-    382   1      9  17   8    24     2.259   10220.958       48.7       70.8     20.962   2.259   0.000   0.000  0.492028  0.213522  0.172347  1.000000
-    383   1     12  13  11    24     2.259   10220.958       57.1       83.0     24.563   2.259   0.000   0.000  0.492028  0.213522  0.172347  1.000000
-    384   1     12  17   1    24     2.259   10220.958      472.2      686.5    203.215   2.259   0.000   0.000  0.492028  0.213522  0.172347  1.000000
-    385   1     13  12  11    24     2.259   10220.958      388.0      564.0    166.968   2.259   0.000   0.000  0.492028  0.213522  0.172347  1.000000
-    386   1     13  16   3    24     2.259   10220.958      323.7      470.6    139.319   2.259   0.000   0.000  0.492028  0.213522  0.172347  1.000000
-    387   1     16  13   3    24     2.259   10220.958      759.6     1104.3    326.894   2.259   0.000   0.000  0.492028  0.213522  0.172347  1.000000
-    388   1     17   9   8    24     2.259   10220.958      149.0      216.7     64.141   2.259   0.000   0.000  0.492028  0.213522  0.172347  1.000000
-    389   1     17  12   1    24     2.259   10220.958      362.1      526.3    155.811   2.259   0.000   0.000  0.492028  0.213522  0.172347  1.000000
-    390   1     19   8   3    24     2.259   10220.958        2.0        2.9      0.850   2.259   0.000   0.000  0.492028  0.213522  0.172347  1.000000
-    391   1     20   5   3    24     2.259   10220.958      175.4      255.0     75.481   2.259   0.000   0.000  0.492028  0.213522  0.172347  1.000000
-    392   1     12  12  12     8     2.269   10244.591      420.3      485.3    380.427   2.269   0.000   0.000  0.493166  0.213008  0.170824  1.000000
-    393   1     20   4   4    24     2.269   10244.591      626.8      723.7    567.259   2.269   0.000   0.000  0.493166  0.213008  0.170824  1.000000
-    394   1      9  18   5    24     2.280   10268.389       49.6       23.6     26.277   2.280   0.000   0.000  0.494311  0.212493  0.169308  1.000000
-    395   1     13  15   6    24     2.280   10268.389      689.5      327.5    365.262   2.280   0.000   0.000  0.494311  0.212493  0.169308  1.000000
-    396   1     14  15   3    24     2.280   10268.389      466.2      221.5    246.980   2.280   0.000   0.000  0.494311  0.212493  0.169308  1.000000
-    397   1     15  13   6    24     2.280   10268.389      101.8       48.4     53.950   2.280   0.000   0.000  0.494311  0.212493  0.169308  1.000000
-    398   1     15  14   3    24     2.280   10268.389      115.0       54.6     60.906   2.280   0.000   0.000  0.494311  0.212493  0.169308  1.000000
-    399   1     18   9   5    24     2.280   10268.389     1054.7      501.0    558.718   2.280   0.000   0.000  0.494311  0.212493  0.169308  1.000000
-    400   1     10  18   2    24     2.290   10292.351      193.4      369.5    468.478   2.290   0.000   0.000  0.495465  0.211977  0.167799  1.000000
-    401   1     14  14   6    24     2.290   10292.351       46.5       88.9    112.710   2.290   0.000   0.000  0.495465  0.211977  0.167799  1.000000
-    402   1     18  10   2    24     2.290   10292.351       52.5      100.2    127.109   2.290   0.000   0.000  0.495465  0.211977  0.167799  1.000000
-    403   1      5  20   1    24     2.301   10316.484      578.5      809.9    296.111   2.301   0.000   0.000  0.496627  0.211459  0.166297  1.000000
-    404   1      7  19   4    24     2.301   10316.484       44.6       62.4     22.815   2.301   0.000   0.000  0.496627  0.211459  0.166297  1.000000
-    405   1      8  19   1    24     2.301   10316.484      373.9      523.4    191.359   2.301   0.000   0.000  0.496627  0.211459  0.166297  1.000000
-    406   1     11  16   7    24     2.301   10316.484       24.6       34.4     12.579   2.301   0.000   0.000  0.496627  0.211459  0.166297  1.000000
-    407   1     11  17   4    24     2.301   10316.484       93.4      130.8     47.810   2.301   0.000   0.000  0.496627  0.211459  0.166297  1.000000
-    408   1     13  16   1    24     2.301   10316.484      273.1      382.3    139.767   2.301   0.000   0.000  0.496627  0.211459  0.166297  1.000000
-    409   1     16  11   7    24     2.301   10316.484      256.2      358.7    131.146   2.301   0.000   0.000  0.496627  0.211459  0.166297  1.000000
-    410   1     16  13   1    24     2.301   10316.484      583.4      816.7    298.617   2.301   0.000   0.000  0.496627  0.211459  0.166297  1.000000
-    411   1     17  11   4    24     2.301   10316.484       64.2       89.8     32.837   2.301   0.000   0.000  0.496627  0.211459  0.166297  1.000000
-    412   1     19   7   4    24     2.301   10316.484       88.6      124.1     45.360   2.301   0.000   0.000  0.496627  0.211459  0.166297  1.000000
-    413   1     19   8   1    24     2.301   10316.484      155.4      217.6     79.563   2.301   0.000   0.000  0.496627  0.211459  0.166297  1.000000
-    414   1     20   5   1    24     2.301   10316.484      265.9      372.3    136.119   2.301   0.000   0.000  0.496627  0.211459  0.166297  1.000000
-    415   1      8  18   6    24     2.312   10340.785      103.1      284.8    189.692   2.312   0.000   0.000  0.497796  0.210941  0.164802  1.000000
-    416   1     10  18   0    12     2.312   10340.785      287.5      794.2    529.012   2.312   0.000   0.000  0.497796  0.210941  0.164802  1.000000
-    417   1     18   8   6    24     2.312   10340.785       60.8      167.9    111.823   2.312   0.000   0.000  0.497796  0.210941  0.164802  1.000000
-    418   1     18  10   0    12     2.312   10340.785       85.9      237.2    157.999   2.312   0.000   0.000  0.497796  0.210941  0.164802  1.000000
-    419   1      6  19   5    24     2.323   10365.262       56.0      187.5    126.689   2.323   0.000   0.000  0.498975  0.210421  0.163314  1.000000
-    420   1     14  15   1    24     2.323   10365.262       36.4      122.0     82.446   2.323   0.000   0.000  0.498975  0.210421  0.163314  1.000000
+    361   1      9  19   0    12     2.218   10128.037       26.8       20.6     41.564   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
+    362   1     12  17   3    24     2.218   10128.037      312.6      240.7    484.916   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
+    363   1     17  12   3    24     2.218   10128.037       14.2       10.9     22.009   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
+    364   1     19   9   0    12     2.218   10128.037      196.8      151.6    305.329   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
+    365   1     21   1   0    12     2.218   10128.037       58.9       45.4     91.374   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
+    366   1      6  20   2    24     2.228   10151.030      331.4      321.9    198.866   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
+    367   1     10  18   4    24     2.228   10151.030       45.1       43.8     27.057   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
+    368   1     12  14  10    24     2.228   10151.030      244.2      237.2    146.546   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
+    369   1     14  12  10    24     2.228   10151.030       81.2       78.9     48.740   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
+    370   1     18  10   4    24     2.228   10151.030      670.0      650.7    402.036   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
+    371   1     20   6   2    24     2.228   10151.030      595.2      578.1    357.142   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
+    372   1     10  17   7    24     2.238   10174.180      148.2      145.3    104.796   2.238   0.000   0.000  0.489776  0.214545  0.175414  1.000000
+    373   1     13  13  10    24     2.238   10174.180      155.4      152.4    109.936   2.238   0.000   0.000  0.489776  0.214545  0.175414  1.000000
+    374   1     14  11  11    24     2.238   10174.180      363.4      356.3    256.997   2.238   0.000   0.000  0.489776  0.214545  0.175414  1.000000
+    375   1     17  10   7    24     2.238   10174.180     1007.4      987.9    712.512   2.238   0.000   0.000  0.489776  0.214545  0.175414  1.000000
+    376   1      6  20   0    12     2.248   10197.489        0.1        0.3      0.088   2.248   0.000   0.000  0.490898  0.214033  0.173877  1.000000
+    377   1     12  16   6    24     2.248   10197.489      787.1     1893.5    666.730   2.248   0.000   0.000  0.490898  0.214033  0.173877  1.000000
+    378   1     16  12   6    24     2.248   10197.489      200.7      482.7    169.980   2.248   0.000   0.000  0.490898  0.214033  0.173877  1.000000
+    379   1     20   6   0    12     2.248   10197.489      228.2      549.0    193.299   2.248   0.000   0.000  0.490898  0.214033  0.173877  1.000000
+    380   1      5  20   3    24     2.259   10220.958      412.3      599.2    177.352   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    381   1      8  19   3    24     2.259   10220.958      259.6      377.3    111.670   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    382   1      9  17   8    24     2.259   10220.958       48.7       70.8     20.964   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    383   1     12  13  11    24     2.259   10220.958       57.1       83.0     24.560   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    384   1     12  17   1    24     2.259   10220.958      472.5      686.7    203.234   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    385   1     13  12  11    24     2.259   10220.958      388.3      564.3    167.019   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    386   1     13  16   3    24     2.259   10220.958      323.9      470.8    139.348   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    387   1     16  13   3    24     2.259   10220.958      760.1     1104.7    326.957   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    388   1     17   9   8    24     2.259   10220.958      149.2      216.8     64.170   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    389   1     17  12   1    24     2.259   10220.958      362.3      526.6    155.856   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    390   1     19   8   3    24     2.259   10220.958        2.0        2.9      0.852   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    391   1     20   5   3    24     2.259   10220.958      175.5      255.0     75.480   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    392   1     12  12  12     8     2.269   10244.591      420.6      485.6    380.494   2.269   0.000   0.000  0.493166  0.213006  0.170824  1.000000
+    393   1     20   4   4    24     2.269   10244.591      627.2      724.2    567.425   2.269   0.000   0.000  0.493166  0.213006  0.170824  1.000000
+    394   1      9  18   5    24     2.280   10268.387       49.7       23.6     26.291   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
+    395   1     13  15   6    24     2.280   10268.387      689.9      327.8    365.308   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
+    396   1     14  15   3    24     2.280   10268.387      466.5      221.7    247.037   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
+    397   1     15  13   6    24     2.280   10268.387      102.0       48.4     53.992   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
+    398   1     15  14   3    24     2.280   10268.387      115.1       54.7     60.925   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
+    399   1     18   9   5    24     2.280   10268.387     1055.5      501.5    558.916   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
+    400   1     10  18   2    24     2.290   10292.351      193.6      369.8    468.663   2.290   0.000   0.000  0.495465  0.211975  0.167799  1.000000
+    401   1     14  14   6    24     2.290   10292.351       46.5       88.9    112.662   2.290   0.000   0.000  0.495465  0.211975  0.167799  1.000000
+    402   1     18  10   2    24     2.290   10292.351       52.5      100.4    127.229   2.290   0.000   0.000  0.495465  0.211975  0.167799  1.000000
+    403   1      5  20   1    24     2.301   10316.482      578.9      810.3    296.196   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
+    404   1      7  19   4    24     2.301   10316.482       44.6       62.4     22.820   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
+    405   1      8  19   1    24     2.301   10316.482      374.0      523.6    191.378   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
+    406   1     11  16   7    24     2.301   10316.482       24.6       34.4     12.584   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
+    407   1     11  17   4    24     2.301   10316.482       93.4      130.8     47.812   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
+    408   1     13  16   1    24     2.301   10316.482      273.3      382.5    139.809   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
+    409   1     16  11   7    24     2.301   10316.482      256.3      358.7    131.130   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
+    410   1     16  13   1    24     2.301   10316.482      583.8      817.2    298.700   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
+    411   1     17  11   4    24     2.301   10316.482       64.3       89.9     32.874   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
+    412   1     19   7   4    24     2.301   10316.482       88.7      124.1     45.377   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
+    413   1     19   8   1    24     2.301   10316.482      155.5      217.7     79.564   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
+    414   1     20   5   1    24     2.301   10316.482      266.2      372.6    136.178   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
+    415   1      8  18   6    24     2.312   10340.785      103.2      285.0    189.752   2.312   0.000   0.000  0.497796  0.210939  0.164802  1.000000
+    416   1     10  18   0    12     2.312   10340.785      287.6      794.7    529.117   2.312   0.000   0.000  0.497796  0.210939  0.164802  1.000000
+    417   1     18   8   6    24     2.312   10340.785       60.8      168.1    111.898   2.312   0.000   0.000  0.497796  0.210939  0.164802  1.000000
+    418   1     18  10   0    12     2.312   10340.785       85.9      237.3    157.978   2.312   0.000   0.000  0.497796  0.210939  0.164802  1.000000
+    419   1      6  19   5    24     2.323   10365.262       56.0      187.7    126.720   2.323   0.000   0.000  0.498975  0.210419  0.163314  1.000000
+    420   1     14  15   1    24     2.323   10365.262       36.5      122.2     82.512   2.323   0.000   0.000  0.498975  0.210419  0.163314  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    421   1     15  14   1    24     2.323   10365.262      270.7      906.7    612.479   2.323   0.000   0.000  0.498975  0.210421  0.163314  1.000000
-    422   1     18   7   7    24     2.323   10365.262       85.0      284.8    192.409   2.323   0.000   0.000  0.498975  0.210421  0.163314  1.000000
-    423   1     19   6   5    24     2.323   10365.262       42.5      142.3     96.111   2.323   0.000   0.000  0.498975  0.210421  0.163314  1.000000
-    424   1      4  20   2    24     2.334   10389.911      681.3      688.0    752.115   2.334   0.000   0.000  0.500161  0.209899  0.161833  1.000000
-    425   1     10  16   8    24     2.334   10389.911      202.8      204.8    223.902   2.334   0.000   0.000  0.500161  0.209899  0.161833  1.000000
-    426   1     16  10   8    24     2.334   10389.911       69.9       70.6     77.214   2.334   0.000   0.000  0.500161  0.209899  0.161833  1.000000
-    427   1     20   4   2    24     2.334   10389.911       58.5       59.1     64.576   2.334   0.000   0.000  0.500161  0.209899  0.161833  1.000000
-    428   1     12  15   7    24     2.345   10414.737       72.7      110.0     66.247   2.345   0.000   0.000  0.501356  0.209377  0.160359  1.000000
-    429   1     15  12   7    24     2.345   10414.737      113.6      172.0    103.552   2.345   0.000   0.000  0.501356  0.209377  0.160359  1.000000
-    430   1     16   9   9    24     2.345   10414.737       21.1       31.9     19.191   2.345   0.000   0.000  0.501356  0.209377  0.160359  1.000000
-    431   1     20   3   3    24     2.345   10414.737     1058.0     1601.7    964.214   2.345   0.000   0.000  0.501356  0.209377  0.160359  1.000000
-    432   1      4  20   0    12     2.356   10439.743       44.2       21.8     25.788   2.356   0.000   0.000  0.502560  0.208853  0.158892  1.000000
-    433   1     12  16   4    24     2.356   10439.743      915.7      451.3    534.196   2.356   0.000   0.000  0.502560  0.208853  0.158892  1.000000
-    434   1     16  12   4    24     2.356   10439.743      851.9      419.9    497.001   2.356   0.000   0.000  0.502560  0.208853  0.158892  1.000000
-    435   1     20   4   0    12     2.356   10439.743      206.2      101.6    120.310   2.356   0.000   0.000  0.502560  0.208853  0.158892  1.000000
-    436   1      7  19   2    24     2.368   10464.930      161.9       98.5     69.927   2.368   0.000   0.000  0.503773  0.208328  0.157432  1.000000
-    437   1      9  18   3    24     2.368   10464.930      213.5      129.9     92.203   2.368   0.000   0.000  0.503773  0.208328  0.157432  1.000000
-    438   1     10  17   5    24     2.368   10464.930       80.1       48.8     34.610   2.368   0.000   0.000  0.503773  0.208328  0.157432  1.000000
-    439   1     11  17   2    24     2.368   10464.930      317.0      192.9    136.908   2.368   0.000   0.000  0.503773  0.208328  0.157432  1.000000
-    440   1     13  14   7    24     2.368   10464.930     1351.9      822.8    583.792   2.368   0.000   0.000  0.503773  0.208328  0.157432  1.000000
-    441   1     14  13   7    24     2.368   10464.930      152.1       92.6     65.687   2.368   0.000   0.000  0.503773  0.208328  0.157432  1.000000
-    442   1     17  10   5    24     2.368   10464.930      729.6      444.1    315.083   2.368   0.000   0.000  0.503773  0.208328  0.157432  1.000000
-    443   1     17  11   2    24     2.368   10464.930      103.3       62.9     44.600   2.368   0.000   0.000  0.503773  0.208328  0.157432  1.000000
-    444   1     18   9   3    24     2.368   10464.930       49.8       30.3     21.491   2.368   0.000   0.000  0.503773  0.208328  0.157432  1.000000
-    445   1     19   7   2    24     2.368   10464.930      477.8      290.8    206.349   2.368   0.000   0.000  0.503773  0.208328  0.157432  1.000000
-    446   1      3  20   1    24     2.391   10515.854      371.0      452.2    163.355   2.391   0.000   0.000  0.506224  0.207274  0.154534  1.000000
-    447   1      7  19   0    12     2.391   10515.854      146.2      178.2     64.372   2.391   0.000   0.000  0.506224  0.207274  0.154534  1.000000
-    448   1     11  15   8    24     2.391   10515.854      511.6      623.6    225.252   2.391   0.000   0.000  0.506224  0.207274  0.154534  1.000000
-    449   1     11  17   0    12     2.391   10515.854       56.8       69.2     24.999   2.391   0.000   0.000  0.506224  0.207274  0.154534  1.000000
-    450   1     13  15   4    24     2.391   10515.854      165.9      202.2     73.038   2.391   0.000   0.000  0.506224  0.207274  0.154534  1.000000
-    451   1     15  11   8    24     2.391   10515.854      781.8      953.0    344.245   2.391   0.000   0.000  0.506224  0.207274  0.154534  1.000000
-    452   1     15  13   4    24     2.391   10515.854      857.9     1045.7    377.758   2.391   0.000   0.000  0.506224  0.207274  0.154534  1.000000
-    453   1     17  11   0    12     2.391   10515.854        1.3        1.6      0.589   2.391   0.000   0.000  0.506224  0.207274  0.154534  1.000000
-    454   1     19   7   0    12     2.391   10515.854       18.9       23.0      8.301   2.391   0.000   0.000  0.506224  0.207274  0.154534  1.000000
-    455   1     20   3   1    24     2.391   10515.854      699.4      852.5    307.966   2.391   0.000   0.000  0.506224  0.207274  0.154534  1.000000
-    456   1     14  14   4    24     2.402   10541.596      785.4     1997.2    747.805   2.402   0.000   0.000  0.507463  0.206746  0.153095  1.000000
-    457   1     20   2   2    24     2.402   10541.596      302.2      768.5    287.726   2.402   0.000   0.000  0.507463  0.206746  0.153095  1.000000
-    458   1      6  19   3    24     2.414   10567.529      118.0      123.2     38.274   2.414   0.000   0.000  0.508712  0.206215  0.151663  1.000000
-    459   1      9  17   6    24     2.414   10567.529      226.9      237.0     73.592   2.414   0.000   0.000  0.508712  0.206215  0.151663  1.000000
-    460   1      9  18   1    24     2.414   10567.529      566.1      591.2    183.582   2.414   0.000   0.000  0.508712  0.206215  0.151663  1.000000
-    461   1     10  15   9    24     2.414   10567.529      944.7      986.5    306.357   2.414   0.000   0.000  0.508712  0.206215  0.151663  1.000000
-    462   1     15  10   9    24     2.414   10567.529      496.8      518.8    161.112   2.414   0.000   0.000  0.508712  0.206215  0.151663  1.000000
-    463   1     17   9   6    24     2.414   10567.529     1018.1     1063.2    330.162   2.414   0.000   0.000  0.508712  0.206215  0.151663  1.000000
-    464   1     18   9   1    24     2.414   10567.529      105.4      110.0     34.167   2.414   0.000   0.000  0.508712  0.206215  0.151663  1.000000
-    465   1     19   6   3    24     2.414   10567.529     1223.9     1278.1    396.919   2.414   0.000   0.000  0.508712  0.206215  0.151663  1.000000
-    466   1      2  20   0    12     2.426   10593.655       74.7      122.0     45.798   2.426   0.000   0.000  0.509969  0.205684  0.150239  1.000000
-    467   1      8  18   4    24     2.426   10593.655      115.4      188.6     70.782   2.426   0.000   0.000  0.509969  0.205684  0.150239  1.000000
-    468   1     12  14   8    24     2.426   10593.655      102.5      167.5     62.878   2.426   0.000   0.000  0.509969  0.205684  0.150239  1.000000
-    469   1     12  16   2    24     2.426   10593.655      361.5      590.7    221.663   2.426   0.000   0.000  0.509969  0.205684  0.150239  1.000000
-    470   1     14  12   8    24     2.426   10593.655      341.0      557.3    209.143   2.426   0.000   0.000  0.509969  0.205684  0.150239  1.000000
-    471   1     16  12   2    24     2.426   10593.655      371.9      607.8    228.086   2.426   0.000   0.000  0.509969  0.205684  0.150239  1.000000
-    472   1     18   8   4    24     2.426   10593.655      461.9      754.9    283.287   2.426   0.000   0.000  0.509969  0.205684  0.150239  1.000000
-    473   1     20   2   0    12     2.426   10593.655       39.6       64.6     24.258   2.426   0.000   0.000  0.509969  0.205684  0.150239  1.000000
-    474   1      5  19   4    24     2.438   10619.974      357.5      854.0    259.874   2.438   0.000   0.000  0.511236  0.205151  0.148821  1.000000
-    475   1      8  17   7    24     2.438   10619.974      120.4      287.8     87.563   2.438   0.000   0.000  0.511236  0.205151  0.148821  1.000000
-    476   1     11  16   5    24     2.438   10619.974      183.4      438.2    133.335   2.438   0.000   0.000  0.511236  0.205151  0.148821  1.000000
-    477   1     13  13   8    24     2.438   10619.974       88.4      211.2     64.268   2.438   0.000   0.000  0.511236  0.205151  0.148821  1.000000
-    478   1     16  11   5    24     2.438   10619.974      640.4     1529.9    465.541   2.438   0.000   0.000  0.511236  0.205151  0.148821  1.000000
-    479   1     17   8   7    24     2.438   10619.974       24.9       59.5     18.103   2.438   0.000   0.000  0.511236  0.205151  0.148821  1.000000
-    480   1     19   5   4    24     2.438   10619.974      212.6      507.8    154.529   2.438   0.000   0.000  0.511236  0.205151  0.148821  1.000000
+    421   1     15  14   1    24     2.323   10365.262      271.0      907.4    612.710   2.323   0.000   0.000  0.498975  0.210419  0.163314  1.000000
+    422   1     18   7   7    24     2.323   10365.262       85.1      284.9    192.387   2.323   0.000   0.000  0.498975  0.210419  0.163314  1.000000
+    423   1     19   6   5    24     2.323   10365.262       42.5      142.4     96.151   2.323   0.000   0.000  0.498975  0.210419  0.163314  1.000000
+    424   1      4  20   2    24     2.334   10389.911      681.8      688.5    752.243   2.334   0.000   0.000  0.500161  0.209897  0.161833  1.000000
+    425   1     10  16   8    24     2.334   10389.911      203.0      205.0    223.978   2.334   0.000   0.000  0.500161  0.209897  0.161833  1.000000
+    426   1     16  10   8    24     2.334   10389.911       70.0       70.7     77.275   2.334   0.000   0.000  0.500161  0.209897  0.161833  1.000000
+    427   1     20   4   2    24     2.334   10389.911       58.6       59.1     64.605   2.334   0.000   0.000  0.500161  0.209897  0.161833  1.000000
+    428   1     12  15   7    24     2.345   10414.737       72.7      110.1     66.268   2.345   0.000   0.000  0.501356  0.209375  0.160359  1.000000
+    429   1     15  12   7    24     2.345   10414.737      113.7      172.1    103.570   2.345   0.000   0.000  0.501356  0.209375  0.160359  1.000000
+    430   1     16   9   9    24     2.345   10414.737       21.1       31.9     19.192   2.345   0.000   0.000  0.501356  0.209375  0.160359  1.000000
+    431   1     20   3   3    24     2.345   10414.737     1058.6     1602.7    964.407   2.345   0.000   0.000  0.501356  0.209375  0.160359  1.000000
+    432   1      4  20   0    12     2.356   10439.743       44.3       21.8     25.816   2.356   0.000   0.000  0.502560  0.208851  0.158892  1.000000
+    433   1     12  16   4    24     2.356   10439.743      916.3      451.7    534.314   2.356   0.000   0.000  0.502560  0.208851  0.158892  1.000000
+    434   1     16  12   4    24     2.356   10439.743      852.5      420.3    497.111   2.356   0.000   0.000  0.502560  0.208851  0.158892  1.000000
+    435   1     20   4   0    12     2.356   10439.743      206.4      101.8    120.361   2.356   0.000   0.000  0.502560  0.208851  0.158892  1.000000
+    436   1      7  19   2    24     2.368   10464.930      162.0       98.6     69.942   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    437   1      9  18   3    24     2.368   10464.930      213.7      130.0     92.230   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    438   1     10  17   5    24     2.368   10464.930       80.2       48.8     34.618   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    439   1     11  17   2    24     2.368   10464.930      317.2      193.1    136.938   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    440   1     13  14   7    24     2.368   10464.930     1352.9      823.4    584.006   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    441   1     14  13   7    24     2.368   10464.930      152.2       92.6     65.707   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    442   1     17  10   5    24     2.368   10464.930      730.1      444.4    315.173   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    443   1     17  11   2    24     2.368   10464.930      103.4       62.9     44.620   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    444   1     18   9   3    24     2.368   10464.930       49.8       30.3     21.497   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    445   1     19   7   2    24     2.368   10464.930      478.1      291.0    206.372   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    446   1      3  20   1    24     2.391   10515.854      371.2      452.4    163.380   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
+    447   1      7  19   0    12     2.391   10515.854      146.3      178.3     64.393   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
+    448   1     11  15   8    24     2.391   10515.854      511.8      623.8    225.280   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
+    449   1     11  17   0    12     2.391   10515.854       56.8       69.2     25.008   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
+    450   1     13  15   4    24     2.391   10515.854      166.1      202.4     73.090   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
+    451   1     15  11   8    24     2.391   10515.854      782.3      953.5    344.324   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
+    452   1     15  13   4    24     2.391   10515.854      858.5     1046.3    377.856   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
+    453   1     17  11   0    12     2.391   10515.854        1.3        1.6      0.594   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
+    454   1     19   7   0    12     2.391   10515.854       18.9       23.0      8.308   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
+    455   1     20   3   1    24     2.391   10515.854      699.7      852.8    307.975   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
+    456   1     14  14   4    24     2.402   10541.596      786.0     1998.0    747.935   2.402   0.000   0.000  0.507463  0.206744  0.153095  1.000000
+    457   1     20   2   2    24     2.402   10541.596      302.5      769.1    287.892   2.402   0.000   0.000  0.507463  0.206744  0.153095  1.000000
+    458   1      6  19   3    24     2.414   10567.529      118.1      123.3     38.285   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    459   1      9  17   6    24     2.414   10567.529      227.1      237.1     73.615   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    460   1      9  18   1    24     2.414   10567.529      566.4      591.4    183.624   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    461   1     10  15   9    24     2.414   10567.529      945.2      986.9    306.440   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    462   1     15  10   9    24     2.414   10567.529      497.2      519.2    161.198   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    463   1     17   9   6    24     2.414   10567.529     1018.5     1063.5    330.219   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    464   1     18   9   1    24     2.414   10567.529      105.4      110.1     34.179   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    465   1     19   6   3    24     2.414   10567.529     1224.4     1278.5    396.960   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    466   1      2  20   0    12     2.426   10593.653       74.7      122.1     45.800   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    467   1      8  18   4    24     2.426   10593.653      115.6      188.8     70.853   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    468   1     12  14   8    24     2.426   10593.653      102.6      167.6     62.892   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    469   1     12  16   2    24     2.426   10593.653      361.6      590.9    221.687   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    470   1     14  12   8    24     2.426   10593.653      341.2      557.5    209.187   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    471   1     16  12   2    24     2.426   10593.653      372.0      607.8    228.058   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    472   1     18   8   4    24     2.426   10593.653      462.3      755.3    283.389   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    473   1     20   2   0    12     2.426   10593.653       39.6       64.7     24.276   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    474   1      5  19   4    24     2.438   10619.974      357.7      854.4    259.958   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
+    475   1      8  17   7    24     2.438   10619.974      120.5      287.9     87.583   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
+    476   1     11  16   5    24     2.438   10619.974      183.5      438.3    133.341   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
+    477   1     13  13   8    24     2.438   10619.974       88.5      211.4     64.320   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
+    478   1     16  11   5    24     2.438   10619.974      640.9     1530.9    465.783   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
+    479   1     17   8   7    24     2.438   10619.974       24.9       59.5     18.112   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
+    480   1     19   5   4    24     2.438   10619.974      212.6      507.9    154.522   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    481   1     20   1   1    24     2.438   10619.974      262.8      627.8    191.029   2.438   0.000   0.000  0.511236  0.205151  0.148821  1.000000
-    482   1     12  16   0    12     2.451   10646.490       50.7      358.1    160.818   2.451   0.000   0.000  0.512513  0.204617  0.147410  1.000000
-    483   1     16  12   0    12     2.451   10646.490       71.9      508.1    228.177   2.451   0.000   0.000  0.512513  0.204617  0.147410  1.000000
-    484   1     20   0   0     6     2.451   10646.490       96.3      680.4    305.589   2.451   0.000   0.000  0.512513  0.204617  0.147410  1.000000
-    485   1      6  19   1    24     2.463   10673.206      322.3      449.7    149.781   2.463   0.000   0.000  0.513799  0.204082  0.146007  1.000000
-    486   1      7  18   5    24     2.463   10673.206      354.3      494.4    164.648   2.463   0.000   0.000  0.513799  0.204082  0.146007  1.000000
-    487   1     10  17   3    24     2.463   10673.206      114.1      159.2     53.009   2.463   0.000   0.000  0.513799  0.204082  0.146007  1.000000
-    488   1     11  14   9    24     2.463   10673.206      147.4      205.6     68.481   2.463   0.000   0.000  0.513799  0.204082  0.146007  1.000000
-    489   1     13  15   2    24     2.463   10673.206        3.8        5.3      1.760   2.463   0.000   0.000  0.513799  0.204082  0.146007  1.000000
-    490   1     14  11   9    24     2.463   10673.206      564.9      788.2    262.503   2.463   0.000   0.000  0.513799  0.204082  0.146007  1.000000
-    491   1     15  13   2    24     2.463   10673.206      336.8      469.9    156.494   2.463   0.000   0.000  0.513799  0.204082  0.146007  1.000000
-    492   1     17  10   3    24     2.463   10673.206     1076.6     1502.1    500.266   2.463   0.000   0.000  0.513799  0.204082  0.146007  1.000000
-    493   1     18   7   5    24     2.463   10673.206       75.3      105.1     35.008   2.463   0.000   0.000  0.513799  0.204082  0.146007  1.000000
-    494   1     19   6   1    24     2.463   10673.206      134.9      188.3     62.696   2.463   0.000   0.000  0.513799  0.204082  0.146007  1.000000
-    495   1     14  10  10    24     2.475   10700.126      210.3      292.5    143.075   2.475   0.000   0.000  0.515095  0.203545  0.144610  1.000000
-    496   1     14  14   2    24     2.475   10700.126      267.9      372.6    182.269   2.475   0.000   0.000  0.515095  0.203545  0.144610  1.000000
-    497   1     18   6   6    24     2.475   10700.126     1237.9     1721.7    842.155   2.475   0.000   0.000  0.515095  0.203545  0.144610  1.000000
-    498   1     12  13   9    24     2.488   10727.249      109.3      346.3    113.948   2.488   0.000   0.000  0.516400  0.203007  0.143221  1.000000
-    499   1     12  15   5    24     2.488   10727.249       10.5       33.1     10.901   2.488   0.000   0.000  0.516400  0.203007  0.143221  1.000000
-    500   1     13  12   9    24     2.488   10727.249      738.9     2340.6    770.149   2.488   0.000   0.000  0.516400  0.203007  0.143221  1.000000
-    501   1     13  15   0    12     2.488   10727.249      189.8      601.3    197.843   2.488   0.000   0.000  0.516400  0.203007  0.143221  1.000000
-    502   1     15  12   5    24     2.488   10727.249       57.4      181.9     59.868   2.488   0.000   0.000  0.516400  0.203007  0.143221  1.000000
-    503   1     15  13   0    12     2.488   10727.249        2.4        7.5      2.475   2.488   0.000   0.000  0.516400  0.203007  0.143221  1.000000
-    504   1      8  18   2    24     2.501   10754.579      780.7     1146.3    300.996   2.501   0.000   0.000  0.517716  0.202467  0.141839  1.000000
-    505   1     10  16   6    24     2.501   10754.579     1153.1     1693.3    444.607   2.501   0.000   0.000  0.517716  0.202467  0.141839  1.000000
-    506   1     14  14   0    12     2.501   10754.579       33.0       48.5     12.736   2.501   0.000   0.000  0.517716  0.202467  0.141839  1.000000
-    507   1     16  10   6    24     2.501   10754.579      893.2     1311.6    344.386   2.501   0.000   0.000  0.517716  0.202467  0.141839  1.000000
-    508   1     18   8   2    24     2.501   10754.579      921.6     1353.2    355.320   2.501   0.000   0.000  0.517716  0.202467  0.141839  1.000000
-    509   1      5  19   2    24     2.513   10782.120       66.6      139.7     29.793   2.513   0.000   0.000  0.519042  0.201927  0.140463  1.000000
-    510   1     10  17   1    24     2.513   10782.120      759.9     1593.3    339.720   2.513   0.000   0.000  0.519042  0.201927  0.140463  1.000000
-    511   1     11  13  10    24     2.513   10782.120      201.1      421.7     89.910   2.513   0.000   0.000  0.519042  0.201927  0.140463  1.000000
-    512   1     13  11  10    24     2.513   10782.120      246.0      515.7    109.954   2.513   0.000   0.000  0.519042  0.201927  0.140463  1.000000
-    513   1     13  14   5    24     2.513   10782.120       34.4       72.1     15.366   2.513   0.000   0.000  0.519042  0.201927  0.140463  1.000000
-    514   1     14  13   5    24     2.513   10782.120      920.9     1930.7    411.657   2.513   0.000   0.000  0.519042  0.201927  0.140463  1.000000
-    515   1     17  10   1    24     2.513   10782.120      197.7      414.4     88.358   2.513   0.000   0.000  0.519042  0.201927  0.140463  1.000000
-    516   1     19   5   2    24     2.513   10782.120      743.8     1559.4    332.492   2.513   0.000   0.000  0.519042  0.201927  0.140463  1.000000
-    517   1      8  18   0    12     2.526   10809.874     1829.9     4221.8   1072.519   2.526   0.000   0.000  0.520378  0.201384  0.139095  1.000000
-    518   1     12  12  10    24     2.526   10809.874      508.2     1172.4    297.836   2.526   0.000   0.000  0.520378  0.201384  0.139095  1.000000
-    519   1     18   8   0    12     2.526   10809.874        4.0        9.3      2.358   2.526   0.000   0.000  0.520378  0.201384  0.139095  1.000000
-    520   1      4  19   3    24     2.539   10837.842       54.5      149.3     47.531   2.539   0.000   0.000  0.521724  0.200841  0.137733  1.000000
-    521   1      5  19   0    12     2.539   10837.842       78.6      215.7     68.641   2.539   0.000   0.000  0.521724  0.200841  0.137733  1.000000
-    522   1      9  16   7    24     2.539   10837.842       70.4      193.2     61.481   2.539   0.000   0.000  0.521724  0.200841  0.137733  1.000000
-    523   1      9  17   4    24     2.539   10837.842      614.3     1685.0    536.248   2.539   0.000   0.000  0.521724  0.200841  0.137733  1.000000
-    524   1     11  16   3    24     2.539   10837.842      401.4     1101.0    350.398   2.539   0.000   0.000  0.521724  0.200841  0.137733  1.000000
-    525   1     12  11  11    24     2.539   10837.842       41.8      114.6     36.479   2.539   0.000   0.000  0.521724  0.200841  0.137733  1.000000
-    526   1     16   9   7    24     2.539   10837.842       94.2      258.3     82.217   2.539   0.000   0.000  0.521724  0.200841  0.137733  1.000000
-    527   1     16  11   3    24     2.539   10837.842       12.2       33.4     10.637   2.539   0.000   0.000  0.521724  0.200841  0.137733  1.000000
-    528   1     17   9   4    24     2.539   10837.842      205.0      562.3    178.953   2.539   0.000   0.000  0.521724  0.200841  0.137733  1.000000
-    529   1     19   4   3    24     2.539   10837.842       30.5       83.6     26.615   2.539   0.000   0.000  0.521724  0.200841  0.137733  1.000000
-    530   1     19   5   0    12     2.539   10837.842       88.8      243.5     77.505   2.539   0.000   0.000  0.521724  0.200841  0.137733  1.000000
-    531   1     16   8   8    24     2.553   10866.030      147.9      928.2    729.097   2.553   0.000   0.000  0.523081  0.200296  0.136379  1.000000
-    532   1      7  18   3    24     2.566   10894.438      963.5     4002.5   1289.454   2.566   0.000   0.000  0.524449  0.199749  0.135032  1.000000
-    533   1     11  15   6    24     2.566   10894.438       17.9       74.3     23.935   2.566   0.000   0.000  0.524449  0.199749  0.135032  1.000000
-    534   1     15  11   6    24     2.566   10894.438       13.8       57.2     18.416   2.566   0.000   0.000  0.524449  0.199749  0.135032  1.000000
-    535   1     18   7   3    24     2.566   10894.438      303.6     1261.1    406.285   2.566   0.000   0.000  0.524449  0.199749  0.135032  1.000000
-    536   1      4  19   1    24     2.593   10951.928      755.2      763.3    286.582   2.593   0.000   0.000  0.527216  0.198652  0.132358  1.000000
-    537   1      8  17   5    24     2.593   10951.928      836.9      846.0    317.612   2.593   0.000   0.000  0.527216  0.198652  0.132358  1.000000
-    538   1     11  16   1    24     2.593   10951.928      202.0      204.2     76.662   2.593   0.000   0.000  0.527216  0.198652  0.132358  1.000000
-    539   1     12  15   3    24     2.593   10951.928       84.5       85.4     32.064   2.593   0.000   0.000  0.527216  0.198652  0.132358  1.000000
-    540   1     15  12   3    24     2.593   10951.928      428.1      432.7    162.451   2.593   0.000   0.000  0.527216  0.198652  0.132358  1.000000
+    481   1     20   1   1    24     2.438   10619.974      262.9      627.9    191.030   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
+    482   1     12  16   0    12     2.451   10646.490       50.7      358.2    160.837   2.451   0.000   0.000  0.512513  0.204615  0.147410  1.000000
+    483   1     16  12   0    12     2.451   10646.490       71.9      508.2    228.194   2.451   0.000   0.000  0.512513  0.204615  0.147410  1.000000
+    484   1     20   0   0     6     2.451   10646.490       96.4      680.8    305.703   2.451   0.000   0.000  0.512513  0.204615  0.147410  1.000000
+    485   1      6  19   1    24     2.463   10673.206      322.6      450.0    149.837   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    486   1      7  18   5    24     2.463   10673.206      354.6      494.7    164.700   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    487   1     10  17   3    24     2.463   10673.206      114.2      159.3     53.023   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    488   1     11  14   9    24     2.463   10673.206      147.5      205.8     68.529   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    489   1     13  15   2    24     2.463   10673.206        3.8        5.3      1.753   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    490   1     14  11   9    24     2.463   10673.206      565.3      788.6    262.564   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    491   1     15  13   2    24     2.463   10673.206      337.0      470.1    156.525   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    492   1     17  10   3    24     2.463   10673.206     1077.3     1502.8    500.365   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    493   1     18   7   5    24     2.463   10673.206       75.4      105.2     35.020   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    494   1     19   6   1    24     2.463   10673.206      135.0      188.3     62.687   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    495   1     14  10  10    24     2.475   10700.126      210.5      292.8    143.156   2.475   0.000   0.000  0.515095  0.203543  0.144610  1.000000
+    496   1     14  14   2    24     2.475   10700.126      267.9      372.6    182.187   2.475   0.000   0.000  0.515095  0.203543  0.144610  1.000000
+    497   1     18   6   6    24     2.475   10700.126     1238.7     1722.7    842.405   2.475   0.000   0.000  0.515095  0.203543  0.144610  1.000000
+    498   1     12  13   9    24     2.488   10727.249      109.4      346.6    114.023   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
+    499   1     12  15   5    24     2.488   10727.249       10.5       33.2     10.915   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
+    500   1     13  12   9    24     2.488   10727.249      739.2     2341.3    770.231   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
+    501   1     13  15   0    12     2.488   10727.249      189.9      601.6    197.895   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
+    502   1     15  12   5    24     2.488   10727.249       57.4      181.9     59.855   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
+    503   1     15  13   0    12     2.488   10727.249        2.4        7.5      2.475   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
+    504   1      8  18   2    24     2.501   10754.579      781.1     1146.8    301.038   2.501   0.000   0.000  0.517716  0.202466  0.141839  1.000000
+    505   1     10  16   6    24     2.501   10754.579     1154.0     1694.1    444.717   2.501   0.000   0.000  0.517716  0.202466  0.141839  1.000000
+    506   1     14  14   0    12     2.501   10754.579       33.1       48.5     12.742   2.501   0.000   0.000  0.517716  0.202466  0.141839  1.000000
+    507   1     16  10   6    24     2.501   10754.579      893.8     1312.1    344.444   2.501   0.000   0.000  0.517716  0.202466  0.141839  1.000000
+    508   1     18   8   2    24     2.501   10754.579      922.3     1354.0    355.452   2.501   0.000   0.000  0.517716  0.202466  0.141839  1.000000
+    509   1      5  19   2    24     2.513   10782.120       66.6      139.7     29.773   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
+    510   1     10  17   1    24     2.513   10782.120      760.3     1593.9    339.786   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
+    511   1     11  13  10    24     2.513   10782.120      201.3      421.9     89.937   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
+    512   1     13  11  10    24     2.513   10782.120      246.1      515.8    109.969   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
+    513   1     13  14   5    24     2.513   10782.120       34.4       72.0     15.358   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
+    514   1     14  13   5    24     2.513   10782.120      921.3     1931.4    411.736   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
+    515   1     17  10   1    24     2.513   10782.120      197.7      414.5     88.359   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
+    516   1     19   5   2    24     2.513   10782.120      744.3     1560.3    332.624   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
+    517   1      8  18   0    12     2.526   10809.874     1830.8     4223.2   1072.694   2.526   0.000   0.000  0.520378  0.201382  0.139095  1.000000
+    518   1     12  12  10    24     2.526   10809.874      508.5     1173.1    297.963   2.526   0.000   0.000  0.520378  0.201382  0.139095  1.000000
+    519   1     18   8   0    12     2.526   10809.874        4.0        9.3      2.361   2.526   0.000   0.000  0.520378  0.201382  0.139095  1.000000
+    520   1      4  19   3    24     2.539   10837.842       54.5      149.5     47.572   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    521   1      5  19   0    12     2.539   10837.842       78.7      215.8     68.657   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    522   1      9  16   7    24     2.539   10837.842       70.5      193.3     61.507   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    523   1      9  17   4    24     2.539   10837.842      614.6     1685.5    536.313   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    524   1     11  16   3    24     2.539   10837.842      401.6     1101.4    350.458   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    525   1     12  11  11    24     2.539   10837.842       41.8      114.7     36.502   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    526   1     16   9   7    24     2.539   10837.842       94.2      258.3     82.203   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    527   1     16  11   3    24     2.539   10837.842       12.2       33.4     10.634   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    528   1     17   9   4    24     2.539   10837.842      205.1      562.4    178.961   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    529   1     19   4   3    24     2.539   10837.842       30.5       83.7     26.640   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    530   1     19   5   0    12     2.539   10837.842       88.8      243.6     77.510   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    531   1     16   8   8    24     2.553   10866.028      148.1      929.0    729.402   2.553   0.000   0.000  0.523081  0.200294  0.136379  1.000000
+    532   1      7  18   3    24     2.566   10894.438      964.0     4004.5   1289.735   2.566   0.000   0.000  0.524449  0.199747  0.135032  1.000000
+    533   1     11  15   6    24     2.566   10894.438       17.9       74.3     23.934   2.566   0.000   0.000  0.524449  0.199747  0.135032  1.000000
+    534   1     15  11   6    24     2.566   10894.438       13.8       57.1     18.399   2.566   0.000   0.000  0.524449  0.199747  0.135032  1.000000
+    535   1     18   7   3    24     2.566   10894.438      303.7     1261.8    406.397   2.566   0.000   0.000  0.524449  0.199747  0.135032  1.000000
+    536   1      4  19   1    24     2.593   10951.928      755.7      763.9    286.682   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
+    537   1      8  17   5    24     2.593   10951.928      837.2      846.3    317.625   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
+    538   1     11  16   1    24     2.593   10951.928      202.1      204.3     76.686   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
+    539   1     12  15   3    24     2.593   10951.928       84.5       85.4     32.055   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
+    540   1     15  12   3    24     2.593   10951.928      428.3      433.0    162.494   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    541   1     16  11   1    24     2.593   10951.928      834.2      843.3    316.582   2.593   0.000   0.000  0.527216  0.198652  0.132358  1.000000
-    542   1     17   8   5    24     2.593   10951.928      502.7      508.1    190.755   2.593   0.000   0.000  0.527216  0.198652  0.132358  1.000000
-    543   1     19   4   1    24     2.593   10951.928      543.8      549.7    206.364   2.593   0.000   0.000  0.527216  0.198652  0.132358  1.000000
-    544   1      6  18   4    24     2.607   10981.017     1097.3     1680.9    477.738   2.607   0.000   0.000  0.528617  0.198101  0.131032  1.000000
-    545   1     12  14   6    24     2.607   10981.017       75.2      115.3     32.762   2.607   0.000   0.000  0.528617  0.198101  0.131032  1.000000
-    546   1     14  12   6    24     2.607   10981.017     1178.8     1805.8    513.243   2.607   0.000   0.000  0.528617  0.198101  0.131032  1.000000
-    547   1     18   6   4    24     2.607   10981.017      237.3      363.5    103.306   2.607   0.000   0.000  0.528617  0.198101  0.131032  1.000000
-    548   1      3  19   2    24     2.621   11010.338      132.5      171.4     26.652   2.621   0.000   0.000  0.530028  0.197549  0.129713  1.000000
-    549   1      7  17   6    24     2.621   11010.338     2218.7     2870.0    446.308   2.621   0.000   0.000  0.530028  0.197549  0.129713  1.000000
-    550   1      7  18   1    24     2.621   11010.338      120.9      156.4     24.319   2.621   0.000   0.000  0.530028  0.197549  0.129713  1.000000
-    551   1      9  17   2    24     2.621   11010.338      171.5      221.9     34.507   2.621   0.000   0.000  0.530028  0.197549  0.129713  1.000000
-    552   1     10  15   7    24     2.621   11010.338      798.8     1033.3    160.686   2.621   0.000   0.000  0.530028  0.197549  0.129713  1.000000
-    553   1     13  13   6    24     2.621   11010.338      183.1      236.8     36.822   2.621   0.000   0.000  0.530028  0.197549  0.129713  1.000000
-    554   1     13  14   3    24     2.621   11010.338     1069.7     1383.8    215.187   2.621   0.000   0.000  0.530028  0.197549  0.129713  1.000000
-    555   1     14  13   3    24     2.621   11010.338      421.1      544.7     84.711   2.621   0.000   0.000  0.530028  0.197549  0.129713  1.000000
-    556   1     15  10   7    24     2.621   11010.338      841.9     1089.0    169.351   2.621   0.000   0.000  0.530028  0.197549  0.129713  1.000000
-    557   1     17   7   6    24     2.621   11010.338      221.4      286.4     44.533   2.621   0.000   0.000  0.530028  0.197549  0.129713  1.000000
-    558   1     17   9   2    24     2.621   11010.338        5.8        7.5      1.168   2.621   0.000   0.000  0.530028  0.197549  0.129713  1.000000
-    559   1     18   5   5    24     2.621   11010.338      151.0      195.4     30.382   2.621   0.000   0.000  0.530028  0.197549  0.129713  1.000000
-    560   1     18   7   1    24     2.621   11010.338      448.1      579.7     90.147   2.621   0.000   0.000  0.530028  0.197549  0.129713  1.000000
-    561   1     19   3   2    24     2.621   11010.338     1840.5     2380.9    370.240   2.621   0.000   0.000  0.530028  0.197549  0.129713  1.000000
-    562   1     10  16   4    24     2.635   11039.896      206.0      709.3    216.371   2.635   0.000   0.000  0.531451  0.196995  0.128401  1.000000
-    563   1     16  10   4    24     2.635   11039.896      742.8     2558.0    780.376   2.635   0.000   0.000  0.531451  0.196995  0.128401  1.000000
-    564   1      3  19   0    12     2.649   11069.694      128.2      302.6    133.638   2.649   0.000   0.000  0.532885  0.196440  0.127096  1.000000
-    565   1      9  15   8    24     2.649   11069.694      300.2      708.7    312.982   2.649   0.000   0.000  0.532885  0.196440  0.127096  1.000000
-    566   1      9  17   0    12     2.649   11069.694      101.6      239.9    105.939   2.649   0.000   0.000  0.532885  0.196440  0.127096  1.000000
-    567   1     12  15   1    24     2.649   11069.694      119.1      281.1    124.152   2.649   0.000   0.000  0.532885  0.196440  0.127096  1.000000
-    568   1     15   9   8    24     2.649   11069.694      747.3     1764.2    779.135   2.649   0.000   0.000  0.532885  0.196440  0.127096  1.000000
-    569   1     15  12   1    24     2.649   11069.694      190.8      450.5    198.940   2.649   0.000   0.000  0.532885  0.196440  0.127096  1.000000
-    570   1     17   9   0    12     2.649   11069.694        7.7       18.2      8.043   2.649   0.000   0.000  0.532885  0.196440  0.127096  1.000000
-    571   1     19   3   0    12     2.649   11069.694        5.0       11.7      5.169   2.649   0.000   0.000  0.532885  0.196440  0.127096  1.000000
-    572   1      2  19   1    24     2.678   11130.020      360.3      787.3    161.151   2.678   0.000   0.000  0.535789  0.195325  0.124507  1.000000
-    573   1     11  14   7    24     2.678   11130.020      927.7     2026.9    414.891   2.678   0.000   0.000  0.535789  0.195325  0.124507  1.000000
-    574   1     13  14   1    24     2.678   11130.020      980.7     2142.8    438.610   2.678   0.000   0.000  0.535789  0.195325  0.124507  1.000000
-    575   1     14  11   7    24     2.678   11130.020      356.1      778.1    159.270   2.678   0.000   0.000  0.535789  0.195325  0.124507  1.000000
-    576   1     14  13   1    24     2.678   11130.020     1185.2     2589.8    530.094   2.678   0.000   0.000  0.535789  0.195325  0.124507  1.000000
-    577   1     19   2   1    24     2.678   11130.020      223.0      487.2     99.730   2.678   0.000   0.000  0.535789  0.195325  0.124507  1.000000
-    578   1      6  18   2    24     2.693   11160.555      295.1     1369.4    521.833   2.693   0.000   0.000  0.537259  0.194765  0.123223  1.000000
-    579   1     18   6   2    24     2.693   11160.555      217.5     1009.6    384.746   2.693   0.000   0.000  0.537259  0.194765  0.123223  1.000000
-    580   1      1  19   0    12     2.708   11191.343       32.9       51.8     21.747   2.708   0.000   0.000  0.538741  0.194204  0.121946  1.000000
-    581   1      8  17   3    24     2.708   11191.343      373.7      589.0    247.253   2.708   0.000   0.000  0.538741  0.194204  0.121946  1.000000
-    582   1      9  16   5    24     2.708   11191.343       52.0       81.9     34.379   2.708   0.000   0.000  0.538741  0.194204  0.121946  1.000000
-    583   1     11  15   4    24     2.708   11191.343       31.8       50.1     21.013   2.708   0.000   0.000  0.538741  0.194204  0.121946  1.000000
-    584   1     12  13   7    24     2.708   11191.343      408.5      643.9    270.290   2.708   0.000   0.000  0.538741  0.194204  0.121946  1.000000
-    585   1     13  12   7    24     2.708   11191.343      309.6      488.0    204.860   2.708   0.000   0.000  0.538741  0.194204  0.121946  1.000000
-    586   1     15  11   4    24     2.708   11191.343       18.9       29.8     12.502   2.708   0.000   0.000  0.538741  0.194204  0.121946  1.000000
-    587   1     16   9   5    24     2.708   11191.343      197.7      311.6    130.797   2.708   0.000   0.000  0.538741  0.194204  0.121946  1.000000
-    588   1     17   8   3    24     2.708   11191.343      261.6      412.3    173.072   2.708   0.000   0.000  0.538741  0.194204  0.121946  1.000000
-    589   1     19   1   0    12     2.708   11191.343      341.7      538.6    226.089   2.708   0.000   0.000  0.538741  0.194204  0.121946  1.000000
-    590   1      6  18   0    12     2.723   11222.387        0.0        0.0      0.000   2.723   0.000   0.000  0.540236  0.193641  0.120676  1.000000
-    591   1     10  14   8    24     2.723   11222.387      469.8      691.3    149.641   2.723   0.000   0.000  0.540236  0.193641  0.120676  1.000000
-    592   1     10  16   2    24     2.723   11222.387     2033.0     2991.1    647.485   2.723   0.000   0.000  0.540236  0.193641  0.120676  1.000000
-    593   1     14  10   8    24     2.723   11222.387     1173.1     1726.0    373.630   2.723   0.000   0.000  0.540236  0.193641  0.120676  1.000000
-    594   1     16  10   2    24     2.723   11222.387      825.6     1214.7    262.957   2.723   0.000   0.000  0.540236  0.193641  0.120676  1.000000
-    595   1     18   6   0    12     2.723   11222.387      134.0      197.2     42.684   2.723   0.000   0.000  0.540236  0.193641  0.120676  1.000000
-    596   1      5  18   3    24     2.738   11253.689      381.8      519.0    182.935   2.738   0.000   0.000  0.541743  0.193076  0.119414  1.000000
-    597   1     14   9   9    24     2.738   11253.689     1136.4     1544.7    544.493   2.738   0.000   0.000  0.541743  0.193076  0.119414  1.000000
-    598   1     18   5   3    24     2.738   11253.689      806.7     1096.5    386.514   2.738   0.000   0.000  0.541743  0.193076  0.119414  1.000000
-    599   1      8  16   6    24     2.753   11285.259     1396.6     1292.8    329.829   2.753   0.000   0.000  0.543262  0.192510  0.118158  1.000000
-    600   1     10  16   0    12     2.753   11285.259        9.0        8.3      2.116   2.753   0.000   0.000  0.543262  0.192510  0.118158  1.000000
+    541   1     16  11   1    24     2.593   10951.928      834.7      843.8    316.685   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
+    542   1     17   8   5    24     2.593   10951.928      502.9      508.4    190.799   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
+    543   1     19   4   1    24     2.593   10951.928      544.2      550.1    206.440   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
+    544   1      6  18   4    24     2.607   10981.017     1098.0     1681.7    477.903   2.607   0.000   0.000  0.528617  0.198099  0.131032  1.000000
+    545   1     12  14   6    24     2.607   10981.017       75.3      115.3     32.771   2.607   0.000   0.000  0.528617  0.198099  0.131032  1.000000
+    546   1     14  12   6    24     2.607   10981.017     1179.4     1806.5    513.355   2.607   0.000   0.000  0.528617  0.198099  0.131032  1.000000
+    547   1     18   6   4    24     2.607   10981.017      237.4      363.6    103.339   2.607   0.000   0.000  0.528617  0.198099  0.131032  1.000000
+    548   1      3  19   2    24     2.621   11010.339      132.5      171.4     26.647   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    549   1      7  17   6    24     2.621   11010.339     2220.1     2871.2    446.463   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    550   1      7  18   1    24     2.621   11010.339      121.0      156.5     24.337   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    551   1      9  17   2    24     2.621   11010.339      171.7      222.0     34.521   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    552   1     10  15   7    24     2.621   11010.339      799.3     1033.7    160.734   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    553   1     13  13   6    24     2.621   11010.339      183.1      236.8     36.828   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    554   1     13  14   3    24     2.621   11010.339     1070.5     1384.4    215.271   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    555   1     14  13   3    24     2.621   11010.339      421.4      544.9     84.736   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    556   1     15  10   7    24     2.621   11010.339      842.3     1089.3    169.379   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    557   1     17   7   6    24     2.621   11010.339      221.5      286.5     44.544   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    558   1     17   9   2    24     2.621   11010.339        5.8        7.5      1.169   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    559   1     18   5   5    24     2.621   11010.339      151.2      195.5     30.401   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    560   1     18   7   1    24     2.621   11010.339      448.4      579.9     90.181   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    561   1     19   3   2    24     2.621   11010.339     1841.7     2381.7    370.357   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    562   1     10  16   4    24     2.635   11039.896      206.0      709.2    216.324   2.635   0.000   0.000  0.531451  0.196993  0.128401  1.000000
+    563   1     16  10   4    24     2.635   11039.896      743.3     2559.1    780.616   2.635   0.000   0.000  0.531451  0.196993  0.128401  1.000000
+    564   1      3  19   0    12     2.649   11069.693      128.3      302.8    133.678   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    565   1      9  15   8    24     2.649   11069.693      300.5      709.2    313.113   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    566   1      9  17   0    12     2.649   11069.693      101.8      240.2    106.027   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    567   1     12  15   1    24     2.649   11069.693      119.2      281.4    124.224   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    568   1     15   9   8    24     2.649   11069.693      747.8     1765.1    779.261   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    569   1     15  12   1    24     2.649   11069.693      190.9      450.6    198.947   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    570   1     17   9   0    12     2.649   11069.693        7.7       18.2      8.054   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    571   1     19   3   0    12     2.649   11069.693        5.0       11.7      5.164   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    572   1      2  19   1    24     2.678   11130.020      360.5      787.8    161.220   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
+    573   1     11  14   7    24     2.678   11130.020      928.1     2027.8    414.992   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
+    574   1     13  14   1    24     2.678   11130.020      981.1     2143.6    438.685   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
+    575   1     14  11   7    24     2.678   11130.020      356.3      778.4    159.303   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
+    576   1     14  13   1    24     2.678   11130.020     1185.8     2591.0    530.243   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
+    577   1     19   2   1    24     2.678   11130.020      223.1      487.4     99.757   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
+    578   1      6  18   2    24     2.693   11160.555      295.2     1370.0    521.982   2.693   0.000   0.000  0.537259  0.194763  0.123223  1.000000
+    579   1     18   6   2    24     2.693   11160.555      217.6     1010.0    384.834   2.693   0.000   0.000  0.537259  0.194763  0.123223  1.000000
+    580   1      1  19   0    12     2.708   11191.343       32.9       51.8     21.758   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
+    581   1      8  17   3    24     2.708   11191.343      374.0      589.5    247.398   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
+    582   1      9  16   5    24     2.708   11191.343       52.0       81.9     34.373   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
+    583   1     11  15   4    24     2.708   11191.343       31.8       50.1     21.038   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
+    584   1     12  13   7    24     2.708   11191.343      408.6      644.0    270.278   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
+    585   1     13  12   7    24     2.708   11191.343      309.8      488.3    204.921   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
+    586   1     15  11   4    24     2.708   11191.343       18.9       29.8     12.508   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
+    587   1     16   9   5    24     2.708   11191.343      197.7      311.7    130.802   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
+    588   1     17   8   3    24     2.708   11191.343      261.7      412.5    173.131   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
+    589   1     19   1   0    12     2.708   11191.343      341.8      538.8    226.122   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
+    590   1      6  18   0    12     2.723   11222.387        0.0        0.0      0.000   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
+    591   1     10  14   8    24     2.723   11222.387      470.2      691.7    149.713   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
+    592   1     10  16   2    24     2.723   11222.387     2034.2     2992.4    647.645   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
+    593   1     14  10   8    24     2.723   11222.387     1173.9     1726.8    373.729   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
+    594   1     16  10   2    24     2.723   11222.387      826.1     1215.1    262.997   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
+    595   1     18   6   0    12     2.723   11222.387      134.1      197.2     42.682   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
+    596   1      5  18   3    24     2.738   11253.689      382.0      519.2    182.982   2.738   0.000   0.000  0.541743  0.193075  0.119414  1.000000
+    597   1     14   9   9    24     2.738   11253.689     1136.9     1545.3    544.600   2.738   0.000   0.000  0.541743  0.193075  0.119414  1.000000
+    598   1     18   5   3    24     2.738   11253.689      807.0     1097.0    386.600   2.738   0.000   0.000  0.541743  0.193075  0.119414  1.000000
+    599   1      8  16   6    24     2.753   11285.257     1397.3     1293.3    329.894   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
+    600   1     10  16   0    12     2.753   11285.257        9.0        8.3      2.114   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    601   1     12  14   4    24     2.753   11285.259     1674.8     1550.4    395.541   2.753   0.000   0.000  0.543262  0.192510  0.118158  1.000000
-    602   1     14  12   4    24     2.753   11285.259       70.2       65.0     16.584   2.753   0.000   0.000  0.543262  0.192510  0.118158  1.000000
-    603   1     16   8   6    24     2.753   11285.259      356.3      329.8     84.142   2.753   0.000   0.000  0.543262  0.192510  0.118158  1.000000
-    604   1     16  10   0    12     2.753   11285.259      549.7      508.9    129.827   2.753   0.000   0.000  0.543262  0.192510  0.118158  1.000000
-    605   1     18   4   4    24     2.753   11285.259     2366.9     2191.0    558.986   2.753   0.000   0.000  0.543262  0.192510  0.118158  1.000000
-    606   1      7  17   4    24     2.769   11317.092      167.7      218.0     65.058   2.769   0.000   0.000  0.544795  0.191943  0.116909  1.000000
-    607   1      8  17   1    24     2.769   11317.092      116.9      151.9     45.353   2.769   0.000   0.000  0.544795  0.191943  0.116909  1.000000
-    608   1     11  13   8    24     2.769   11317.092      361.7      470.0    140.280   2.769   0.000   0.000  0.544795  0.191943  0.116909  1.000000
-    609   1     13  11   8    24     2.769   11317.092      606.1      787.6    235.102   2.769   0.000   0.000  0.544795  0.191943  0.116909  1.000000
-    610   1     13  13   4    24     2.769   11317.092      327.4      425.4    126.981   2.769   0.000   0.000  0.544795  0.191943  0.116909  1.000000
-    611   1     16   7   7    24     2.769   11317.092       91.8      119.3     35.596   2.769   0.000   0.000  0.544795  0.191943  0.116909  1.000000
-    612   1     17   7   4    24     2.769   11317.092       39.5       51.3     15.324   2.769   0.000   0.000  0.544795  0.191943  0.116909  1.000000
-    613   1     17   8   1    24     2.769   11317.092     1699.8     2208.8    659.310   2.769   0.000   0.000  0.544795  0.191943  0.116909  1.000000
-    614   1     12  12   8    24     2.785   11349.197      654.4     3049.5    944.801   2.785   0.000   0.000  0.546340  0.191374  0.115667  1.000000
-    615   1      5  18   1    24     2.801   11381.577      117.7      156.2     39.787   2.801   0.000   0.000  0.547899  0.190803  0.114433  1.000000
-    616   1      6  17   5    24     2.801   11381.577      252.4      335.1     85.341   2.801   0.000   0.000  0.547899  0.190803  0.114433  1.000000
-    617   1     10  13   9    24     2.801   11381.577       63.5       84.2     21.455   2.801   0.000   0.000  0.547899  0.190803  0.114433  1.000000
-    618   1     10  15   5    24     2.801   11381.577      599.0      795.1    202.519   2.801   0.000   0.000  0.547899  0.190803  0.114433  1.000000
-    619   1     11  15   2    24     2.801   11381.577     2288.3     3037.5    773.668   2.801   0.000   0.000  0.547899  0.190803  0.114433  1.000000
-    620   1     13  10   9    24     2.801   11381.577      433.0      574.8    146.393   2.801   0.000   0.000  0.547899  0.190803  0.114433  1.000000
-    621   1     15  10   5    24     2.801   11381.577      556.0      738.0    187.975   2.801   0.000   0.000  0.547899  0.190803  0.114433  1.000000
-    622   1     15  11   2    24     2.801   11381.577      697.0      925.3    235.668   2.801   0.000   0.000  0.547899  0.190803  0.114433  1.000000
-    623   1     17   6   5    24     2.801   11381.577      633.1      840.4    214.061   2.801   0.000   0.000  0.547899  0.190803  0.114433  1.000000
-    624   1     18   5   1    24     2.801   11381.577       19.5       25.8      6.584   2.801   0.000   0.000  0.547899  0.190803  0.114433  1.000000
-    625   1      9  16   3    24     2.833   11447.178      496.5      552.2    311.426   2.833   0.000   0.000  0.551057  0.189656  0.111984  1.000000
-    626   1     11  12   9    24     2.833   11447.178       75.7       84.2     47.502   2.833   0.000   0.000  0.551057  0.189656  0.111984  1.000000
-    627   1     11  15   0    12     2.833   11447.178      243.6      270.9    152.798   2.833   0.000   0.000  0.551057  0.189656  0.111984  1.000000
-    628   1     12  11   9    24     2.833   11447.178      692.4      770.1    434.324   2.833   0.000   0.000  0.551057  0.189656  0.111984  1.000000
-    629   1     15  11   0    12     2.833   11447.178        1.0        1.1      0.646   2.833   0.000   0.000  0.551057  0.189656  0.111984  1.000000
-    630   1     16   9   3    24     2.833   11447.178      696.5      774.7    436.907   2.833   0.000   0.000  0.551057  0.189656  0.111984  1.000000
-    631   1      4  18   2    24     2.849   11480.406     1174.5     1576.0    259.985   2.849   0.000   0.000  0.552657  0.189080  0.110771  1.000000
-    632   1     12  10  10    24     2.849   11480.406      873.5     1172.1    193.355   2.849   0.000   0.000  0.552657  0.189080  0.110771  1.000000
-    633   1     12  14   2    24     2.849   11480.406     1586.0     2128.2    351.073   2.849   0.000   0.000  0.552657  0.189080  0.110771  1.000000
-    634   1     14  12   2    24     2.849   11480.406     3015.4     4046.2    667.469   2.849   0.000   0.000  0.552657  0.189080  0.110771  1.000000
-    635   1     18   4   2    24     2.849   11480.406      250.3      335.8     55.398   2.849   0.000   0.000  0.552657  0.189080  0.110771  1.000000
-    636   1      7  17   2    24     2.866   11513.926      565.4      622.9    148.491   2.866   0.000   0.000  0.554270  0.188503  0.109564  1.000000
-    637   1      9  15   6    24     2.866   11513.926       64.0       70.5     16.818   2.866   0.000   0.000  0.554270  0.188503  0.109564  1.000000
-    638   1     11  11  10    24     2.866   11513.926     1586.9     1748.3    416.761   2.866   0.000   0.000  0.554270  0.188503  0.109564  1.000000
-    639   1     11  14   5    24     2.866   11513.926     1279.9     1410.0    336.129   2.866   0.000   0.000  0.554270  0.188503  0.109564  1.000000
-    640   1     13  13   2    24     2.866   11513.926      819.3      902.6    215.169   2.866   0.000   0.000  0.554270  0.188503  0.109564  1.000000
-    641   1     14  11   5    24     2.866   11513.926       92.7      102.2     24.356   2.866   0.000   0.000  0.554270  0.188503  0.109564  1.000000
-    642   1     15   9   6    24     2.866   11513.926      112.1      123.5     29.451   2.866   0.000   0.000  0.554270  0.188503  0.109564  1.000000
-    643   1     17   7   2    24     2.866   11513.926      302.4      333.1     79.407   2.866   0.000   0.000  0.554270  0.188503  0.109564  1.000000
-    644   1     18   3   3    24     2.866   11513.926      626.9      690.6    164.639   2.866   0.000   0.000  0.554270  0.188503  0.109564  1.000000
-    645   1      4  18   0    12     2.883   11547.740      729.5      660.9    580.881   2.883   0.000   0.000  0.555898  0.187924  0.108365  1.000000
-    646   1     12  14   0    12     2.883   11547.740      292.7      265.2    233.059   2.883   0.000   0.000  0.555898  0.187924  0.108365  1.000000
-    647   1     14  12   0    12     2.883   11547.740       89.9       81.5     71.616   2.883   0.000   0.000  0.555898  0.187924  0.108365  1.000000
-    648   1     18   4   0    12     2.883   11547.740       41.1       37.3     32.757   2.883   0.000   0.000  0.555898  0.187924  0.108365  1.000000
-    649   1      7  17   0    12     2.900   11581.855      934.2     1085.4    303.212   2.900   0.000   0.000  0.557540  0.187343  0.107172  1.000000
-    650   1      8  15   7    24     2.900   11581.855     1226.8     1425.3    398.168   2.900   0.000   0.000  0.557540  0.187343  0.107172  1.000000
-    651   1      9  16   1    24     2.900   11581.855     1008.7     1172.0    327.391   2.900   0.000   0.000  0.557540  0.187343  0.107172  1.000000
-    652   1     12  13   5    24     2.900   11581.855      379.9      441.4    123.321   2.900   0.000   0.000  0.557540  0.187343  0.107172  1.000000
-    653   1     13  12   5    24     2.900   11581.855     1336.2     1552.5    433.685   2.900   0.000   0.000  0.557540  0.187343  0.107172  1.000000
-    654   1     13  13   0    12     2.900   11581.855       31.4       36.5     10.186   2.900   0.000   0.000  0.557540  0.187343  0.107172  1.000000
-    655   1     15   8   7    24     2.900   11581.855       17.7       20.5      5.729   2.900   0.000   0.000  0.557540  0.187343  0.107172  1.000000
-    656   1     16   9   1    24     2.900   11581.855       23.1       26.9      7.508   2.900   0.000   0.000  0.557540  0.187343  0.107172  1.000000
-    657   1     17   7   0    12     2.900   11581.855       80.1       93.0     25.983   2.900   0.000   0.000  0.557540  0.187343  0.107172  1.000000
-    658   1      8  16   4    24     2.917   11616.274      133.9      380.1    388.567   2.917   0.000   0.000  0.559197  0.186760  0.105987  1.000000
-    659   1     16   8   4    24     2.917   11616.274       39.0      110.8    113.251   2.917   0.000   0.000  0.559197  0.186760  0.105987  1.000000
-    660   1      3  18   1    24     2.935   11651.002     1225.6     1894.3    556.348   2.935   0.000   0.000  0.560869  0.186176  0.104808  1.000000
+    601   1     12  14   4    24     2.753   11285.257     1675.9     1551.2    395.670   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
+    602   1     14  12   4    24     2.753   11285.257       70.2       65.0     16.581   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
+    603   1     16   8   6    24     2.753   11285.257      356.4      329.9     84.151   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
+    604   1     16  10   0    12     2.753   11285.257      550.2      509.2    129.889   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
+    605   1     18   4   4    24     2.753   11285.257     2368.3     2192.0    559.142   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
+    606   1      7  17   4    24     2.769   11317.091      167.8      218.0     65.065   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    607   1      8  17   1    24     2.769   11317.091      117.0      152.1     45.379   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    608   1     11  13   8    24     2.769   11317.091      361.8      470.1    140.299   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    609   1     13  11   8    24     2.769   11317.091      606.5      788.1    235.184   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    610   1     13  13   4    24     2.769   11317.091      327.5      425.5    126.987   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    611   1     16   7   7    24     2.769   11317.091       91.8      119.3     35.593   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    612   1     17   7   4    24     2.769   11317.091       39.5       51.3     15.309   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    613   1     17   8   1    24     2.769   11317.091     1700.7     2210.0    659.519   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    614   1     12  12   8    24     2.785   11349.197      654.8     3051.0    945.115   2.785   0.000   0.000  0.546340  0.191372  0.115667  1.000000
+    615   1      5  18   1    24     2.801   11381.577      117.8      156.3     39.800   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    616   1      6  17   5    24     2.801   11381.577      252.7      335.4     85.404   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    617   1     10  13   9    24     2.801   11381.577       63.4       84.2     21.444   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    618   1     10  15   5    24     2.801   11381.577      599.4      795.6    202.587   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    619   1     11  15   2    24     2.801   11381.577     2289.5     3039.1    773.849   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    620   1     13  10   9    24     2.801   11381.577      433.2      575.1    146.429   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    621   1     15  10   5    24     2.801   11381.577      556.3      738.4    188.022   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    622   1     15  11   2    24     2.801   11381.577      697.2      925.5    235.671   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    623   1     17   6   5    24     2.801   11381.577      633.4      840.7    214.081   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    624   1     18   5   1    24     2.801   11381.577       19.5       25.9      6.586   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    625   1      9  16   3    24     2.833   11447.177      496.8      552.7    311.564   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
+    626   1     11  12   9    24     2.833   11447.177       75.7       84.2     47.491   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
+    627   1     11  15   0    12     2.833   11447.177      243.6      271.1    152.809   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
+    628   1     12  11   9    24     2.833   11447.177      692.6      770.6    434.408   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
+    629   1     15  11   0    12     2.833   11447.177        1.0        1.1      0.646   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
+    630   1     16   9   3    24     2.833   11447.177      696.8      775.2    437.022   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
+    631   1      4  18   2    24     2.849   11480.406     1175.0     1576.4    260.004   2.849   0.000   0.000  0.552657  0.189079  0.110771  1.000000
+    632   1     12  10  10    24     2.849   11480.406      874.1     1172.8    193.435   2.849   0.000   0.000  0.552657  0.189079  0.110771  1.000000
+    633   1     12  14   2    24     2.849   11480.406     1586.9     2129.0    351.163   2.849   0.000   0.000  0.552657  0.189079  0.110771  1.000000
+    634   1     14  12   2    24     2.849   11480.406     3017.5     4048.3    667.726   2.849   0.000   0.000  0.552657  0.189079  0.110771  1.000000
+    635   1     18   4   2    24     2.849   11480.406      250.4      336.0     55.413   2.849   0.000   0.000  0.552657  0.189079  0.110771  1.000000
+    636   1      7  17   2    24     2.866   11513.926      565.6      623.1    148.510   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
+    637   1      9  15   6    24     2.866   11513.926       64.1       70.6     16.826   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
+    638   1     11  11  10    24     2.866   11513.926     1587.5     1748.9    416.848   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
+    639   1     11  14   5    24     2.866   11513.926     1280.5     1410.7    336.221   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
+    640   1     13  13   2    24     2.866   11513.926      819.6      902.9    215.198   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
+    641   1     14  11   5    24     2.866   11513.926       92.8      102.2     24.360   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
+    642   1     15   9   6    24     2.866   11513.926      112.2      123.6     29.456   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
+    643   1     17   7   2    24     2.866   11513.926      302.4      333.2     79.414   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
+    644   1     18   3   3    24     2.866   11513.926      627.2      690.9    164.682   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
+    645   1      4  18   0    12     2.883   11547.740      729.8      661.5    580.980   2.883   0.000   0.000  0.555898  0.187922  0.108365  1.000000
+    646   1     12  14   0    12     2.883   11547.740      292.8      265.4    233.140   2.883   0.000   0.000  0.555898  0.187922  0.108365  1.000000
+    647   1     14  12   0    12     2.883   11547.740       90.0       81.6     71.645   2.883   0.000   0.000  0.555898  0.187922  0.108365  1.000000
+    648   1     18   4   0    12     2.883   11547.740       41.2       37.3     32.779   2.883   0.000   0.000  0.555898  0.187922  0.108365  1.000000
+    649   1      7  17   0    12     2.900   11581.854      934.7     1085.9    303.269   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    650   1      8  15   7    24     2.900   11581.854     1227.4     1426.1    398.255   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    651   1      9  16   1    24     2.900   11581.854     1009.4     1172.7    327.507   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    652   1     12  13   5    24     2.900   11581.854      380.1      441.6    123.330   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    653   1     13  12   5    24     2.900   11581.854     1336.8     1553.2    433.756   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    654   1     13  13   0    12     2.900   11581.854       31.4       36.5     10.201   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    655   1     15   8   7    24     2.900   11581.854       17.7       20.6      5.743   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    656   1     16   9   1    24     2.900   11581.854       23.2       26.9      7.516   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    657   1     17   7   0    12     2.900   11581.854       80.2       93.2     26.014   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    658   1      8  16   4    24     2.917   11616.273      134.0      380.4    388.661   2.917   0.000   0.000  0.559197  0.186759  0.105987  1.000000
+    659   1     16   8   4    24     2.917   11616.273       39.1      110.9    113.342   2.917   0.000   0.000  0.559197  0.186759  0.105987  1.000000
+    660   1      3  18   1    24     2.935   11651.002     1226.1     1895.4    556.484   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    661   1      6  17   3    24     2.935   11651.002      246.5      380.9    111.878   2.935   0.000   0.000  0.560869  0.186176  0.104808  1.000000
-    662   1     10  15   3    24     2.935   11651.002     1165.0     1800.7    528.843   2.935   0.000   0.000  0.560869  0.186176  0.104808  1.000000
-    663   1     15  10   3    24     2.935   11651.002      396.5      612.9    180.002   2.935   0.000   0.000  0.560869  0.186176  0.104808  1.000000
-    664   1     17   6   3    24     2.935   11651.002      277.1      428.3    125.778   2.935   0.000   0.000  0.560869  0.186176  0.104808  1.000000
-    665   1     18   3   1    24     2.935   11651.002       33.9       52.4     15.392   2.935   0.000   0.000  0.560869  0.186176  0.104808  1.000000
-    666   1     10  14   6    24     2.952   11686.042       23.6       67.7     22.672   2.952   0.000   0.000  0.562556  0.185590  0.103637  1.000000
-    667   1     14  10   6    24     2.952   11686.042       15.9       45.7     15.305   2.952   0.000   0.000  0.562556  0.185590  0.103637  1.000000
-    668   1     18   2   2    24     2.952   11686.042     1048.0     3006.0   1007.321   2.952   0.000   0.000  0.562556  0.185590  0.103637  1.000000
-    669   1      5  17   4    24     2.970   11721.400     2535.1     4068.5    925.983   2.970   0.000   0.000  0.564258  0.185002  0.102473  1.000000
-    670   1      7  16   5    24     2.970   11721.400      124.2      199.2     45.349   2.970   0.000   0.000  0.564258  0.185002  0.102473  1.000000
-    671   1     16   7   5    24     2.970   11721.400      562.9      903.4    205.620   2.970   0.000   0.000  0.564258  0.185002  0.102473  1.000000
-    672   1     17   5   4    24     2.970   11721.400     1091.1     1751.1    398.541   2.970   0.000   0.000  0.564258  0.185002  0.102473  1.000000
-    673   1      2  18   0    12     2.988   11757.082      172.5      767.6    164.106   2.988   0.000   0.000  0.565976  0.184413  0.101315  1.000000
-    674   1     16   6   6    24     2.988   11757.082      821.1     3653.8    781.160   2.988   0.000   0.000  0.565976  0.184413  0.101315  1.000000
-    675   1     18   2   0    12     2.988   11757.082       41.5      184.7     39.489   2.988   0.000   0.000  0.565976  0.184413  0.101315  1.000000
-    676   1      6  17   1    24     3.007   11793.092       28.7       39.3      4.450   3.007   0.000   0.000  0.567709  0.183821  0.100165  1.000000
-    677   1      9  14   7    24     3.007   11793.092     2008.9     2754.6    311.769   3.007   0.000   0.000  0.567709  0.183821  0.100165  1.000000
-    678   1     10  15   1    24     3.007   11793.092      424.4      582.0     65.869   3.007   0.000   0.000  0.567709  0.183821  0.100165  1.000000
-    679   1     11  13   6    24     3.007   11793.092     1924.3     2638.7    298.649   3.007   0.000   0.000  0.567709  0.183821  0.100165  1.000000
-    680   1     11  14   3    24     3.007   11793.092      294.6      404.0     45.721   3.007   0.000   0.000  0.567709  0.183821  0.100165  1.000000
-    681   1     13  11   6    24     3.007   11793.092      783.1     1073.7    121.527   3.007   0.000   0.000  0.567709  0.183821  0.100165  1.000000
-    682   1     14   9   7    24     3.007   11793.092       91.9      126.0     14.256   3.007   0.000   0.000  0.567709  0.183821  0.100165  1.000000
-    683   1     14  11   3    24     3.007   11793.092       59.6       81.8      9.253   3.007   0.000   0.000  0.567709  0.183821  0.100165  1.000000
-    684   1     15  10   1    24     3.007   11793.092      104.7      143.6     16.249   3.007   0.000   0.000  0.567709  0.183821  0.100165  1.000000
-    685   1     17   6   1    24     3.007   11793.092     4114.5     5641.8    638.551   3.007   0.000   0.000  0.567709  0.183821  0.100165  1.000000
-    686   1     18   1   1    24     3.007   11793.092      819.6     1123.8    127.191   3.007   0.000   0.000  0.567709  0.183821  0.100165  1.000000
-    687   1      8  16   2    24     3.025   11829.434      213.0      276.3     35.118   3.025   0.000   0.000  0.569459  0.183228  0.099022  1.000000
-    688   1     12  12   6    24     3.025   11829.434      721.0      935.3    118.881   3.025   0.000   0.000  0.569459  0.183228  0.099022  1.000000
-    689   1     14   8   8    24     3.025   11829.434     4934.6     6401.3    813.595   3.025   0.000   0.000  0.569459  0.183228  0.099022  1.000000
-    690   1     16   8   2    24     3.025   11829.434      717.5      930.7    118.291   3.025   0.000   0.000  0.569459  0.183228  0.099022  1.000000
-    691   1     18   0   0     6     3.025   11829.434     2901.9     3764.4    478.451   3.025   0.000   0.000  0.569459  0.183228  0.099022  1.000000
-    692   1      9  15   4    24     3.044   11866.114     1832.8     2638.6    785.615   3.044   0.000   0.000  0.571224  0.182633  0.097886  1.000000
-    693   1     12  13   3    24     3.044   11866.114      130.9      188.4     56.103   3.044   0.000   0.000  0.571224  0.182633  0.097886  1.000000
-    694   1     13  12   3    24     3.044   11866.114      733.8     1056.4    314.535   3.044   0.000   0.000  0.571224  0.182633  0.097886  1.000000
-    695   1     15   9   4    24     3.044   11866.114       51.0       73.4     21.858   3.044   0.000   0.000  0.571224  0.182633  0.097886  1.000000
-    696   1      8  16   0    12     3.063   11903.139      773.4     1652.8    392.914   3.063   0.000   0.000  0.573007  0.182036  0.096757  1.000000
-    697   1     16   8   0    12     3.063   11903.139     1758.6     3758.3    893.443   3.063   0.000   0.000  0.573007  0.182036  0.096757  1.000000
-    698   1      5  17   2    24     3.082   11940.512      846.8      813.5    325.385   3.082   0.000   0.000  0.574806  0.181437  0.095634  1.000000
-    699   1     10  13   7    24     3.082   11940.512      250.4      240.6     96.224   3.082   0.000   0.000  0.574806  0.181437  0.095634  1.000000
-    700   1     11  14   1    24     3.082   11940.512      346.9      333.3    133.301   3.082   0.000   0.000  0.574806  0.181437  0.095634  1.000000
-    701   1     13  10   7    24     3.082   11940.512     1907.8     1832.8    733.095   3.082   0.000   0.000  0.574806  0.181437  0.095634  1.000000
-    702   1     14  11   1    24     3.082   11940.512      824.8      792.3    316.930   3.082   0.000   0.000  0.574806  0.181437  0.095634  1.000000
-    703   1     17   5   2    24     3.082   11940.512        8.6        8.2      3.294   3.082   0.000   0.000  0.574806  0.181437  0.095634  1.000000
-    704   1      4  17   3    24     3.122   12016.325       39.6       59.3      6.369   3.122   0.000   0.000  0.578455  0.180234  0.093411  1.000000
-    705   1      5  17   0    12     3.122   12016.325        0.5        0.7      0.078   3.122   0.000   0.000  0.578455  0.180234  0.093411  1.000000
-    706   1      7  16   3    24     3.122   12016.325     1948.2     2916.7    313.422   3.122   0.000   0.000  0.578455  0.180234  0.093411  1.000000
-    707   1      8  15   5    24     3.122   12016.325      524.6      785.4     84.395   3.122   0.000   0.000  0.578455  0.180234  0.093411  1.000000
-    708   1      9  13   8    24     3.122   12016.325     1934.5     2896.1    311.215   3.122   0.000   0.000  0.578455  0.180234  0.093411  1.000000
-    709   1     11  12   7    24     3.122   12016.325     1605.8     2404.0    258.328   3.122   0.000   0.000  0.578455  0.180234  0.093411  1.000000
-    710   1     12  11   7    24     3.122   12016.325      187.3      280.4     30.129   3.122   0.000   0.000  0.578455  0.180234  0.093411  1.000000
-    711   1     12  13   1    24     3.122   12016.325      275.2      412.1     44.279   3.122   0.000   0.000  0.578455  0.180234  0.093411  1.000000
-    712   1     13   9   8    24     3.122   12016.325      299.5      448.4     48.183   3.122   0.000   0.000  0.578455  0.180234  0.093411  1.000000
-    713   1     13  12   1    24     3.122   12016.325      137.2      205.4     22.071   3.122   0.000   0.000  0.578455  0.180234  0.093411  1.000000
-    714   1     15   8   5    24     3.122   12016.325     1145.4     1714.8    184.272   3.122   0.000   0.000  0.578455  0.180234  0.093411  1.000000
-    715   1     16   7   3    24     3.122   12016.325     1420.7     2126.9    228.556   3.122   0.000   0.000  0.578455  0.180234  0.093411  1.000000
-    716   1     17   4   3    24     3.122   12016.325     2430.2     3638.3    390.969   3.122   0.000   0.000  0.578455  0.180234  0.093411  1.000000
-    717   1     17   5   0    12     3.122   12016.325      140.3      210.0     22.567   3.122   0.000   0.000  0.578455  0.180234  0.093411  1.000000
-    718   1     10  14   4    24     3.142   12054.776      200.5      744.2    169.895   3.142   0.000   0.000  0.580306  0.179629  0.092310  1.000000
-    719   1     14  10   4    24     3.142   12054.776      600.5     2228.8    508.826   3.142   0.000   0.000  0.580306  0.179629  0.092310  1.000000
-    720   1      7  15   6    24     3.162   12093.601     2215.1     2608.8    312.663   3.162   0.000   0.000  0.582175  0.179023  0.091216  1.000000
+    661   1      6  17   3    24     2.935   11651.002      246.5      381.0    111.866   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
+    662   1     10  15   3    24     2.935   11651.002     1165.5     1801.7    528.977   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
+    663   1     15  10   3    24     2.935   11651.002      396.9      613.5    180.127   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
+    664   1     17   6   3    24     2.935   11651.002      277.1      428.3    125.757   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
+    665   1     18   3   1    24     2.935   11651.002       33.9       52.5     15.405   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
+    666   1     10  14   6    24     2.952   11686.042       23.6       67.7     22.684   2.952   0.000   0.000  0.562556  0.185588  0.103637  1.000000
+    667   1     14  10   6    24     2.952   11686.042       15.9       45.7     15.315   2.952   0.000   0.000  0.562556  0.185588  0.103637  1.000000
+    668   1     18   2   2    24     2.952   11686.042     1048.7     3007.7   1007.584   2.952   0.000   0.000  0.562556  0.185588  0.103637  1.000000
+    669   1      5  17   4    24     2.970   11721.399     2536.4     4070.5    926.244   2.970   0.000   0.000  0.564258  0.185000  0.102473  1.000000
+    670   1      7  16   5    24     2.970   11721.399      124.2      199.4     45.373   2.970   0.000   0.000  0.564258  0.185000  0.102473  1.000000
+    671   1     16   7   5    24     2.970   11721.399      563.2      903.8    205.670   2.970   0.000   0.000  0.564258  0.185000  0.102473  1.000000
+    672   1     17   5   4    24     2.970   11721.399     1091.5     1751.6    398.589   2.970   0.000   0.000  0.564258  0.185000  0.102473  1.000000
+    673   1      2  18   0    12     2.988   11757.082      172.6      768.1    164.185   2.988   0.000   0.000  0.565976  0.184411  0.101315  1.000000
+    674   1     16   6   6    24     2.988   11757.082      821.5     3655.4    781.381   2.988   0.000   0.000  0.565976  0.184411  0.101315  1.000000
+    675   1     18   2   0    12     2.988   11757.082       41.5      184.7     39.483   2.988   0.000   0.000  0.565976  0.184411  0.101315  1.000000
+    676   1      6  17   1    24     3.007   11793.092       28.7       39.3      4.452   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    677   1      9  14   7    24     3.007   11793.092     2010.0     2755.8    311.865   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    678   1     10  15   1    24     3.007   11793.092      424.6      582.1     65.874   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    679   1     11  13   6    24     3.007   11793.092     1925.3     2639.6    298.723   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    680   1     11  14   3    24     3.007   11793.092      294.8      404.1     45.735   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    681   1     13  11   6    24     3.007   11793.092      783.4     1074.1    121.550   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    682   1     14   9   7    24     3.007   11793.092       91.8      125.9     14.247   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    683   1     14  11   3    24     3.007   11793.092       59.7       81.8      9.255   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    684   1     15  10   1    24     3.007   11793.092      104.8      143.7     16.260   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    685   1     17   6   1    24     3.007   11793.092     4116.4     5643.8    638.703   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    686   1     18   1   1    24     3.007   11793.092      819.8     1124.0    127.205   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    687   1      8  16   2    24     3.025   11829.433      213.1      276.4     35.130   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
+    688   1     12  12   6    24     3.025   11829.433      721.6      935.9    118.933   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
+    689   1     14   8   8    24     3.025   11829.433     4937.4     6403.8    813.820   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
+    690   1     16   8   2    24     3.025   11829.433      717.6      930.7    118.283   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
+    691   1     18   0   0     6     3.025   11829.433     2903.6     3766.0    478.591   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
+    692   1      9  15   4    24     3.044   11866.114     1833.4     2640.1    785.828   3.044   0.000   0.000  0.571224  0.182631  0.097886  1.000000
+    693   1     12  13   3    24     3.044   11866.114      131.0      188.6     56.134   3.044   0.000   0.000  0.571224  0.182631  0.097886  1.000000
+    694   1     13  12   3    24     3.044   11866.114      733.8     1056.8    314.546   3.044   0.000   0.000  0.571224  0.182631  0.097886  1.000000
+    695   1     15   9   4    24     3.044   11866.114       51.0       73.5     21.869   3.044   0.000   0.000  0.571224  0.182631  0.097886  1.000000
+    696   1      8  16   0    12     3.063   11903.140      773.9     1653.8    393.074   3.063   0.000   0.000  0.573007  0.182034  0.096756  1.000000
+    697   1     16   8   0    12     3.063   11903.140     1759.5     3760.1    893.680   3.063   0.000   0.000  0.573007  0.182034  0.096756  1.000000
+    698   1      5  17   2    24     3.082   11940.512      847.3      814.2    325.506   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
+    699   1     10  13   7    24     3.082   11940.512      250.5      240.7     96.213   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
+    700   1     11  14   1    24     3.082   11940.512      347.1      333.5    133.352   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
+    701   1     13  10   7    24     3.082   11940.512     1908.9     1834.2    733.301   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
+    702   1     14  11   1    24     3.082   11940.512      825.1      792.9    316.980   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
+    703   1     17   5   2    24     3.082   11940.512        8.6        8.2      3.289   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
+    704   1      4  17   3    24     3.122   12016.323       39.6       59.3      6.370   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    705   1      5  17   0    12     3.122   12016.323        0.5        0.7      0.077   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    706   1      7  16   3    24     3.122   12016.323     1949.1     2917.9    313.508   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    707   1      8  15   5    24     3.122   12016.323      524.8      785.7     84.420   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    708   1      9  13   8    24     3.122   12016.323     1935.2     2897.0    311.268   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    709   1     11  12   7    24     3.122   12016.323     1606.6     2405.1    258.416   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    710   1     12  11   7    24     3.122   12016.323      187.3      280.4     30.122   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    711   1     12  13   1    24     3.122   12016.323      275.4      412.3     44.301   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    712   1     13   9   8    24     3.122   12016.323      299.6      448.5     48.183   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    713   1     13  12   1    24     3.122   12016.323      137.3      205.5     22.084   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    714   1     15   8   5    24     3.122   12016.323     1145.9     1715.4    184.312   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    715   1     16   7   3    24     3.122   12016.323     1421.4     2127.8    228.618   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    716   1     17   4   3    24     3.122   12016.323     2431.4     3639.8    391.076   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    717   1     17   5   0    12     3.122   12016.323      140.3      210.0     22.562   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    718   1     10  14   4    24     3.142   12054.776      200.6      744.4    169.924   3.142   0.000   0.000  0.580306  0.179628  0.092310  1.000000
+    719   1     14  10   4    24     3.142   12054.776      600.8     2229.9    508.984   3.142   0.000   0.000  0.580306  0.179628  0.092310  1.000000
+    720   1      7  15   6    24     3.162   12093.601     2216.1     2609.9    312.755   3.162   0.000   0.000  0.582175  0.179021  0.091216  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    721   1      9  15   2    24     3.162   12093.601      218.8      257.7     30.882   3.162   0.000   0.000  0.582175  0.179023  0.091216  1.000000
-    722   1     15   7   6    24     3.162   12093.601     2882.3     3394.7    406.851   3.162   0.000   0.000  0.582175  0.179023  0.091216  1.000000
-    723   1     15   9   2    24     3.162   12093.601     5864.0     6906.4    827.726   3.162   0.000   0.000  0.582175  0.179023  0.091216  1.000000
-    724   1      6  16   4    24     3.183   12132.803      886.7     1183.5    115.583   3.183   0.000   0.000  0.584063  0.178415  0.090129  1.000000
-    725   1     10  12   8    24     3.183   12132.803     1807.1     2412.0    235.551   3.183   0.000   0.000  0.584063  0.178415  0.090129  1.000000
-    726   1     12  10   8    24     3.183   12132.803     6411.4     8557.4    835.709   3.183   0.000   0.000  0.584063  0.178415  0.090129  1.000000
-    727   1     16   6   4    24     3.183   12132.803     2698.5     3601.8    351.744   3.183   0.000   0.000  0.584063  0.178415  0.090129  1.000000
-    728   1      4  17   1    24     3.203   12172.387       60.7       89.3     15.237   3.203   0.000   0.000  0.585968  0.177804  0.089049  1.000000
-    729   1      7  16   1    24     3.203   12172.387      121.2      178.1     30.400   3.203   0.000   0.000  0.585968  0.177804  0.089049  1.000000
-    730   1      9  15   0    12     3.203   12172.387      370.9      545.3     93.073   3.203   0.000   0.000  0.585968  0.177804  0.089049  1.000000
-    731   1     11  11   8    24     3.203   12172.387      293.9      432.0     73.739   3.203   0.000   0.000  0.585968  0.177804  0.089049  1.000000
-    732   1     11  13   4    24     3.203   12172.387     1139.9     1675.6    286.022   3.203   0.000   0.000  0.585968  0.177804  0.089049  1.000000
-    733   1     12   9   9    24     3.203   12172.387     1237.6     1819.3    310.544   3.203   0.000   0.000  0.585968  0.177804  0.089049  1.000000
-    734   1     13  11   4    24     3.203   12172.387       82.8      121.7     20.781   3.203   0.000   0.000  0.585968  0.177804  0.089049  1.000000
-    735   1     15   9   0    12     3.203   12172.387      255.1      375.0     64.010   3.203   0.000   0.000  0.585968  0.177804  0.089049  1.000000
-    736   1     16   5   5    24     3.203   12172.387      580.6      853.5    145.695   3.203   0.000   0.000  0.585968  0.177804  0.089049  1.000000
-    737   1     16   7   1    24     3.203   12172.387     1279.3     1880.6    321.018   3.203   0.000   0.000  0.585968  0.177804  0.089049  1.000000
-    738   1     17   4   1    24     3.203   12172.387      962.2     1414.4    241.440   3.203   0.000   0.000  0.585968  0.177804  0.089049  1.000000
-    739   1     12  12   4    24     3.224   12212.362       48.4      266.6    163.631   3.224   0.000   0.000  0.587892  0.177192  0.087976  1.000000
-    740   1      3  17   2    24     3.246   12252.733      105.2      154.3     42.052   3.246   0.000   0.000  0.589836  0.176577  0.086911  1.000000
-    741   1      9  14   5    24     3.246   12252.733      604.0      886.0    241.432   3.246   0.000   0.000  0.589836  0.176577  0.086911  1.000000
-    742   1     10  11   9    24     3.246   12252.733      986.5     1447.1    394.320   3.246   0.000   0.000  0.589836  0.176577  0.086911  1.000000
-    743   1     11  10   9    24     3.246   12252.733     1168.4     1714.0    467.057   3.246   0.000   0.000  0.589836  0.176577  0.086911  1.000000
-    744   1     14   9   5    24     3.246   12252.733     1035.1     1518.4    413.750   3.246   0.000   0.000  0.589836  0.176577  0.086911  1.000000
-    745   1     17   3   2    24     3.246   12252.733       65.1       95.5     26.022   3.246   0.000   0.000  0.589836  0.176577  0.086911  1.000000
-    746   1     10  10  10     8     3.267   12293.509      140.0      268.8    194.068   3.267   0.000   0.000  0.591799  0.175961  0.085852  1.000000
-    747   1     10  14   2    24     3.267   12293.509      100.8      193.5    139.700   3.267   0.000   0.000  0.591799  0.175961  0.085852  1.000000
-    748   1     14  10   2    24     3.267   12293.509      433.8      832.8    601.274   3.267   0.000   0.000  0.591799  0.175961  0.085852  1.000000
-    749   1      3  17   0    12     3.289   12334.693       45.0       90.2     32.749   3.289   0.000   0.000  0.593781  0.175342  0.084800  1.000000
-    750   1      8  15   3    24     3.289   12334.693      826.1     1655.0    601.063   3.289   0.000   0.000  0.593781  0.175342  0.084800  1.000000
-    751   1     15   8   3    24     3.289   12334.693      628.5     1259.2    457.310   3.289   0.000   0.000  0.593781  0.175342  0.084800  1.000000
-    752   1     17   3   0    12     3.289   12334.693      130.0      260.4     94.589   3.289   0.000   0.000  0.593781  0.175342  0.084800  1.000000
-    753   1      6  16   2    24     3.312   12376.293     3498.4     3263.1    573.616   3.312   0.000   0.000  0.595784  0.174722  0.083755  1.000000
-    754   1      8  14   6    24     3.312   12376.293      445.1      415.2     72.988   3.312   0.000   0.000  0.595784  0.174722  0.083755  1.000000
-    755   1     10  14   0    12     3.312   12376.293      878.1      819.1    143.980   3.312   0.000   0.000  0.595784  0.174722  0.083755  1.000000
-    756   1     14   8   6    24     3.312   12376.293     1900.2     1772.4    311.569   3.312   0.000   0.000  0.595784  0.174722  0.083755  1.000000
-    757   1     14  10   0    12     3.312   12376.293     1856.2     1731.3    304.343   3.312   0.000   0.000  0.595784  0.174722  0.083755  1.000000
-    758   1     16   6   2    24     3.312   12376.293      131.0      122.2     21.474   3.312   0.000   0.000  0.595784  0.174722  0.083755  1.000000
-    759   1      2  17   1    24     3.334   12418.318     1650.6     1988.2    320.259   3.334   0.000   0.000  0.597807  0.174099  0.082718  1.000000
-    760   1     10  13   5    24     3.334   12418.318     2200.0     2649.9    426.848   3.334   0.000   0.000  0.597807  0.174099  0.082718  1.000000
-    761   1     11  13   2    24     3.334   12418.318      136.3      164.1     26.439   3.334   0.000   0.000  0.597807  0.174099  0.082718  1.000000
-    762   1     13  10   5    24     3.334   12418.318     2071.3     2494.9    401.880   3.334   0.000   0.000  0.597807  0.174099  0.082718  1.000000
-    763   1     13  11   2    24     3.334   12418.318      623.6      751.1    120.990   3.334   0.000   0.000  0.597807  0.174099  0.082718  1.000000
-    764   1     14   7   7    24     3.334   12418.318      475.8      573.1     92.314   3.334   0.000   0.000  0.597807  0.174099  0.082718  1.000000
-    765   1     17   2   1    24     3.334   12418.318      220.6      265.7     42.795   3.334   0.000   0.000  0.597807  0.174099  0.082718  1.000000
-    766   1      6  16   0    12     3.357   12460.775      930.6     2480.0    755.979   3.357   0.000   0.000  0.599851  0.173474  0.081687  1.000000
-    767   1     12  12   2    24     3.357   12460.775       70.3      187.4     57.138   3.357   0.000   0.000  0.599851  0.173474  0.081687  1.000000
-    768   1     16   6   0    12     3.357   12460.775       20.4       54.5     16.605   3.357   0.000   0.000  0.599851  0.173474  0.081687  1.000000
-    769   1      1  17   0    12     3.380   12503.669     1379.1     1505.0    171.610   3.380   0.000   0.000  0.601916  0.172848  0.080663  1.000000
-    770   1      5  16   3    24     3.380   12503.669     1971.3     2151.2    245.301   3.380   0.000   0.000  0.601916  0.172848  0.080663  1.000000
-    771   1      7  15   4    24     3.380   12503.669      719.9      785.6     89.581   3.380   0.000   0.000  0.601916  0.172848  0.080663  1.000000
-    772   1      8  15   1    24     3.380   12503.669     1011.2     1103.5    125.831   3.380   0.000   0.000  0.601916  0.172848  0.080663  1.000000
-    773   1     11  12   5    24     3.380   12503.669      575.8      628.4     71.653   3.380   0.000   0.000  0.601916  0.172848  0.080663  1.000000
-    774   1     11  13   0    12     3.380   12503.669       20.4       22.3      2.544   3.380   0.000   0.000  0.601916  0.172848  0.080663  1.000000
-    775   1     12  11   5    24     3.380   12503.669     4785.8     5222.7    595.534   3.380   0.000   0.000  0.601916  0.172848  0.080663  1.000000
-    776   1     13  11   0    12     3.380   12503.669      101.5      110.8     12.632   3.380   0.000   0.000  0.601916  0.172848  0.080663  1.000000
-    777   1     15   7   4    24     3.380   12503.669     1055.9     1152.3    131.399   3.380   0.000   0.000  0.601916  0.172848  0.080663  1.000000
-    778   1     15   8   1    24     3.380   12503.669      125.9      137.4     15.666   3.380   0.000   0.000  0.601916  0.172848  0.080663  1.000000
-    779   1     16   5   3    24     3.380   12503.669     1104.3     1205.1    137.414   3.380   0.000   0.000  0.601916  0.172848  0.080663  1.000000
-    780   1     17   1   0    12     3.380   12503.669       26.3       28.7      3.267   3.380   0.000   0.000  0.601916  0.172848  0.080663  1.000000
+    721   1      9  15   2    24     3.162   12093.601      218.9      257.9     30.899   3.162   0.000   0.000  0.582175  0.179021  0.091216  1.000000
+    722   1     15   7   6    24     3.162   12093.601     2883.3     3395.8    406.927   3.162   0.000   0.000  0.582175  0.179021  0.091216  1.000000
+    723   1     15   9   2    24     3.162   12093.601     5866.5     6909.2    827.946   3.162   0.000   0.000  0.582175  0.179021  0.091216  1.000000
+    724   1      6  16   4    24     3.183   12132.803      887.2     1184.0    115.612   3.183   0.000   0.000  0.584063  0.178413  0.090129  1.000000
+    725   1     10  12   8    24     3.183   12132.803     1808.2     2413.1    235.633   3.183   0.000   0.000  0.584063  0.178413  0.090129  1.000000
+    726   1     12  10   8    24     3.183   12132.803     6414.6     8560.2    835.894   3.183   0.000   0.000  0.584063  0.178413  0.090129  1.000000
+    727   1     16   6   4    24     3.183   12132.803     2700.2     3603.4    351.866   3.183   0.000   0.000  0.584063  0.178413  0.090129  1.000000
+    728   1      4  17   1    24     3.203   12172.387       60.8       89.3     15.246   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    729   1      7  16   1    24     3.203   12172.387      121.2      178.1     30.400   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    730   1      9  15   0    12     3.203   12172.387      371.2      545.7     93.125   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    731   1     11  11   8    24     3.203   12172.387      294.0      432.2     73.751   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    732   1     11  13   4    24     3.203   12172.387     1140.4     1676.5    286.101   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    733   1     12   9   9    24     3.203   12172.387     1238.1     1820.1    310.606   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    734   1     13  11   4    24     3.203   12172.387       82.9      121.8     20.791   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    735   1     15   9   0    12     3.203   12172.387      255.2      375.1     64.020   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    736   1     16   5   5    24     3.203   12172.387      580.8      853.8    145.713   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    737   1     16   7   1    24     3.203   12172.387     1280.1     1881.9    321.158   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    738   1     17   4   1    24     3.203   12172.387      962.4     1414.9    241.457   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    739   1     12  12   4    24     3.224   12212.362       48.4      266.8    163.684   3.224   0.000   0.000  0.587892  0.177190  0.087976  1.000000
+    740   1      3  17   2    24     3.246   12252.733      105.3      154.5     42.082   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
+    741   1      9  14   5    24     3.246   12252.733      604.0      886.4    241.434   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
+    742   1     10  11   9    24     3.246   12252.733      986.9     1448.2    394.472   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
+    743   1     11  10   9    24     3.246   12252.733     1168.9     1715.3    467.221   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
+    744   1     14   9   5    24     3.246   12252.733     1035.4     1519.3    413.836   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
+    745   1     17   3   2    24     3.246   12252.733       65.1       95.5     26.019   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
+    746   1     10  10  10     8     3.267   12293.508      140.1      269.2    194.232   3.267   0.000   0.000  0.591799  0.175959  0.085852  1.000000
+    747   1     10  14   2    24     3.267   12293.508      100.8      193.6    139.694   3.267   0.000   0.000  0.591799  0.175959  0.085852  1.000000
+    748   1     14  10   2    24     3.267   12293.508      433.8      833.5    601.287   3.267   0.000   0.000  0.591799  0.175959  0.085852  1.000000
+    749   1      3  17   0    12     3.289   12334.693       45.0       90.3     32.771   3.289   0.000   0.000  0.593781  0.175341  0.084800  1.000000
+    750   1      8  15   3    24     3.289   12334.693      826.4     1656.5    601.300   3.289   0.000   0.000  0.593781  0.175341  0.084800  1.000000
+    751   1     15   8   3    24     3.289   12334.693      628.5     1259.8    457.323   3.289   0.000   0.000  0.593781  0.175341  0.084800  1.000000
+    752   1     17   3   0    12     3.289   12334.693      130.1      260.7     94.629   3.289   0.000   0.000  0.593781  0.175341  0.084800  1.000000
+    753   1      6  16   2    24     3.312   12376.295     3499.6     3264.7    573.718   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
+    754   1      8  14   6    24     3.312   12376.295      445.3      415.4     73.003   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
+    755   1     10  14   0    12     3.312   12376.295      878.6      819.6    144.034   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
+    756   1     14   8   6    24     3.312   12376.295     1901.1     1773.5    311.655   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
+    757   1     14  10   0    12     3.312   12376.295     1856.9     1732.2    304.411   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
+    758   1     16   6   2    24     3.312   12376.295      131.1      122.3     21.490   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
+    759   1      2  17   1    24     3.334   12418.319     1651.5     1989.2    320.359   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
+    760   1     10  13   5    24     3.334   12418.319     2201.2     2651.4    426.995   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
+    761   1     11  13   2    24     3.334   12418.319      136.4      164.3     26.452   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
+    762   1     13  10   5    24     3.334   12418.319     2072.2     2496.0    401.963   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
+    763   1     13  11   2    24     3.334   12418.319      623.8      751.3    121.001   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
+    764   1     14   7   7    24     3.334   12418.319      476.0      573.3     92.333   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
+    765   1     17   2   1    24     3.334   12418.319      220.6      265.8     42.799   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
+    766   1      6  16   0    12     3.357   12460.774      931.1     2481.4    756.131   3.357   0.000   0.000  0.599851  0.173473  0.081687  1.000000
+    767   1     12  12   2    24     3.357   12460.774       70.4      187.7     57.191   3.357   0.000   0.000  0.599851  0.173473  0.081687  1.000000
+    768   1     16   6   0    12     3.357   12460.774       20.4       54.5     16.605   3.357   0.000   0.000  0.599851  0.173473  0.081687  1.000000
+    769   1      1  17   0    12     3.380   12503.668     1379.6     1505.5    171.642   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    770   1      5  16   3    24     3.380   12503.668     1972.1     2152.2    245.362   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    771   1      7  15   4    24     3.380   12503.668      720.1      785.9     89.599   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    772   1      8  15   1    24     3.380   12503.668     1011.5     1103.9    125.855   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    773   1     11  12   5    24     3.380   12503.668      575.9      628.5     71.655   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    774   1     11  13   0    12     3.380   12503.668       20.5       22.3      2.545   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    775   1     12  11   5    24     3.380   12503.668     4788.1     5225.3    595.719   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    776   1     13  11   0    12     3.380   12503.668      101.5      110.8     12.633   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    777   1     15   7   4    24     3.380   12503.668     1056.3     1152.8    131.427   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    778   1     15   8   1    24     3.380   12503.668      125.9      137.4     15.669   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    779   1     16   5   3    24     3.380   12503.668     1104.9     1205.8    137.466   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    780   1     17   1   0    12     3.380   12503.668       26.3       28.7      3.267   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    781   1     12  12   0    12     3.404   12547.009     3715.8     4148.5    632.697   3.404   0.000   0.000  0.604002  0.172218  0.079647  1.000000
-    782   1     16   4   4    24     3.404   12547.009     3488.0     3894.1    593.901   3.404   0.000   0.000  0.604002  0.172218  0.079647  1.000000
-    783   1      6  15   5    24     3.427   12590.805     1206.6     1438.3    192.507   3.427   0.000   0.000  0.606110  0.171587  0.078637  1.000000
-    784   1      9  13   6    24     3.427   12590.805      430.4      513.1     68.674   3.427   0.000   0.000  0.606110  0.171587  0.078637  1.000000
-    785   1      9  14   3    24     3.427   12590.805     7025.5     8374.5   1120.906   3.427   0.000   0.000  0.606110  0.171587  0.078637  1.000000
-    786   1     13   9   6    24     3.427   12590.805     1097.2     1307.9    175.053   3.427   0.000   0.000  0.606110  0.171587  0.078637  1.000000
-    787   1     14   9   3    24     3.427   12590.805     1937.9     2310.1    309.196   3.427   0.000   0.000  0.606110  0.171587  0.078637  1.000000
-    788   1     15   6   5    24     3.427   12590.805      181.8      216.7     29.011   3.427   0.000   0.000  0.606110  0.171587  0.078637  1.000000
-    789   1      5  16   1    24     3.476   12679.786      265.4      390.2    109.950   3.476   0.000   0.000  0.610394  0.170318  0.076639  1.000000
-    790   1      8  13   7    24     3.476   12679.786     1274.3     1873.1    527.844   3.476   0.000   0.000  0.610394  0.170318  0.076639  1.000000
-    791   1     13   8   7    24     3.476   12679.786      658.6      968.0    272.783   3.476   0.000   0.000  0.610394  0.170318  0.076639  1.000000
-    792   1     16   5   1    24     3.476   12679.786     1322.9     1944.4    547.948   3.476   0.000   0.000  0.610394  0.170318  0.076639  1.000000
-    793   1     10  12   6    24     3.501   12724.990      548.5      622.3    324.489   3.501   0.000   0.000  0.612570  0.169680  0.075651  1.000000
-    794   1     12  10   6    24     3.501   12724.990     1056.2     1198.2    624.829   3.501   0.000   0.000  0.612570  0.169680  0.075651  1.000000
-    795   1      7  15   2    24     3.526   12770.682     3462.0     2593.5    368.726   3.526   0.000   0.000  0.614769  0.169040  0.074669  1.000000
-    796   1      9  14   1    24     3.526   12770.682     1925.2     1442.2    205.041   3.526   0.000   0.000  0.614769  0.169040  0.074669  1.000000
-    797   1     10  13   3    24     3.526   12770.682     2415.7     1809.7    257.286   3.526   0.000   0.000  0.614769  0.169040  0.074669  1.000000
-    798   1     11  11   6    24     3.526   12770.682     2090.6     1566.1    222.659   3.526   0.000   0.000  0.614769  0.169040  0.074669  1.000000
-    799   1     13  10   3    24     3.526   12770.682      843.5      631.9     89.833   3.526   0.000   0.000  0.614769  0.169040  0.074669  1.000000
-    800   1     14   9   1    24     3.526   12770.682      296.6      222.2     31.585   3.526   0.000   0.000  0.614769  0.169040  0.074669  1.000000
-    801   1     15   7   2    24     3.526   12770.682     3913.6     2931.7    416.816   3.526   0.000   0.000  0.614769  0.169040  0.074669  1.000000
-    802   1      4  16   2    24     3.552   12816.869     1042.2     1036.4    277.319   3.552   0.000   0.000  0.616993  0.168397  0.073695  1.000000
-    803   1      8  14   4    24     3.552   12816.869      330.1      328.3     87.835   3.552   0.000   0.000  0.616993  0.168397  0.073695  1.000000
-    804   1     14   8   4    24     3.552   12816.869     1627.9     1618.8    433.161   3.552   0.000   0.000  0.616993  0.168397  0.073695  1.000000
-    805   1     16   4   2    24     3.552   12816.869      941.0      935.8    250.388   3.552   0.000   0.000  0.616993  0.168397  0.073695  1.000000
-    806   1      7  15   0    12     3.577   12863.561        4.9        4.9      0.841   3.577   0.000   0.000  0.619241  0.167752  0.072728  1.000000
-    807   1      9  12   7    24     3.577   12863.561     2603.7     2582.7    443.506   3.577   0.000   0.000  0.619241  0.167752  0.072728  1.000000
-    808   1     11  12   3    24     3.577   12863.561      163.5      162.2     27.856   3.577   0.000   0.000  0.619241  0.167752  0.072728  1.000000
-    809   1     12   9   7    24     3.577   12863.561      127.0      126.0     21.628   3.577   0.000   0.000  0.619241  0.167752  0.072728  1.000000
-    810   1     12  11   3    24     3.577   12863.561     3361.3     3334.3    572.561   3.577   0.000   0.000  0.619241  0.167752  0.072728  1.000000
-    811   1     15   7   0    12     3.577   12863.561      364.8      361.9     62.143   3.577   0.000   0.000  0.619241  0.167752  0.072728  1.000000
-    812   1     16   3   3    24     3.577   12863.561     1254.2     1244.1    213.634   3.577   0.000   0.000  0.619241  0.167752  0.072728  1.000000
-    813   1      4  16   0    12     3.604   12910.767      638.7      637.3    157.034   3.604   0.000   0.000  0.621513  0.167105  0.071767  1.000000
-    814   1     12   8   8    24     3.604   12910.767     2801.8     2795.4    688.831   3.604   0.000   0.000  0.621513  0.167105  0.071767  1.000000
-    815   1     16   4   0    12     3.604   12910.767     1363.6     1360.5    335.257   3.604   0.000   0.000  0.621513  0.167105  0.071767  1.000000
-    816   1      6  15   3    24     3.630   12958.495      994.5      159.2    189.304   3.630   0.000   0.000  0.623811  0.166455  0.070814  1.000000
-    817   1      7  14   5    24     3.630   12958.495      188.0       30.1     35.779   3.630   0.000   0.000  0.623811  0.166455  0.070814  1.000000
-    818   1     10  11   7    24     3.630   12958.495      607.1       97.2    115.560   3.630   0.000   0.000  0.623811  0.166455  0.070814  1.000000
-    819   1     10  13   1    24     3.630   12958.495      178.4       28.6     33.963   3.630   0.000   0.000  0.623811  0.166455  0.070814  1.000000
-    820   1     11  10   7    24     3.630   12958.495     2492.6      399.0    474.455   3.630   0.000   0.000  0.623811  0.166455  0.070814  1.000000
-    821   1     13  10   1    24     3.630   12958.495     2987.9      478.3    568.748   3.630   0.000   0.000  0.623811  0.166455  0.070814  1.000000
-    822   1     14   7   5    24     3.630   12958.495      349.9       56.0     66.602   3.630   0.000   0.000  0.623811  0.166455  0.070814  1.000000
-    823   1     15   6   3    24     3.630   12958.495       33.4        5.3      6.356   3.630   0.000   0.000  0.623811  0.166455  0.070814  1.000000
-    824   1     14   6   6    24     3.658   13006.760       75.0        0.0    149.460   3.658   0.000   0.000  0.626134  0.165803  0.069868  1.000000
-    825   1      3  16   1    24     3.685   13055.564      989.1      889.4     89.668   3.685   0.000   0.000  0.628483  0.165149  0.068928  1.000000
-    826   1      5  15   4    24     3.685   13055.564      687.0      617.7     62.283   3.685   0.000   0.000  0.628483  0.165149  0.068928  1.000000
-    827   1      9  11   8    24     3.685   13055.564       14.8       13.3      1.345   3.685   0.000   0.000  0.628483  0.165149  0.068928  1.000000
-    828   1      9  13   4    24     3.685   13055.564     1087.9      978.2     98.627   3.685   0.000   0.000  0.628483  0.165149  0.068928  1.000000
-    829   1     11   9   8    24     3.685   13055.564     1968.5     1770.1    178.466   3.685   0.000   0.000  0.628483  0.165149  0.068928  1.000000
-    830   1     11  12   1    24     3.685   13055.564      738.1      663.7     66.919   3.685   0.000   0.000  0.628483  0.165149  0.068928  1.000000
-    831   1     12  11   1    24     3.685   13055.564     2338.7     2102.9    212.023   3.685   0.000   0.000  0.628483  0.165149  0.068928  1.000000
-    832   1     13   9   4    24     3.685   13055.564     4754.7     4275.4    431.060   3.685   0.000   0.000  0.628483  0.165149  0.068928  1.000000
-    833   1     15   5   4    24     3.685   13055.564     4097.0     3684.0    371.434   3.685   0.000   0.000  0.628483  0.165149  0.068928  1.000000
-    834   1     16   3   1    24     3.685   13055.564     1942.6     1746.8    176.119   3.685   0.000   0.000  0.628483  0.165149  0.068928  1.000000
-    835   1      8  14   2    24     3.713   13104.925      531.3      388.1    107.172   3.713   0.000   0.000  0.630860  0.164492  0.067996  1.000000
-    836   1     10  10   8    24     3.713   13104.925      852.1      622.4    171.872   3.713   0.000   0.000  0.630860  0.164492  0.067996  1.000000
-    837   1     14   8   2    24     3.713   13104.925     3530.1     2578.4    712.043   3.713   0.000   0.000  0.630860  0.164492  0.067996  1.000000
-    838   1     16   2   2    24     3.713   13104.925      475.4      347.2     95.891   3.713   0.000   0.000  0.630860  0.164492  0.067996  1.000000
-    839   1      6  15   1    24     3.741   13154.848     3494.1     1985.7   1036.139   3.741   0.000   0.000  0.633263  0.163832  0.067071  1.000000
-    840   1     10   9   9    24     3.741   13154.848       74.0       42.0     21.933   3.741   0.000   0.000  0.633263  0.163832  0.067071  1.000000
+    781   1     12  12   0    12     3.404   12547.009     3717.6     4150.4    632.864   3.404   0.000   0.000  0.604002  0.172217  0.079647  1.000000
+    782   1     16   4   4    24     3.404   12547.009     3489.7     3896.0    594.070   3.404   0.000   0.000  0.604002  0.172217  0.079647  1.000000
+    783   1      6  15   5    24     3.427   12590.804     1207.2     1439.1    192.572   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
+    784   1      9  13   6    24     3.427   12590.804      430.6      513.3     68.686   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
+    785   1      9  14   3    24     3.427   12590.804     7028.0     8378.2   1121.113   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
+    786   1     13   9   6    24     3.427   12590.804     1097.8     1308.8    175.129   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
+    787   1     14   9   3    24     3.427   12590.804     1939.1     2311.6    309.322   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
+    788   1     15   6   5    24     3.427   12590.804      181.8      216.8     29.008   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
+    789   1      5  16   1    24     3.476   12679.786      265.4      390.3    109.928   3.476   0.000   0.000  0.610394  0.170316  0.076639  1.000000
+    790   1      8  13   7    24     3.476   12679.786     1274.6     1874.4    527.941   3.476   0.000   0.000  0.610394  0.170316  0.076639  1.000000
+    791   1     13   8   7    24     3.476   12679.786      658.6      968.6    272.806   3.476   0.000   0.000  0.610394  0.170316  0.076639  1.000000
+    792   1     16   5   1    24     3.476   12679.786     1323.5     1946.3    548.191   3.476   0.000   0.000  0.610394  0.170316  0.076639  1.000000
+    793   1     10  12   6    24     3.501   12724.990      548.9      623.0    324.631   3.501   0.000   0.000  0.612570  0.169678  0.075651  1.000000
+    794   1     12  10   6    24     3.501   12724.990     1056.7     1199.4    624.967   3.501   0.000   0.000  0.612570  0.169678  0.075651  1.000000
+    795   1      7  15   2    24     3.526   12770.682     3463.4     2595.0    368.843   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
+    796   1      9  14   1    24     3.526   12770.682     1925.4     1442.6    205.045   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
+    797   1     10  13   3    24     3.526   12770.682     2416.8     1810.9    257.387   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
+    798   1     11  11   6    24     3.526   12770.682     2091.1     1566.8    222.693   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
+    799   1     13  10   3    24     3.526   12770.682      843.7      632.2     89.857   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
+    800   1     14   9   1    24     3.526   12770.682      296.6      222.3     31.592   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
+    801   1     15   7   2    24     3.526   12770.682     3914.7     2933.2    416.901   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
+    802   1      4  16   2    24     3.551   12816.869     1042.6     1037.2    277.407   3.551   0.000   0.000  0.616993  0.168395  0.073695  1.000000
+    803   1      8  14   4    24     3.551   12816.869      330.1      328.4     87.836   3.551   0.000   0.000  0.616993  0.168395  0.073695  1.000000
+    804   1     14   8   4    24     3.551   12816.869     1628.4     1620.0    433.284   3.551   0.000   0.000  0.616993  0.168395  0.073695  1.000000
+    805   1     16   4   2    24     3.551   12816.869      941.3      936.4    250.458   3.551   0.000   0.000  0.616993  0.168395  0.073695  1.000000
+    806   1      7  15   0    12     3.577   12863.561        4.9        4.9      0.841   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
+    807   1      9  12   7    24     3.577   12863.561     2604.4     2584.1    443.600   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
+    808   1     11  12   3    24     3.577   12863.561      163.5      162.3     27.853   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
+    809   1     12   9   7    24     3.577   12863.561      126.9      126.0     21.622   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
+    810   1     12  11   3    24     3.577   12863.561     3362.5     3336.2    572.713   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
+    811   1     15   7   0    12     3.577   12863.561      365.0      362.1     62.165   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
+    812   1     16   3   3    24     3.577   12863.561     1254.7     1244.9    213.706   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
+    813   1      4  16   0    12     3.604   12910.767      638.8      637.6    157.050   3.604   0.000   0.000  0.621513  0.167103  0.071767  1.000000
+    814   1     12   8   8    24     3.604   12910.767     2802.9     2797.6    689.065   3.604   0.000   0.000  0.621513  0.167103  0.071767  1.000000
+    815   1     16   4   0    12     3.604   12910.767     1363.9     1361.3    335.288   3.604   0.000   0.000  0.621513  0.167103  0.071767  1.000000
+    816   1      6  15   3    24     3.630   12958.495      994.8      159.7    189.335   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
+    817   1      7  14   5    24     3.630   12958.495      188.1       30.2     35.805   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
+    818   1     10  11   7    24     3.630   12958.495      607.2       97.5    115.571   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
+    819   1     10  13   1    24     3.630   12958.495      178.5       28.7     33.969   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
+    820   1     11  10   7    24     3.630   12958.495     2493.5      400.3    474.591   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
+    821   1     13  10   1    24     3.630   12958.495     2989.1      479.9    568.919   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
+    822   1     14   7   5    24     3.630   12958.495      350.0       56.2     66.618   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
+    823   1     15   6   3    24     3.630   12958.495       33.4        5.4      6.363   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
+    824   1     14   6   6    24     3.658   13006.758       75.0        0.0    149.453   3.658   0.000   0.000  0.626134  0.165802  0.069868  1.000000
+    825   1      3  16   1    24     3.685   13055.563      989.3      889.7     89.678   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
+    826   1      5  15   4    24     3.685   13055.563      687.4      618.2     62.316   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
+    827   1      9  11   8    24     3.685   13055.563       14.8       13.3      1.346   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
+    828   1      9  13   4    24     3.685   13055.563     1088.2      978.6     98.642   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
+    829   1     11   9   8    24     3.685   13055.563     1968.9     1770.6    178.478   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
+    830   1     11  12   1    24     3.685   13055.563      738.3      664.0     66.928   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
+    831   1     12  11   1    24     3.685   13055.563     2339.8     2104.2    212.105   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
+    832   1     13   9   4    24     3.685   13055.563     4756.6     4277.6    431.187   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
+    833   1     15   5   4    24     3.685   13055.563     4098.7     3686.0    371.554   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
+    834   1     16   3   1    24     3.685   13055.563     1943.0     1747.4    176.135   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
+    835   1      8  14   2    24     3.713   13104.925      531.6      388.4    107.195   3.713   0.000   0.000  0.630860  0.164490  0.067996  1.000000
+    836   1     10  10   8    24     3.713   13104.925      852.6      623.0    171.939   3.713   0.000   0.000  0.630860  0.164490  0.067996  1.000000
+    837   1     14   8   2    24     3.713   13104.925     3531.7     2580.4    712.193   3.713   0.000   0.000  0.630860  0.164490  0.067996  1.000000
+    838   1     16   2   2    24     3.713   13104.925      475.8      347.6     95.950   3.713   0.000   0.000  0.630860  0.164490  0.067996  1.000000
+    839   1      6  15   1    24     3.741   13154.848     3495.5     1988.4   1036.378   3.741   0.000   0.000  0.633263  0.163831  0.067071  1.000000
+    840   1     10   9   9    24     3.741   13154.848       74.0       42.1     21.932   3.741   0.000   0.000  0.633263  0.163831  0.067071  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    841   1     15   6   1    24     3.741   13154.848       44.3       25.2     13.146   3.741   0.000   0.000  0.633263  0.163832  0.067071  1.000000
-    842   1      2  16   0    12     3.770   13205.347      893.6      605.0    142.345   3.770   0.000   0.000  0.635694  0.163170  0.066153  1.000000
-    843   1      8  14   0    12     3.770   13205.347      258.0      174.7     41.100   3.770   0.000   0.000  0.635694  0.163170  0.066153  1.000000
-    844   1     10  12   4    24     3.770   13205.347     1364.6      923.8    217.359   3.770   0.000   0.000  0.635694  0.163170  0.066153  1.000000
-    845   1     12  10   4    24     3.770   13205.347      250.9      169.9     39.964   3.770   0.000   0.000  0.635694  0.163170  0.066153  1.000000
-    846   1     14   8   0    12     3.770   13205.347     2387.1     1616.1    380.243   3.770   0.000   0.000  0.635694  0.163170  0.066153  1.000000
-    847   1     16   2   0    12     3.770   13205.347     3237.3     2191.7    515.659   3.770   0.000   0.000  0.635694  0.163170  0.066153  1.000000
-    848   1      8  13   5    24     3.799   13256.431     3948.9        0.0    921.454   3.799   0.000   0.000  0.638153  0.162506  0.065242  1.000000
-    849   1     11  11   4    24     3.799   13256.431        7.1        0.0      1.666   3.799   0.000   0.000  0.638153  0.162506  0.065242  1.000000
-    850   1     13   8   5    24     3.799   13256.431      231.9        0.0     54.113   3.799   0.000   0.000  0.638153  0.162506  0.065242  1.000000
-    851   1     16   1   1    24     3.799   13256.431      494.8        0.0    115.446   3.799   0.000   0.000  0.638153  0.162506  0.065242  1.000000
-    852   1     16   0   0     6     3.829   13308.114     2842.5     2381.7   1035.529   3.829   0.000   0.000  0.640641  0.161839  0.064338  1.000000
-    853   1      5  15   2    24     3.859   13360.405     2001.9     3173.9    381.221   3.859   0.000   0.000  0.643158  0.161169  0.063441  1.000000
-    854   1      7  13   6    24     3.859   13360.405     1704.1     2701.6    324.496   3.859   0.000   0.000  0.643158  0.161169  0.063441  1.000000
-    855   1      7  14   3    24     3.859   13360.405     2223.0     3524.3    423.315   3.859   0.000   0.000  0.643158  0.161169  0.063441  1.000000
-    856   1      9  13   2    24     3.859   13360.405      570.1      903.8    108.560   3.859   0.000   0.000  0.643158  0.161169  0.063441  1.000000
-    857   1     13   7   6    24     3.859   13360.405      188.1      298.2     35.812   3.859   0.000   0.000  0.643158  0.161169  0.063441  1.000000
-    858   1     13   9   2    24     3.859   13360.405      199.8      316.8     38.047   3.859   0.000   0.000  0.643158  0.161169  0.063441  1.000000
-    859   1     14   7   3    24     3.859   13360.405     1596.6     2531.2    304.028   3.859   0.000   0.000  0.643158  0.161169  0.063441  1.000000
-    860   1     15   5   2    24     3.859   13360.405      150.3      238.2     28.617   3.859   0.000   0.000  0.643158  0.161169  0.063441  1.000000
-    861   1      4  15   3    24     3.921   13466.864     1130.8     1194.2    119.909   3.921   0.000   0.000  0.648283  0.159821  0.061668  1.000000
-    862   1      5  15   0    12     3.921   13466.864     3938.0     4158.9    417.593   3.921   0.000   0.000  0.648283  0.159821  0.061668  1.000000
-    863   1      9  12   5    24     3.921   13466.864     3084.5     3257.5    327.080   3.921   0.000   0.000  0.648283  0.159821  0.061668  1.000000
-    864   1      9  13   0    12     3.921   13466.864     3563.7     3763.6    377.896   3.921   0.000   0.000  0.648283  0.159821  0.061668  1.000000
-    865   1     12   9   5    24     3.921   13466.864     1568.5     1656.5    166.324   3.921   0.000   0.000  0.648283  0.159821  0.061668  1.000000
-    866   1     13   9   0    12     3.921   13466.864      103.3      109.1     10.955   3.921   0.000   0.000  0.648283  0.159821  0.061668  1.000000
-    867   1     15   4   3    24     3.921   13466.864      377.7      398.9     40.050   3.921   0.000   0.000  0.648283  0.159821  0.061668  1.000000
-    868   1     15   5   0    12     3.921   13466.864      144.3      152.4     15.303   3.921   0.000   0.000  0.648283  0.159821  0.061668  1.000000
-    869   1      6  14   4    24     3.952   13521.058     1034.2      945.7    111.775   3.952   0.000   0.000  0.650892  0.159144  0.060792  1.000000
-    870   1     10  12   2    24     3.952   13521.058     7635.9     6982.7    825.311   3.952   0.000   0.000  0.650892  0.159144  0.060792  1.000000
-    871   1     12  10   2    24     3.952   13521.058      839.4      767.6     90.729   3.952   0.000   0.000  0.650892  0.159144  0.060792  1.000000
-    872   1     14   6   4    24     3.952   13521.058     1757.9     1607.5    190.003   3.952   0.000   0.000  0.650892  0.159144  0.060792  1.000000
-    873   1      7  14   1    24     3.985   13575.908     2693.5     2807.9    329.506   3.985   0.000   0.000  0.653532  0.158463  0.059923  1.000000
-    874   1     10  11   5    24     3.985   13575.908      660.7      688.7     80.822   3.985   0.000   0.000  0.653532  0.158463  0.059923  1.000000
-    875   1     11  10   5    24     3.985   13575.908      408.0      425.3     49.913   3.985   0.000   0.000  0.653532  0.158463  0.059923  1.000000
-    876   1     11  11   2    24     3.985   13575.908     3677.2     3833.4    449.842   3.985   0.000   0.000  0.653532  0.158463  0.059923  1.000000
-    877   1     14   5   5    24     3.985   13575.908     1277.7     1332.0    156.308   3.985   0.000   0.000  0.653532  0.158463  0.059923  1.000000
-    878   1     14   7   1    24     3.985   13575.908     1698.6     1770.8    207.799   3.985   0.000   0.000  0.653532  0.158463  0.059923  1.000000
-    879   1      8  12   6    24     4.017   13631.435      823.0     1423.1    253.710   4.017   0.000   0.000  0.656205  0.157780  0.059062  1.000000
-    880   1     10  12   0    12     4.017   13631.435       13.7       23.7      4.217   4.017   0.000   0.000  0.656205  0.157780  0.059062  1.000000
-    881   1     12   8   6    24     4.017   13631.435     1862.4     3220.2    574.102   4.017   0.000   0.000  0.656205  0.157780  0.059062  1.000000
-    882   1     12  10   0    12     4.017   13631.435      376.4      650.7    116.014   4.017   0.000   0.000  0.656205  0.157780  0.059062  1.000000
-    883   1      4  15   1    24     4.050   13687.647      286.0      345.3     53.548   4.050   0.000   0.000  0.658911  0.157094  0.058207  1.000000
-    884   1      8  13   3    24     4.050   13687.647      166.2      200.7     31.126   4.050   0.000   0.000  0.658911  0.157094  0.058207  1.000000
-    885   1     11  11   0    12     4.050   13687.647      341.1      411.8     63.862   4.050   0.000   0.000  0.658911  0.157094  0.058207  1.000000
-    886   1     12   7   7    24     4.050   13687.647     2327.8     2810.2    435.830   4.050   0.000   0.000  0.658911  0.157094  0.058207  1.000000
-    887   1     13   8   3    24     4.050   13687.647     1253.2     1512.9    234.639   4.050   0.000   0.000  0.658911  0.157094  0.058207  1.000000
-    888   1     15   4   1    24     4.050   13687.647     4200.2     5070.6    786.391   4.050   0.000   0.000  0.658911  0.157094  0.058207  1.000000
-    889   1      3  15   2    24     4.119   13802.190      940.5      908.2    151.564   4.119   0.000   0.000  0.664425  0.155713  0.056518  1.000000
-    890   1      9  11   6    24     4.119   13802.190     1094.3     1056.8    176.352   4.119   0.000   0.000  0.664425  0.155713  0.056518  1.000000
-    891   1     11   9   6    24     4.119   13802.190     1141.8     1102.6    184.004   4.119   0.000   0.000  0.664425  0.155713  0.056518  1.000000
-    892   1     15   3   2    24     4.119   13802.190     5322.0     5139.5    857.673   4.119   0.000   0.000  0.664425  0.155713  0.056518  1.000000
-    893   1      6  14   2    24     4.153   13860.550     1355.1     1198.9    369.448   4.153   0.000   0.000  0.667235  0.155018  0.055685  1.000000
-    894   1     10  10   6    24     4.153   13860.550      376.4      333.0    102.620   4.153   0.000   0.000  0.667235  0.155018  0.055685  1.000000
-    895   1     14   6   2    24     4.153   13860.550     1593.6     1409.8    434.469   4.153   0.000   0.000  0.667235  0.155018  0.055685  1.000000
-    896   1      3  15   0    12     4.189   13919.657      122.6      115.8     13.365   4.189   0.000   0.000  0.670080  0.154321  0.054858  1.000000
-    897   1      7  13   4    24     4.189   13919.657     7407.2     6997.4    807.582   4.189   0.000   0.000  0.670080  0.154321  0.054858  1.000000
-    898   1      8  11   7    24     4.189   13919.657      519.9      491.2     56.685   4.189   0.000   0.000  0.670080  0.154321  0.054858  1.000000
-    899   1      8  13   1    24     4.189   13919.657     1244.2     1175.4    135.651   4.189   0.000   0.000  0.670080  0.154321  0.054858  1.000000
-    900   1      9  12   3    24     4.189   13919.657       28.7       27.1      3.129   4.189   0.000   0.000  0.670080  0.154321  0.054858  1.000000
+    841   1     15   6   1    24     3.741   13154.848       44.3       25.2     13.143   3.741   0.000   0.000  0.633263  0.163831  0.067071  1.000000
+    842   1      2  16   0    12     3.770   13205.346      893.9      605.5    142.377   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
+    843   1      8  14   0    12     3.770   13205.346      258.3      174.9     41.139   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
+    844   1     10  12   4    24     3.770   13205.346     1364.8      924.4    217.367   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
+    845   1     12  10   4    24     3.770   13205.346      250.9      170.0     39.967   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
+    846   1     14   8   0    12     3.770   13205.346     2388.0     1617.4    380.328   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
+    847   1     16   2   0    12     3.770   13205.346     3238.7     2193.6    515.824   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
+    848   1      8  13   5    24     3.799   13256.430     3950.6        0.0    921.716   3.799   0.000   0.000  0.638153  0.162504  0.065242  1.000000
+    849   1     11  11   4    24     3.799   13256.430        7.1        0.0      1.666   3.799   0.000   0.000  0.638153  0.162504  0.065242  1.000000
+    850   1     13   8   5    24     3.799   13256.430      232.0        0.0     54.135   3.799   0.000   0.000  0.638153  0.162504  0.065242  1.000000
+    851   1     16   1   1    24     3.799   13256.430      494.8        0.0    115.453   3.799   0.000   0.000  0.638153  0.162504  0.065242  1.000000
+    852   1     16   0   0     6     3.829   13308.114     2843.3     2384.5   1035.776   3.829   0.000   0.000  0.640641  0.161837  0.064338  1.000000
+    853   1      5  15   2    24     3.859   13360.405     2002.0     3174.7    381.237   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
+    854   1      7  13   6    24     3.859   13360.405     1704.4     2702.8    324.573   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
+    855   1      7  14   3    24     3.859   13360.405     2223.6     3526.1    423.438   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
+    856   1      9  13   2    24     3.859   13360.405      570.2      904.3    108.589   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
+    857   1     13   7   6    24     3.859   13360.405      188.2      298.5     35.841   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
+    858   1     13   9   2    24     3.859   13360.405      199.7      316.7     38.034   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
+    859   1     14   7   3    24     3.859   13360.405     1597.1     2532.7    304.145   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
+    860   1     15   5   2    24     3.859   13360.405      150.3      238.4     28.626   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
+    861   1      4  15   3    24     3.921   13466.864     1131.4     1195.0    119.968   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
+    862   1      5  15   0    12     3.921   13466.864     3939.6     4161.0    417.740   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
+    863   1      9  12   5    24     3.921   13466.864     3085.3     3258.7    327.158   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
+    864   1      9  13   0    12     3.921   13466.864     3564.1     3764.4    377.922   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
+    865   1     12   9   5    24     3.921   13466.864     1569.1     1657.3    166.387   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
+    866   1     13   9   0    12     3.921   13466.864      103.4      109.2     10.961   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
+    867   1     15   4   3    24     3.921   13466.864      377.8      399.0     40.057   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
+    868   1     15   5   0    12     3.921   13466.864      144.3      152.4     15.299   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
+    869   1      6  14   4    24     3.952   13521.057     1034.6      946.2    111.816   3.952   0.000   0.000  0.650892  0.159142  0.060792  1.000000
+    870   1     10  12   2    24     3.952   13521.057     7639.1     6986.0    825.581   3.952   0.000   0.000  0.650892  0.159142  0.060792  1.000000
+    871   1     12  10   2    24     3.952   13521.057      839.7      767.9     90.745   3.952   0.000   0.000  0.650892  0.159142  0.060792  1.000000
+    872   1     14   6   4    24     3.952   13521.057     1758.1     1607.8    190.009   3.952   0.000   0.000  0.650892  0.159142  0.060792  1.000000
+    873   1      7  14   1    24     3.985   13575.910     2694.4     2809.4    329.607   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
+    874   1     10  11   5    24     3.985   13575.910      660.8      689.0     80.836   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
+    875   1     11  10   5    24     3.985   13575.910      408.1      425.5     49.918   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
+    876   1     11  11   2    24     3.985   13575.910     3677.9     3834.8    449.910   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
+    877   1     14   5   5    24     3.985   13575.910     1278.2     1332.8    156.363   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
+    878   1     14   7   1    24     3.985   13575.910     1698.9     1771.4    207.830   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
+    879   1      8  12   6    24     4.017   13631.435      823.4     1423.9    253.796   4.017   0.000   0.000  0.656205  0.157778  0.059062  1.000000
+    880   1     10  12   0    12     4.017   13631.435       13.7       23.7      4.225   4.017   0.000   0.000  0.656205  0.157778  0.059062  1.000000
+    881   1     12   8   6    24     4.017   13631.435     1862.9     3221.6    574.199   4.017   0.000   0.000  0.656205  0.157778  0.059062  1.000000
+    882   1     12  10   0    12     4.017   13631.435      376.5      651.1    116.040   4.017   0.000   0.000  0.656205  0.157778  0.059062  1.000000
+    883   1      4  15   1    24     4.050   13687.646      286.0      345.3     53.537   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
+    884   1      8  13   3    24     4.050   13687.646      166.5      201.0     31.160   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
+    885   1     11  11   0    12     4.050   13687.646      341.2      411.9     63.866   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
+    886   1     12   7   7    24     4.050   13687.646     2328.6     2811.7    435.934   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
+    887   1     13   8   3    24     4.050   13687.646     1253.7     1513.8    234.704   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
+    888   1     15   4   1    24     4.050   13687.646     4201.8     5073.5    786.596   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
+    889   1      3  15   2    24     4.119   13802.188      940.9      908.9    151.621   4.119   0.000   0.000  0.664425  0.155712  0.056518  1.000000
+    890   1      9  11   6    24     4.119   13802.188     1095.0     1057.7    176.450   4.119   0.000   0.000  0.664425  0.155712  0.056518  1.000000
+    891   1     11   9   6    24     4.119   13802.188     1142.0     1103.1    184.027   4.119   0.000   0.000  0.664425  0.155712  0.056518  1.000000
+    892   1     15   3   2    24     4.119   13802.188     5323.4     5142.0    857.827   4.119   0.000   0.000  0.664425  0.155712  0.056518  1.000000
+    893   1      6  14   2    24     4.153   13860.549     1355.8     1199.9    369.599   4.153   0.000   0.000  0.667235  0.155017  0.055685  1.000000
+    894   1     10  10   6    24     4.153   13860.549      376.4      333.1    102.614   4.153   0.000   0.000  0.667235  0.155017  0.055685  1.000000
+    895   1     14   6   2    24     4.153   13860.549     1594.2     1410.9    434.586   4.153   0.000   0.000  0.667235  0.155017  0.055685  1.000000
+    896   1      3  15   0    12     4.189   13919.658      122.6      115.8     13.365   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    897   1      7  13   4    24     4.189   13919.658     7409.7     7000.9    807.788   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    898   1      8  11   7    24     4.189   13919.658      520.0      491.4     56.694   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    899   1      8  13   1    24     4.189   13919.658     1245.0     1176.3    135.722   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    900   1      9  12   3    24     4.189   13919.658       28.7       27.1      3.128   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    901   1     11   8   7    24     4.189   13919.657      614.1      580.2     66.957   4.189   0.000   0.000  0.670080  0.154321  0.054858  1.000000
-    902   1     12   9   3    24     4.189   13919.657      751.9      710.3     81.975   4.189   0.000   0.000  0.670080  0.154321  0.054858  1.000000
-    903   1     13   7   4    24     4.189   13919.657     1319.0     1246.0    143.801   4.189   0.000   0.000  0.670080  0.154321  0.054858  1.000000
-    904   1     13   8   1    24     4.189   13919.657      465.1      439.3     50.704   4.189   0.000   0.000  0.670080  0.154321  0.054858  1.000000
-    905   1     15   3   0    12     4.189   13919.657     1454.5     1374.0    158.579   4.189   0.000   0.000  0.670080  0.154321  0.054858  1.000000
-    906   1      6  14   0    12     4.225   13979.527      267.7      219.1    237.671   4.225   0.000   0.000  0.672962  0.153620  0.054038  1.000000
-    907   1     14   6   0    12     4.225   13979.527       50.9       41.6     45.146   4.225   0.000   0.000  0.672962  0.153620  0.054038  1.000000
-    908   1      2  15   1    24     4.262   14040.176     3441.6     3322.8    201.216   4.262   0.000   0.000  0.675882  0.152917  0.053226  1.000000
-    909   1      5  14   3    24     4.262   14040.176     2327.5     2247.1    136.077   4.262   0.000   0.000  0.675882  0.152917  0.053226  1.000000
-    910   1      6  13   5    24     4.262   14040.176     1588.9     1534.1     92.898   4.262   0.000   0.000  0.675882  0.152917  0.053226  1.000000
-    911   1      9  10   7    24     4.262   14040.176     4794.0     4628.5    280.282   4.262   0.000   0.000  0.675882  0.152917  0.053226  1.000000
-    912   1     10   9   7    24     4.262   14040.176       50.6       48.9      2.961   4.262   0.000   0.000  0.675882  0.152917  0.053226  1.000000
-    913   1     10  11   3    24     4.262   14040.176      724.7      699.7     42.371   4.262   0.000   0.000  0.675882  0.152917  0.053226  1.000000
-    914   1     11  10   3    24     4.262   14040.176     3329.5     3214.6    194.659   4.262   0.000   0.000  0.675882  0.152917  0.053226  1.000000
-    915   1     13   6   5    24     4.262   14040.176     7051.8     6808.4    412.285   4.262   0.000   0.000  0.675882  0.152917  0.053226  1.000000
-    916   1     14   5   3    24     4.262   14040.176     2396.0     2313.3    140.083   4.262   0.000   0.000  0.675882  0.152917  0.053226  1.000000
-    917   1     15   2   1    24     4.262   14040.176      767.3      740.8     44.859   4.262   0.000   0.000  0.675882  0.152917  0.053226  1.000000
-    918   1     10   8   8    24     4.299   14101.621     4048.0     3958.1    432.300   4.299   0.000   0.000  0.678840  0.152210  0.052420  1.000000
-    919   1     14   4   4    24     4.299   14101.621     6529.5     6384.5    697.305   4.299   0.000   0.000  0.678840  0.152210  0.052420  1.000000
-    920   1      1  15   0    12     4.337   14163.881        4.3        5.6      1.222   4.337   0.000   0.000  0.681837  0.151500  0.051622  1.000000
-    921   1      9   9   8    24     4.337   14163.881      737.3      956.1    210.128   4.337   0.000   0.000  0.681837  0.151500  0.051622  1.000000
-    922   1      9  12   1    24     4.337   14163.881      914.7     1186.2    260.683   4.337   0.000   0.000  0.681837  0.151500  0.051622  1.000000
-    923   1     12   9   1    24     4.337   14163.881     2310.6     2996.5    658.544   4.337   0.000   0.000  0.681837  0.151500  0.051622  1.000000
-    924   1     15   1   0    12     4.337   14163.881      193.6      251.0     55.170   4.337   0.000   0.000  0.681837  0.151500  0.051622  1.000000
-    925   1      8  12   4    24     4.376   14226.972       56.0        0.0    129.839   4.376   0.000   0.000  0.684874  0.150787  0.050830  1.000000
-    926   1     12   8   4    24     4.376   14226.972       57.4        0.0    132.862   4.376   0.000   0.000  0.684874  0.150787  0.050830  1.000000
-    927   1      5  14   1    24     4.415   14290.914     2247.4     2228.7    152.449   4.415   0.000   0.000  0.687952  0.150071  0.050046  1.000000
-    928   1      7  13   2    24     4.415   14290.914      117.5      116.5      7.969   4.415   0.000   0.000  0.687952  0.150071  0.050046  1.000000
-    929   1     10  11   1    24     4.415   14290.914    18000.0    17850.3   1221.009   4.415   0.000   0.000  0.687952  0.150071  0.050046  1.000000
-    930   1     11  10   1    24     4.415   14290.914     3427.0     3398.5    232.468   4.415   0.000   0.000  0.687952  0.150071  0.050046  1.000000
-    931   1     13   7   2    24     4.415   14290.914     3109.3     3083.4    210.916   4.415   0.000   0.000  0.687952  0.150071  0.050046  1.000000
-    932   1     14   5   1    24     4.415   14290.914      268.4      266.2     18.210   4.415   0.000   0.000  0.687952  0.150071  0.050046  1.000000
-    933   1      7  12   5    24     4.496   14421.426     1310.7     1137.0     95.146   4.496   0.000   0.000  0.694235  0.148629  0.048498  1.000000
-    934   1      7  13   0    12     4.496   14421.426        6.1        5.2      0.439   4.496   0.000   0.000  0.694235  0.148629  0.048498  1.000000
-    935   1      9  11   4    24     4.496   14421.426     3650.7     3166.9    265.017   4.496   0.000   0.000  0.694235  0.148629  0.048498  1.000000
-    936   1     11   9   4    24     4.496   14421.426     8017.8     6955.2    582.035   4.496   0.000   0.000  0.694235  0.148629  0.048498  1.000000
-    937   1     12   7   5    24     4.496   14421.426     5904.7     5122.1    428.637   4.496   0.000   0.000  0.694235  0.148629  0.048498  1.000000
-    938   1     13   7   0    12     4.496   14421.426      112.3       97.4      8.153   4.496   0.000   0.000  0.694235  0.148629  0.048498  1.000000
-    939   1      4  14   2    24     4.538   14488.040       62.6       70.6      8.152   4.538   0.000   0.000  0.697442  0.147903  0.047735  1.000000
-    940   1     10  10   4    24     4.538   14488.040     4928.0     5560.7    642.175   4.538   0.000   0.000  0.697442  0.147903  0.047735  1.000000
-    941   1     12   6   6    24     4.538   14488.040     1626.7     1835.6    211.982   4.538   0.000   0.000  0.697442  0.147903  0.047735  1.000000
-    942   1     14   4   2    24     4.538   14488.040     1310.3     1478.5    170.743   4.538   0.000   0.000  0.697442  0.147903  0.047735  1.000000
-    943   1      6  13   3    24     4.580   14555.582     1193.6      947.3    160.268   4.580   0.000   0.000  0.700693  0.147173  0.046978  1.000000
-    944   1     13   6   3    24     4.580   14555.582     1791.4     1421.8    240.534   4.580   0.000   0.000  0.700693  0.147173  0.046978  1.000000
-    945   1     14   3   3    24     4.580   14555.582     4603.5     3653.6    618.102   4.580   0.000   0.000  0.700693  0.147173  0.046978  1.000000
-    946   1      4  14   0    12     4.624   14624.080     6701.4     7171.2    760.929   4.624   0.000   0.000  0.703990  0.146441  0.046229  1.000000
-    947   1      8  12   2    24     4.624   14624.080      426.9      456.9     48.478   4.624   0.000   0.000  0.703990  0.146441  0.046229  1.000000
-    948   1     12   8   2    24     4.624   14624.080     2225.3     2381.3    252.681   4.624   0.000   0.000  0.703990  0.146441  0.046229  1.000000
-    949   1     14   4   0    12     4.624   14624.080      802.3      858.5     91.098   4.624   0.000   0.000  0.703990  0.146441  0.046229  1.000000
-    950   1      5  13   4    24     4.668   14693.553     2561.7     2068.8    623.055   4.668   0.000   0.000  0.707335  0.145704  0.045487  1.000000
-    951   1      8  11   5    24     4.668   14693.553      972.2      785.2    236.467   4.668   0.000   0.000  0.707335  0.145704  0.045487  1.000000
-    952   1     11   8   5    24     4.668   14693.553      175.1      141.4     42.589   4.668   0.000   0.000  0.707335  0.145704  0.045487  1.000000
-    953   1     13   5   4    24     4.668   14693.553      393.1      317.4     95.599   4.668   0.000   0.000  0.707335  0.145704  0.045487  1.000000
-    954   1      8  12   0    12     4.713   14764.026      703.4        0.0    526.952   4.713   0.000   0.000  0.710727  0.144965  0.044752  1.000000
-    955   1     12   8   0    12     4.713   14764.026      129.9        0.0     97.315   4.713   0.000   0.000  0.710727  0.144965  0.044752  1.000000
-    956   1      3  14   1    24     4.758   14835.523     6999.6     6537.8    332.169   4.758   0.000   0.000  0.714169  0.144221  0.044024  1.000000
-    957   1      6  13   1    24     4.758   14835.523     5978.1     5583.7    283.692   4.758   0.000   0.000  0.714169  0.144221  0.044024  1.000000
-    958   1      7  11   6    24     4.758   14835.523     2331.9     2178.0    110.658   4.758   0.000   0.000  0.714169  0.144221  0.044024  1.000000
-    959   1      9  10   5    24     4.758   14835.523     3906.9     3649.1    185.400   4.758   0.000   0.000  0.714169  0.144221  0.044024  1.000000
-    960   1      9  11   2    24     4.758   14835.523       35.7       33.4      1.695   4.758   0.000   0.000  0.714169  0.144221  0.044024  1.000000
+    901   1     11   8   7    24     4.189   13919.658      614.1      580.2     66.948   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    902   1     12   9   3    24     4.189   13919.658      752.3      710.8     82.014   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    903   1     13   7   4    24     4.189   13919.658     1319.4     1246.6    143.837   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    904   1     13   8   1    24     4.189   13919.658      465.3      439.6     50.726   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    905   1     15   3   0    12     4.189   13919.658     1454.7     1374.4    158.583   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    906   1      6  14   0    12     4.225   13979.527      267.8      219.5    237.761   4.225   0.000   0.000  0.672962  0.153619  0.054038  1.000000
+    907   1     14   6   0    12     4.225   13979.527       50.9       41.7     45.141   4.225   0.000   0.000  0.672962  0.153619  0.054038  1.000000
+    908   1      2  15   1    24     4.262   14040.176     3442.8     3324.3    201.280   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
+    909   1      5  14   3    24     4.262   14040.176     2327.9     2247.7    136.098   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
+    910   1      6  13   5    24     4.262   14040.176     1589.3     1534.5     92.913   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
+    911   1      9  10   7    24     4.262   14040.176     4795.5     4630.4    280.364   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
+    912   1     10   9   7    24     4.262   14040.176       50.7       49.0      2.964   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
+    913   1     10  11   3    24     4.262   14040.176      725.1      700.2     42.395   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
+    914   1     11  10   3    24     4.262   14040.176     3329.9     3215.2    194.676   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
+    915   1     13   6   5    24     4.262   14040.176     7053.7     6810.8    412.383   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
+    916   1     14   5   3    24     4.262   14040.176     2396.8     2314.3    140.127   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
+    917   1     15   2   1    24     4.262   14040.176      767.4      741.0     44.866   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
+    918   1     10   8   8    24     4.299   14101.621     4049.3     3959.9    432.400   4.299   0.000   0.000  0.678840  0.152208  0.052420  1.000000
+    919   1     14   4   4    24     4.299   14101.621     6531.8     6387.6    697.493   4.299   0.000   0.000  0.678840  0.152208  0.052420  1.000000
+    920   1      1  15   0    12     4.337   14163.881        4.3        5.6      1.224   4.337   0.000   0.000  0.681837  0.151499  0.051622  1.000000
+    921   1      9   9   8    24     4.337   14163.881      737.4      956.8    210.168   4.337   0.000   0.000  0.681837  0.151499  0.051622  1.000000
+    922   1      9  12   1    24     4.337   14163.881      914.8     1186.9    260.728   4.337   0.000   0.000  0.681837  0.151499  0.051622  1.000000
+    923   1     12   9   1    24     4.337   14163.881     2310.9     2998.5    658.660   4.337   0.000   0.000  0.681837  0.151499  0.051622  1.000000
+    924   1     15   1   0    12     4.337   14163.881      193.8      251.5     55.243   4.337   0.000   0.000  0.681837  0.151499  0.051622  1.000000
+    925   1      8  12   4    24     4.376   14226.972       56.0        0.0    129.793   4.376   0.000   0.000  0.684874  0.150786  0.050830  1.000000
+    926   1     12   8   4    24     4.376   14226.972       57.4        0.0    132.948   4.376   0.000   0.000  0.684874  0.150786  0.050830  1.000000
+    927   1      5  14   1    24     4.415   14290.912     2247.7     2229.3    152.466   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
+    928   1      7  13   2    24     4.415   14290.912      117.4      116.5      7.967   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
+    929   1     10  11   1    24     4.415   14290.912    18005.5    17858.1   1221.336   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
+    930   1     11  10   1    24     4.415   14290.912     3428.0     3399.9    232.525   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
+    931   1     13   7   2    24     4.415   14290.912     3110.3     3084.9    210.976   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
+    932   1     14   5   1    24     4.415   14290.912      268.5      266.3     18.215   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
+    933   1      7  12   5    24     4.496   14421.427     1310.6     1137.0     95.132   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
+    934   1      7  13   0    12     4.496   14421.427        6.0        5.2      0.439   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
+    935   1      9  11   4    24     4.496   14421.427     3652.1     3168.4    265.093   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
+    936   1     11   9   4    24     4.496   14421.427     8021.1     6958.6    582.213   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
+    937   1     12   7   5    24     4.496   14421.427     5906.6     5124.3    428.735   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
+    938   1     13   7   0    12     4.496   14421.427      112.3       97.4      8.152   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
+    939   1      4  14   2    24     4.538   14488.038       62.5       70.5      8.138   4.538   0.000   0.000  0.697442  0.147901  0.047735  1.000000
+    940   1     10  10   4    24     4.538   14488.038     4929.6     5562.7    642.269   4.538   0.000   0.000  0.697442  0.147901  0.047735  1.000000
+    941   1     12   6   6    24     4.538   14488.038     1627.9     1836.9    212.093   4.538   0.000   0.000  0.697442  0.147901  0.047735  1.000000
+    942   1     14   4   2    24     4.538   14488.038     1311.2     1479.6    170.830   4.538   0.000   0.000  0.697442  0.147901  0.047735  1.000000
+    943   1      6  13   3    24     4.580   14555.582     1194.0      947.9    160.304   4.580   0.000   0.000  0.700693  0.147172  0.046978  1.000000
+    944   1     13   6   3    24     4.580   14555.582     1792.4     1423.0    240.648   4.580   0.000   0.000  0.700693  0.147172  0.046978  1.000000
+    945   1     14   3   3    24     4.580   14555.582     4604.5     3655.5    618.197   4.580   0.000   0.000  0.700693  0.147172  0.046978  1.000000
+    946   1      4  14   0    12     4.624   14624.079     6703.3     7175.0    761.146   4.624   0.000   0.000  0.703990  0.146439  0.046229  1.000000
+    947   1      8  12   2    24     4.624   14624.079      427.0      457.0     48.480   4.624   0.000   0.000  0.703990  0.146439  0.046229  1.000000
+    948   1     12   8   2    24     4.624   14624.079     2225.6     2382.2    252.709   4.624   0.000   0.000  0.703990  0.146439  0.046229  1.000000
+    949   1     14   4   0    12     4.624   14624.079      802.7      859.2     91.148   4.624   0.000   0.000  0.703990  0.146439  0.046229  1.000000
+    950   1      5  13   4    24     4.668   14693.553     2561.8     2070.8    623.166   4.668   0.000   0.000  0.707335  0.145703  0.045487  1.000000
+    951   1      8  11   5    24     4.668   14693.553      972.6      786.2    236.592   4.668   0.000   0.000  0.707335  0.145703  0.045487  1.000000
+    952   1     11   8   5    24     4.668   14693.553      175.1      141.6     42.603   4.668   0.000   0.000  0.707335  0.145703  0.045487  1.000000
+    953   1     13   5   4    24     4.668   14693.553      392.9      317.6     95.575   4.668   0.000   0.000  0.707335  0.145703  0.045487  1.000000
+    954   1      8  12   0    12     4.713   14764.026      703.6        0.0    527.084   4.713   0.000   0.000  0.710727  0.144963  0.044752  1.000000
+    955   1     12   8   0    12     4.713   14764.026      130.0        0.0     97.360   4.713   0.000   0.000  0.710727  0.144963  0.044752  1.000000
+    956   1      3  14   1    24     4.758   14835.523     7001.7     6540.5    332.261   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
+    957   1      6  13   1    24     4.758   14835.523     5980.1     5586.1    283.781   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
+    958   1      7  11   6    24     4.758   14835.523     2332.1     2178.5    110.667   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
+    959   1      9  10   5    24     4.758   14835.523     3908.5     3651.0    185.474   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
+    960   1      9  11   2    24     4.758   14835.523       35.7       33.4      1.696   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    961   1     10   9   5    24     4.758   14835.523     6646.0     6207.5    315.386   4.758   0.000   0.000  0.714169  0.144221  0.044024  1.000000
-    962   1     11   7   6    24     4.758   14835.523       90.3       84.4      4.286   4.758   0.000   0.000  0.714169  0.144221  0.044024  1.000000
-    963   1     11   9   2    24     4.758   14835.523     1210.1     1130.3     57.428   4.758   0.000   0.000  0.714169  0.144221  0.044024  1.000000
-    964   1     13   6   1    24     4.758   14835.523      745.2      696.1     35.365   4.758   0.000   0.000  0.714169  0.144221  0.044024  1.000000
-    965   1     14   3   1    24     4.758   14835.523     3045.8     2844.9    144.541   4.758   0.000   0.000  0.714169  0.144221  0.044024  1.000000
-    966   1     10  10   2    24     4.805   14908.069      378.5      383.1     41.088   4.805   0.000   0.000  0.717661  0.143474  0.043302  1.000000
-    967   1     14   2   2    24     4.805   14908.069     7926.8     8023.1    860.390   4.805   0.000   0.000  0.717661  0.143474  0.043302  1.000000
-    968   1      7  12   3    24     4.853   14981.688     3799.7     4181.6    369.246   4.853   0.000   0.000  0.721205  0.142724  0.042588  1.000000
-    969   1      9  11   0    12     4.853   14981.688     1768.6     1946.3    171.868   4.853   0.000   0.000  0.721205  0.142724  0.042588  1.000000
-    970   1     11   9   0    12     4.853   14981.688     1514.0     1666.1    147.123   4.853   0.000   0.000  0.721205  0.142724  0.042588  1.000000
-    971   1     12   7   3    24     4.853   14981.688     4002.6     4404.8    388.962   4.853   0.000   0.000  0.721205  0.142724  0.042588  1.000000
-    972   1      2  14   0    12     4.901   15056.413       19.3       16.9      1.470   4.901   0.000   0.000  0.724803  0.141969  0.041881  1.000000
-    973   1      8  10   6    24     4.901   15056.413      377.9      329.9     28.756   4.901   0.000   0.000  0.724803  0.141969  0.041881  1.000000
-    974   1     10   8   6    24     4.901   15056.413     7175.8     6264.6    546.046   4.901   0.000   0.000  0.724803  0.141969  0.041881  1.000000
-    975   1     10  10   0    12     4.901   15056.413        2.0        1.8      0.154   4.901   0.000   0.000  0.724803  0.141969  0.041881  1.000000
-    976   1     14   2   0    12     4.901   15056.413     6351.8     5545.2    483.344   4.901   0.000   0.000  0.724803  0.141969  0.041881  1.000000
-    977   1      5  13   2    24     4.951   15132.264     1608.3     2363.9     88.623   4.951   0.000   0.000  0.728454  0.141211  0.041181  1.000000
-    978   1      9   9   6    24     4.951   15132.264     8283.3    12174.9    456.442   4.951   0.000   0.000  0.728454  0.141211  0.041181  1.000000
-    979   1     10   7   7    24     4.951   15132.264     2599.8     3821.3    143.262   4.951   0.000   0.000  0.728454  0.141211  0.041181  1.000000
-    980   1     13   5   2    24     4.951   15132.264    10894.1    16012.3    600.307   4.951   0.000   0.000  0.728454  0.141211  0.041181  1.000000
-    981   1     14   1   1    24     4.951   15132.264      915.3     1345.3     50.436   4.951   0.000   0.000  0.728454  0.141211  0.041181  1.000000
-    982   1      6  12   4    24     5.001   15209.272     3986.1     5904.5    474.052   5.001   0.000   0.000  0.732161  0.140449  0.040488  1.000000
-    983   1     12   6   4    24     5.001   15209.272     2659.9     3940.1    316.332   5.001   0.000   0.000  0.732161  0.140449  0.040488  1.000000
-    984   1     14   0   0     6     5.001   15209.272      387.4      573.8     46.069   5.001   0.000   0.000  0.732161  0.140449  0.040488  1.000000
-    985   1      4  13   3    24     5.053   15287.470     1508.3     1627.9     43.769   5.053   0.000   0.000  0.735925  0.139683  0.039802  1.000000
-    986   1      5  13   0    12     5.053   15287.470     3619.1     3906.2    105.024   5.053   0.000   0.000  0.735925  0.139683  0.039802  1.000000
-    987   1      7  12   1    24     5.053   15287.470      905.7      977.5     26.282   5.053   0.000   0.000  0.735925  0.139683  0.039802  1.000000
-    988   1      8   9   7    24     5.053   15287.470     3219.5     3474.9     93.428   5.053   0.000   0.000  0.735925  0.139683  0.039802  1.000000
-    989   1      8  11   3    24     5.053   15287.470     5941.6     6412.8    172.420   5.053   0.000   0.000  0.735925  0.139683  0.039802  1.000000
-    990   1      9   8   7    24     5.053   15287.470     1709.2     1844.7     49.598   5.053   0.000   0.000  0.735925  0.139683  0.039802  1.000000
-    991   1     11   8   3    24     5.053   15287.470     3517.0     3795.9    102.060   5.053   0.000   0.000  0.735925  0.139683  0.039802  1.000000
-    992   1     12   5   5    24     5.053   15287.470    10894.0    11758.0    316.133   5.053   0.000   0.000  0.735925  0.139683  0.039802  1.000000
-    993   1     12   7   1    24     5.053   15287.470    16414.7    17716.5    476.339   5.053   0.000   0.000  0.735925  0.139683  0.039802  1.000000
-    994   1     13   4   3    24     5.053   15287.470     4711.6     5085.2    136.725   5.053   0.000   0.000  0.735925  0.139683  0.039802  1.000000
-    995   1     13   5   0    12     5.053   15287.470        0.0        0.1      0.001   5.053   0.000   0.000  0.735925  0.139683  0.039802  1.000000
-    996   1      8   8   8     8     5.105   15366.886    10356.7    11421.6    862.878   5.105   0.000   0.000  0.739748  0.138914  0.039124  1.000000
-    997   1      9  10   3    24     5.159   15447.554     5037.0     6748.5    948.157   5.159   0.000   0.000  0.743632  0.138140  0.038452  1.000000
-    998   1     10   9   3    24     5.159   15447.554     1312.6     1758.6    247.078   5.159   0.000   0.000  0.743632  0.138140  0.038452  1.000000
-    999   1      4  13   1    24     5.270   15612.772     4414.3     4770.1    216.582   5.270   0.000   0.000  0.751585  0.136580  0.037129  1.000000
-   1000   1      7  11   4    24     5.270   15612.772      516.5      558.2     25.343   5.270   0.000   0.000  0.751585  0.136580  0.037129  1.000000
-   1001   1      8  11   1    24     5.270   15612.772     7938.8     8578.6    389.505   5.270   0.000   0.000  0.751585  0.136580  0.037129  1.000000
-   1002   1     11   7   4    24     5.270   15612.772      671.0      725.1     32.923   5.270   0.000   0.000  0.751585  0.136580  0.037129  1.000000
-   1003   1     11   8   1    24     5.270   15612.772     2465.2     2663.9    120.951   5.270   0.000   0.000  0.751585  0.136580  0.037129  1.000000
-   1004   1     13   4   1    24     5.270   15612.772    10646.7    11504.7    522.363   5.270   0.000   0.000  0.751585  0.136580  0.037129  1.000000
-   1005   1      6  12   2    24     5.327   15697.394     6029.6     6935.8    489.862   5.327   0.000   0.000  0.755659  0.135793  0.036478  1.000000
-   1006   1     12   6   2    24     5.327   15697.394     4420.9     5085.3    359.164   5.327   0.000   0.000  0.755659  0.135793  0.036478  1.000000
-   1007   1      3  13   2    24     5.386   15783.408    13836.5    14101.2    300.388   5.386   0.000   0.000  0.759799  0.135003  0.035835  1.000000
-   1008   1      6  11   5    24     5.386   15783.408    35964.5    36652.5    780.785   5.386   0.000   0.000  0.759799  0.135003  0.035835  1.000000
-   1009   1      9  10   1    24     5.386   15783.408      429.4      437.6      9.322   5.386   0.000   0.000  0.759799  0.135003  0.035835  1.000000
-   1010   1     10   9   1    24     5.386   15783.408     1080.8     1101.5     23.464   5.386   0.000   0.000  0.759799  0.135003  0.035835  1.000000
-   1011   1     11   6   5    24     5.386   15783.408    10287.2    10484.0    223.334   5.386   0.000   0.000  0.759799  0.135003  0.035835  1.000000
-   1012   1     13   3   2    24     5.386   15783.408     5469.8     5574.5    118.749   5.386   0.000   0.000  0.759799  0.135003  0.035835  1.000000
-   1013   1      6  12   0    12     5.446   15870.852     2935.8     3331.2     69.812   5.446   0.000   0.000  0.764009  0.134208  0.035198  1.000000
-   1014   1      8  10   4    24     5.446   15870.852    20075.5    22779.5    477.387   5.446   0.000   0.000  0.764009  0.134208  0.035198  1.000000
-   1015   1     10   8   4    24     5.446   15870.852    21236.2    24096.6    504.990   5.446   0.000   0.000  0.764009  0.134208  0.035198  1.000000
-   1016   1     12   6   0    12     5.446   15870.852    12535.1    14223.4    298.079   5.446   0.000   0.000  0.764009  0.134208  0.035198  1.000000
-   1017   1      3  13   0    12     5.507   15959.765     4249.4     4711.5    178.976   5.507   0.000   0.000  0.768289  0.133409  0.034568  1.000000
-   1018   1      5  12   3    24     5.507   15959.765     1465.1     1624.4     61.708   5.507   0.000   0.000  0.768289  0.133409  0.034568  1.000000
-   1019   1      9   9   4    24     5.507   15959.765    10277.4    11394.9    432.862   5.507   0.000   0.000  0.768289  0.133409  0.034568  1.000000
-   1020   1     12   5   3    24     5.507   15959.765    10309.3    11430.3    434.205   5.507   0.000   0.000  0.768289  0.133409  0.034568  1.000000
+    961   1     10   9   5    24     4.758   14835.523     6647.1     6209.3    315.436   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
+    962   1     11   7   6    24     4.758   14835.523       90.3       84.3      4.283   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
+    963   1     11   9   2    24     4.758   14835.523     1210.1     1130.4     57.423   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
+    964   1     13   6   1    24     4.758   14835.523      745.5      696.3     35.375   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
+    965   1     14   3   1    24     4.758   14835.523     3047.1     2846.4    144.600   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
+    966   1     10  10   2    24     4.805   14908.069      378.6      383.3     41.092   4.805   0.000   0.000  0.717661  0.143473  0.043302  1.000000
+    967   1     14   2   2    24     4.805   14908.069     7928.6     8027.2    860.621   4.805   0.000   0.000  0.717661  0.143473  0.043302  1.000000
+    968   1      7  12   3    24     4.853   14981.691     3800.8     4183.8    369.352   4.853   0.000   0.000  0.721206  0.142722  0.042588  1.000000
+    969   1      9  11   0    12     4.853   14981.691     1769.0     1947.2    171.902   4.853   0.000   0.000  0.721206  0.142722  0.042588  1.000000
+    970   1     11   9   0    12     4.853   14981.691     1514.2     1666.7    147.141   4.853   0.000   0.000  0.721206  0.142722  0.042588  1.000000
+    971   1     12   7   3    24     4.853   14981.691     4003.3     4406.6    389.022   4.853   0.000   0.000  0.721206  0.142722  0.042588  1.000000
+    972   1      2  14   0    12     4.901   15056.410       19.3       16.9      1.471   4.901   0.000   0.000  0.724802  0.141968  0.041881  1.000000
+    973   1      8  10   6    24     4.901   15056.410      377.9      330.0     28.758   4.901   0.000   0.000  0.724802  0.141968  0.041881  1.000000
+    974   1     10   8   6    24     4.901   15056.410     7177.7     6267.7    546.200   4.901   0.000   0.000  0.724802  0.141968  0.041881  1.000000
+    975   1     10  10   0    12     4.901   15056.410        2.0        1.8      0.154   4.901   0.000   0.000  0.724802  0.141968  0.041881  1.000000
+    976   1     14   2   0    12     4.901   15056.410     6353.1     5547.6    483.451   4.901   0.000   0.000  0.724802  0.141968  0.041881  1.000000
+    977   1      5  13   2    24     4.951   15132.264     1608.8     2365.0     88.657   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
+    978   1      9   9   6    24     4.951   15132.264     8285.1    12179.6    456.579   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
+    979   1     10   7   7    24     4.951   15132.264     2599.9     3822.0    143.276   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
+    980   1     13   5   2    24     4.951   15132.264    10895.9    16017.6    600.456   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
+    981   1     14   1   1    24     4.951   15132.264      915.5     1345.8     50.452   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
+    982   1      6  12   4    24     5.001   15209.272     3987.0     5907.2    474.184   5.001   0.000   0.000  0.732161  0.140448  0.040488  1.000000
+    983   1     12   6   4    24     5.001   15209.272     2660.4     3941.6    316.404   5.001   0.000   0.000  0.732161  0.140448  0.040488  1.000000
+    984   1     14   0   0     6     5.001   15209.272      387.4      574.0     46.080   5.001   0.000   0.000  0.732161  0.140448  0.040488  1.000000
+    985   1      4  13   3    24     5.053   15287.470     1508.3     1628.1     43.771   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    986   1      5  13   0    12     5.053   15287.470     3620.7     3908.1    105.069   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    987   1      7  12   1    24     5.053   15287.470      905.8      977.6     26.284   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    988   1      8   9   7    24     5.053   15287.470     3220.5     3476.1     93.455   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    989   1      8  11   3    24     5.053   15287.470     5943.4     6415.2    172.472   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    990   1      9   8   7    24     5.053   15287.470     1709.8     1845.6     49.618   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    991   1     11   8   3    24     5.053   15287.470     3517.8     3797.0    102.083   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    992   1     12   5   5    24     5.053   15287.470    10896.3    11761.3    316.202   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    993   1     12   7   1    24     5.053   15287.470    16418.9    17722.3    476.464   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    994   1     13   4   3    24     5.053   15287.470     4712.6     5086.7    136.755   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    995   1     13   5   0    12     5.053   15287.470        0.0        0.0      0.001   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    996   1      8   8   8     8     5.105   15366.886    10358.8    11426.6    863.082   5.105   0.000   0.000  0.739748  0.138912  0.039124  1.000000
+    997   1      9  10   3    24     5.159   15447.552     5037.8     6753.3    948.335   5.159   0.000   0.000  0.743632  0.138138  0.038452  1.000000
+    998   1     10   9   3    24     5.159   15447.552     1313.1     1760.3    247.189   5.159   0.000   0.000  0.743632  0.138138  0.038452  1.000000
+    999   1      4  13   1    24     5.270   15612.771     4414.7     4771.3    216.607   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
+   1000   1      7  11   4    24     5.270   15612.771      516.7      558.4     25.350   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
+   1001   1      8  11   1    24     5.270   15612.771     7941.4     8582.9    389.646   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
+   1002   1     11   7   4    24     5.270   15612.771      671.2      725.4     32.933   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
+   1003   1     11   8   1    24     5.270   15612.771     2466.1     2665.3    120.999   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
+   1004   1     13   4   1    24     5.270   15612.771    10648.6    11508.7    522.470   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
+   1005   1      6  12   2    24     5.327   15697.394     6031.1     6939.4    490.029   5.327   0.000   0.000  0.755659  0.135792  0.036478  1.000000
+   1006   1     12   6   2    24     5.327   15697.394     4421.0     5086.8    359.207   5.327   0.000   0.000  0.755659  0.135792  0.036478  1.000000
+   1007   1      3  13   2    24     5.386   15783.408    13839.8    14105.6    300.465   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
+   1008   1      6  11   5    24     5.386   15783.408    35972.5    36663.3    780.968   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
+   1009   1      9  10   1    24     5.386   15783.408      429.3      437.5      9.319   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
+   1010   1     10   9   1    24     5.386   15783.408     1081.6     1102.3     23.481   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
+   1011   1     11   6   5    24     5.386   15783.408    10289.5    10487.1    223.387   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
+   1012   1     13   3   2    24     5.386   15783.408     5471.2     5576.3    118.781   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
+   1013   1      6  12   0    12     5.446   15870.851     2936.9     3332.7     69.839   5.446   0.000   0.000  0.764009  0.134207  0.035198  1.000000
+   1014   1      8  10   4    24     5.446   15870.851    20079.8    22786.1    477.500   5.446   0.000   0.000  0.764009  0.134207  0.035198  1.000000
+   1015   1     10   8   4    24     5.446   15870.851    21240.0    24102.6    505.090   5.446   0.000   0.000  0.764009  0.134207  0.035198  1.000000
+   1016   1     12   6   0    12     5.446   15870.851    12539.0    14229.0    298.180   5.446   0.000   0.000  0.764009  0.134207  0.035198  1.000000
+   1017   1      3  13   0    12     5.507   15959.764     4250.3     4713.5    179.030   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
+   1018   1      5  12   3    24     5.507   15959.764     1465.1     1624.7     61.711   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
+   1019   1      9   9   4    24     5.507   15959.764    10279.2    11399.4    432.974   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
+   1020   1     12   5   3    24     5.507   15959.764    10310.6    11434.3    434.299   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-   1021   1     13   3   0    12     5.507   15959.765       48.6       53.9      2.046   5.507   0.000   0.000  0.768289  0.133409  0.034568  1.000000
-   1022   1     12   4   4    24     5.569   16050.188     1841.5     3399.8    456.969   5.569   0.000   0.000  0.772642  0.132605  0.033946  1.000000
-   1023   1      2  13   1    24     5.633   16142.168    10614.1    11394.0    275.614   5.633   0.000   0.000  0.777070  0.131796  0.033330  1.000000
-   1024   1      7  10   5    24     5.633   16142.168     6288.9     6751.1    163.304   5.633   0.000   0.000  0.777070  0.131796  0.033330  1.000000
-   1025   1      7  11   2    24     5.633   16142.168    11533.8    12381.3    299.496   5.633   0.000   0.000  0.777070  0.131796  0.033330  1.000000
-   1026   1     10   7   5    24     5.633   16142.168    13003.3    13958.9    337.655   5.633   0.000   0.000  0.777070  0.131796  0.033330  1.000000
-   1027   1     11   7   2    24     5.633   16142.168     8890.2     9543.5    230.851   5.633   0.000   0.000  0.777070  0.131796  0.033330  1.000000
-   1028   1     13   2   1    24     5.633   16142.168     8707.5     9347.4    226.107   5.633   0.000   0.000  0.777070  0.131796  0.033330  1.000000
-   1029   1     10   6   6    24     5.699   16235.747     1696.8     2565.3    315.302   5.699   0.000   0.000  0.781575  0.130983  0.032721  1.000000
-   1030   1      1  13   0    12     5.766   16330.971        2.2        2.4      0.073   5.766   0.000   0.000  0.786159  0.130165  0.032120  1.000000
-   1031   1      5  12   1    24     5.766   16330.971     2933.6     3153.5     95.390   5.766   0.000   0.000  0.786159  0.130165  0.032120  1.000000
-   1032   1      7  11   0    12     5.766   16330.971     5471.7     5881.9    177.919   5.766   0.000   0.000  0.786159  0.130165  0.032120  1.000000
-   1033   1      8   9   5    24     5.766   16330.971     6802.1     7311.9    221.176   5.766   0.000   0.000  0.786159  0.130165  0.032120  1.000000
-   1034   1      9   8   5    24     5.766   16330.971     6480.3     6966.0    210.714   5.766   0.000   0.000  0.786159  0.130165  0.032120  1.000000
-   1035   1     11   7   0    12     5.766   16330.971     3744.5     4025.2    121.757   5.766   0.000   0.000  0.786159  0.130165  0.032120  1.000000
-   1036   1     12   5   1    24     5.766   16330.971    12734.5    13689.0    414.076   5.766   0.000   0.000  0.786159  0.130165  0.032120  1.000000
-   1037   1     13   1   0    12     5.766   16330.971        6.7        7.2      0.217   5.766   0.000   0.000  0.786159  0.130165  0.032120  1.000000
-   1038   1      8  10   2    24     5.835   16427.893     5173.0     6172.4    357.292   5.835   0.000   0.000  0.790824  0.129343  0.031525  1.000000
-   1039   1     10   8   2    24     5.835   16427.893     6916.1     8252.3    477.685   5.835   0.000   0.000  0.790824  0.129343  0.031525  1.000000
-   1040   1      6  11   3    24     5.905   16526.559     1178.6     1289.3     68.270   5.905   0.000   0.000  0.795574  0.128515  0.030938  1.000000
-   1041   1      7   9   6    24     5.905   16526.559      911.4      997.0     52.793   5.905   0.000   0.000  0.795574  0.128515  0.030938  1.000000
-   1042   1      9   7   6    24     5.905   16526.559     6535.7     7149.3    378.578   5.905   0.000   0.000  0.795574  0.128515  0.030938  1.000000
-   1043   1      9   9   2    24     5.905   16526.559     3331.7     3644.5    192.986   5.905   0.000   0.000  0.795574  0.128515  0.030938  1.000000
-   1044   1     11   6   3    24     5.905   16526.559     4040.0     4419.4    234.019   5.905   0.000   0.000  0.795574  0.128515  0.030938  1.000000
-   1045   1      4  12   2    24     5.977   16627.025    23956.4    23244.1    634.964   5.977   0.000   0.000  0.800410  0.127682  0.030358  1.000000
-   1046   1      8   8   6    24     5.977   16627.025     3546.0     3440.6     93.986   5.977   0.000   0.000  0.800410  0.127682  0.030358  1.000000
-   1047   1      8  10   0    12     5.977   16627.025     1101.5     1068.7     29.194   5.977   0.000   0.000  0.800410  0.127682  0.030358  1.000000
-   1048   1     10   8   0    12     5.977   16627.025     8272.7     8026.8    219.269   5.977   0.000   0.000  0.800410  0.127682  0.030358  1.000000
-   1049   1     12   4   2    24     5.977   16627.025     7116.8     6905.2    188.630   5.977   0.000   0.000  0.800410  0.127682  0.030358  1.000000
-   1050   1      5  11   4    24     6.051   16729.346    12884.1    14552.2    561.493   6.051   0.000   0.000  0.805336  0.126845  0.029784  1.000000
-   1051   1      8   7   7    24     6.051   16729.346      656.5      741.4     28.609   6.051   0.000   0.000  0.805336  0.126845  0.029784  1.000000
-   1052   1      9   9   0    12     6.051   16729.346      207.1      233.9      9.024   6.051   0.000   0.000  0.805336  0.126845  0.029784  1.000000
-   1053   1     11   5   4    24     6.051   16729.346     2046.3     2311.2     89.178   6.051   0.000   0.000  0.805336  0.126845  0.029784  1.000000
-   1054   1     12   3   3    24     6.051   16729.346     5722.8     6463.7    249.401   6.051   0.000   0.000  0.805336  0.126845  0.029784  1.000000
-   1055   1      4  12   0    12     6.126   16833.580     4804.6     4825.8    327.691   6.126   0.000   0.000  0.810354  0.126002  0.029218  1.000000
-   1056   1     12   4   0    12     6.126   16833.580     7025.0     7056.1    479.130   6.126   0.000   0.000  0.810354  0.126002  0.029218  1.000000
-   1057   1      6  11   1    24     6.204   16939.787    29419.1    28909.3   1026.621   6.204   0.000   0.000  0.815467  0.125154  0.028659  1.000000
-   1058   1      7  10   3    24     6.204   16939.787     2156.7     2119.3     75.259   6.204   0.000   0.000  0.815467  0.125154  0.028659  1.000000
-   1059   1     10   7   3    24     6.204   16939.787     4862.5     4778.2    169.683   6.204   0.000   0.000  0.815467  0.125154  0.028659  1.000000
-   1060   1     11   6   1    24     6.204   16939.787     2644.1     2598.3     92.271   6.204   0.000   0.000  0.815467  0.125154  0.028659  1.000000
-   1061   1      3  12   1    24     6.365   17158.373      130.0      114.4      8.468   6.365   0.000   0.000  0.825989  0.123441  0.027561  1.000000
-   1062   1      8   9   3    24     6.365   17158.373      301.7      265.7     19.662   6.365   0.000   0.000  0.825989  0.123441  0.027561  1.000000
-   1063   1      9   8   3    24     6.365   17158.373     3779.8     3328.0    246.298   6.365   0.000   0.000  0.825989  0.123441  0.027561  1.000000
-   1064   1     12   3   1    24     6.365   17158.373    10290.1     9060.1    670.509   6.365   0.000   0.000  0.825989  0.123441  0.027561  1.000000
-   1065   1      6  10   4    24     6.449   17270.889     3212.3     2369.2    186.351   6.449   0.000   0.000  0.831406  0.122577  0.027023  1.000000
-   1066   1     10   6   4    24     6.449   17270.889     8279.6     6106.5    480.320   6.449   0.000   0.000  0.831406  0.122577  0.027023  1.000000
-   1067   1     12   2   2    24     6.449   17270.889     2303.6     1699.0    133.638   6.449   0.000   0.000  0.831406  0.122577  0.027023  1.000000
-   1068   1      5  11   2    24     6.535   17385.646     8488.8     9019.3    166.856   6.535   0.000   0.000  0.836930  0.121706  0.026492  1.000000
-   1069   1      7  10   1    24     6.535   17385.646    20701.5    21995.1    406.909   6.535   0.000   0.000  0.836930  0.121706  0.026492  1.000000
-   1070   1     10   5   5    24     6.535   17385.646    12306.6    13075.6    241.897   6.535   0.000   0.000  0.836930  0.121706  0.026492  1.000000
-   1071   1     10   7   1    24     6.535   17385.646    23422.6    24886.2    460.393   6.535   0.000   0.000  0.836930  0.121706  0.026492  1.000000
-   1072   1     11   5   2    24     6.535   17385.646      892.8      948.6     17.550   6.535   0.000   0.000  0.836930  0.121706  0.026492  1.000000
-   1073   1      2  12   0    12     6.623   17502.725     2267.8     3200.2    273.496   6.623   0.000   0.000  0.842566  0.120830  0.025968  1.000000
-   1074   1     12   2   0    12     6.623   17502.725     1157.9     1633.9    139.636   6.623   0.000   0.000  0.842566  0.120830  0.025968  1.000000
-   1075   1      4  11   3    24     6.714   17622.197     1846.1     1908.3     77.328   6.714   0.000   0.000  0.848317  0.119948  0.025450  1.000000
-   1076   1      5  11   0    12     6.714   17622.197     2868.9     2965.4    120.168   6.714   0.000   0.000  0.848317  0.119948  0.025450  1.000000
-   1077   1      7   9   4    24     6.714   17622.197     6705.8     6931.5    280.885   6.714   0.000   0.000  0.848317  0.119948  0.025450  1.000000
-   1078   1      8   9   1    24     6.714   17622.197     1453.4     1502.3     60.877   6.714   0.000   0.000  0.848317  0.119948  0.025450  1.000000
-   1079   1      9   7   4    24     6.714   17622.197     1122.8     1160.6     47.033   6.714   0.000   0.000  0.848317  0.119948  0.025450  1.000000
-   1080   1      9   8   1    24     6.714   17622.197     2636.6     2725.3    110.438   6.714   0.000   0.000  0.848317  0.119948  0.025450  1.000000
+   1021   1     13   3   0    12     5.507   15959.764       48.6       53.9      2.046   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
+   1022   1     12   4   4    24     5.569   16050.188     1842.1     3402.3    457.118   5.569   0.000   0.000  0.772642  0.132603  0.033946  1.000000
+   1023   1      2  13   1    24     5.633   16142.168    10615.9    11397.7    275.677   5.633   0.000   0.000  0.777070  0.131795  0.033330  1.000000
+   1024   1      7  10   5    24     5.633   16142.168     6289.8     6753.0    163.335   5.633   0.000   0.000  0.777070  0.131795  0.033330  1.000000
+   1025   1      7  11   2    24     5.633   16142.168    11535.6    12385.2    299.561   5.633   0.000   0.000  0.777070  0.131795  0.033330  1.000000
+   1026   1     10   7   5    24     5.633   16142.168    13005.4    13963.2    337.729   5.633   0.000   0.000  0.777070  0.131795  0.033330  1.000000
+   1027   1     11   7   2    24     5.633   16142.168     8892.2     9547.1    230.915   5.633   0.000   0.000  0.777070  0.131795  0.033330  1.000000
+   1028   1     13   2   1    24     5.633   16142.168     8710.0     9351.5    226.184   5.633   0.000   0.000  0.777070  0.131795  0.033330  1.000000
+   1029   1     10   6   6    24     5.699   16235.745     1697.4     2567.0    315.400   5.699   0.000   0.000  0.781575  0.130982  0.032721  1.000000
+   1030   1      1  13   0    12     5.766   16330.971        2.2        2.4      0.073   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
+   1031   1      5  12   1    24     5.766   16330.971     2933.6     3154.1     95.397   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
+   1032   1      7  11   0    12     5.766   16330.971     5472.2     5883.4    177.947   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
+   1033   1      8   9   5    24     5.766   16330.971     6803.4     7314.7    221.235   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
+   1034   1      9   8   5    24     5.766   16330.971     6482.3     6969.4    210.792   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
+   1035   1     11   7   0    12     5.766   16330.971     3745.0     4026.4    121.782   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
+   1036   1     12   5   1    24     5.766   16330.971    12736.9    13694.1    414.183   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
+   1037   1     13   1   0    12     5.766   16330.971        6.7        7.2      0.217   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
+   1038   1      8  10   2    24     5.835   16427.893     5173.9     6175.0    357.367   5.835   0.000   0.000  0.790824  0.129341  0.031525  1.000000
+   1039   1     10   8   2    24     5.835   16427.893     6917.8     8256.2    477.819   5.835   0.000   0.000  0.790824  0.129341  0.031525  1.000000
+   1040   1      6  11   3    24     5.905   16526.559     1178.7     1289.6     68.276   5.905   0.000   0.000  0.795574  0.128514  0.030938  1.000000
+   1041   1      7   9   6    24     5.905   16526.559      911.7      997.5     52.811   5.905   0.000   0.000  0.795574  0.128514  0.030938  1.000000
+   1042   1      9   7   6    24     5.905   16526.559     6538.0     7153.1    378.706   5.905   0.000   0.000  0.795574  0.128514  0.030938  1.000000
+   1043   1      9   9   2    24     5.905   16526.559     3332.0     3645.5    193.004   5.905   0.000   0.000  0.795574  0.128514  0.030938  1.000000
+   1044   1     11   6   3    24     5.905   16526.559     4041.3     4421.5    234.090   5.905   0.000   0.000  0.795574  0.128514  0.030938  1.000000
+   1045   1      4  12   2    24     5.977   16627.025    23961.4    23252.7    635.143   5.977   0.000   0.000  0.800411  0.127681  0.030358  1.000000
+   1046   1      8   8   6    24     5.977   16627.025     3546.9     3442.0     94.018   5.977   0.000   0.000  0.800411  0.127681  0.030358  1.000000
+   1047   1      8  10   0    12     5.977   16627.025     1101.8     1069.2     29.204   5.977   0.000   0.000  0.800411  0.127681  0.030358  1.000000
+   1048   1     10   8   0    12     5.977   16627.025     8273.1     8028.4    219.295   5.977   0.000   0.000  0.800411  0.127681  0.030358  1.000000
+   1049   1     12   4   2    24     5.977   16627.025     7117.8     6907.3    188.672   5.977   0.000   0.000  0.800411  0.127681  0.030358  1.000000
+   1050   1      5  11   4    24     6.051   16729.346    12887.2    14558.5    561.660   6.051   0.000   0.000  0.805336  0.126844  0.029784  1.000000
+   1051   1      8   7   7    24     6.051   16729.346      656.3      741.4     28.602   6.051   0.000   0.000  0.805336  0.126844  0.029784  1.000000
+   1052   1      9   9   0    12     6.051   16729.346      207.0      233.9      9.024   6.051   0.000   0.000  0.805336  0.126844  0.029784  1.000000
+   1053   1     11   5   4    24     6.051   16729.346     2046.4     2311.7     89.186   6.051   0.000   0.000  0.805336  0.126844  0.029784  1.000000
+   1054   1     12   3   3    24     6.051   16729.346     5724.2     6466.5    249.475   6.051   0.000   0.000  0.805336  0.126844  0.029784  1.000000
+   1055   1      4  12   0    12     6.126   16833.580     4805.0     4828.1    327.771   6.126   0.000   0.000  0.810354  0.126001  0.029218  1.000000
+   1056   1     12   4   0    12     6.126   16833.580     7025.5     7059.3    479.242   6.126   0.000   0.000  0.810354  0.126001  0.029218  1.000000
+   1057   1      6  11   1    24     6.204   16939.787    29423.2    28921.1   1026.880   6.204   0.000   0.000  0.815467  0.125153  0.028659  1.000000
+   1058   1      7  10   3    24     6.204   16939.787     2156.5     2119.7     75.264   6.204   0.000   0.000  0.815467  0.125153  0.028659  1.000000
+   1059   1     10   7   3    24     6.204   16939.787     4863.4     4780.4    169.735   6.204   0.000   0.000  0.815467  0.125153  0.028659  1.000000
+   1060   1     11   6   1    24     6.204   16939.787     2644.7     2599.5     92.300   6.204   0.000   0.000  0.815467  0.125153  0.028659  1.000000
+   1061   1      3  12   1    24     6.365   17158.373      130.0      114.5      8.473   6.365   0.000   0.000  0.825989  0.123440  0.027561  1.000000
+   1062   1      8   9   3    24     6.365   17158.373      301.7      265.7     19.659   6.365   0.000   0.000  0.825989  0.123440  0.027561  1.000000
+   1063   1      9   8   3    24     6.365   17158.373     3780.5     3329.6    246.345   6.365   0.000   0.000  0.825989  0.123440  0.027561  1.000000
+   1064   1     12   3   1    24     6.365   17158.373    10293.0     9065.2    670.705   6.365   0.000   0.000  0.825989  0.123440  0.027561  1.000000
+   1065   1      6  10   4    24     6.449   17270.889     3212.9     2370.5    186.410   6.449   0.000   0.000  0.831405  0.122575  0.027023  1.000000
+   1066   1     10   6   4    24     6.449   17270.889     8280.4     6109.4    480.426   6.449   0.000   0.000  0.831405  0.122575  0.027023  1.000000
+   1067   1     12   2   2    24     6.449   17270.889     2303.8     1699.8    133.666   6.449   0.000   0.000  0.831405  0.122575  0.027023  1.000000
+   1068   1      5  11   2    24     6.535   17385.646     8489.8     9021.8    166.892   6.535   0.000   0.000  0.836930  0.121705  0.026492  1.000000
+   1069   1      7  10   1    24     6.535   17385.646    20705.0    22002.3    407.016   6.535   0.000   0.000  0.836930  0.121705  0.026492  1.000000
+   1070   1     10   5   5    24     6.535   17385.646    12308.5    13079.7    241.959   6.535   0.000   0.000  0.836930  0.121705  0.026492  1.000000
+   1071   1     10   7   1    24     6.535   17385.646    23426.1    24893.9    460.507   6.535   0.000   0.000  0.836930  0.121705  0.026492  1.000000
+   1072   1     11   5   2    24     6.535   17385.646      893.1      949.1     17.557   6.535   0.000   0.000  0.836930  0.121705  0.026492  1.000000
+   1073   1      2  12   0    12     6.623   17502.723     2268.3     3202.0    273.569   6.623   0.000   0.000  0.842566  0.120829  0.025968  1.000000
+   1074   1     12   2   0    12     6.623   17502.723     1158.0     1634.7    139.662   6.623   0.000   0.000  0.842566  0.120829  0.025968  1.000000
+   1075   1      4  11   3    24     6.714   17622.197     1846.1     1908.6     77.331   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
+   1076   1      5  11   0    12     6.714   17622.197     2868.9     2966.0    120.178   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
+   1077   1      7   9   4    24     6.714   17622.197     6707.8     6934.8    280.984   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
+   1078   1      8   9   1    24     6.714   17622.197     1454.3     1503.6     60.922   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
+   1079   1      9   7   4    24     6.714   17622.197     1123.1     1161.1     47.044   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
+   1080   1      9   8   1    24     6.714   17622.197     2637.0     2726.2    110.461   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-   1081   1     11   4   3    24     6.714   17622.197      898.7      928.9     37.643   6.714   0.000   0.000  0.848317  0.119948  0.025450  1.000000
-   1082   1     11   5   0    12     6.714   17622.197      214.3      221.5      8.975   6.714   0.000   0.000  0.848317  0.119948  0.025450  1.000000
-   1083   1     12   1   1    24     6.714   17622.197     3585.7     3706.4    150.194   6.714   0.000   0.000  0.848317  0.119948  0.025450  1.000000
-   1084   1      8   8   4    24     6.807   17744.150    82109.8    88214.7   1212.071   6.807   0.000   0.000  0.854188  0.119060  0.024940  1.000000
-   1085   1     12   0   0     6     6.807   17744.150     7597.7     8162.6    112.154   6.807   0.000   0.000  0.854188  0.119060  0.024940  1.000000
-   1086   1      6   9   5    24     6.903   17868.672      132.9      284.8      9.412   6.903   0.000   0.000  0.860182  0.118166  0.024437  1.000000
-   1087   1      9   6   5    24     6.903   17868.672     8411.3    18020.2    595.590   6.903   0.000   0.000  0.860182  0.118166  0.024437  1.000000
-   1088   1      6  10   2    24     7.002   17995.855     6451.0    10262.0    435.323   7.002   0.000   0.000  0.866305  0.117265  0.023941  1.000000
-   1089   1     10   6   2    24     7.002   17995.855     5831.1     9275.9    393.494   7.002   0.000   0.000  0.866305  0.117265  0.023941  1.000000
-   1090   1      4  11   1    24     7.103   18125.789     4371.5     5789.6    197.973   7.103   0.000   0.000  0.872560  0.116358  0.023452  1.000000
-   1091   1      7   8   5    24     7.103   18125.789     6647.6     8804.2    301.054   7.103   0.000   0.000  0.872560  0.116358  0.023452  1.000000
-   1092   1      8   7   5    24     7.103   18125.789     6453.0     8546.4    292.239   7.103   0.000   0.000  0.872560  0.116358  0.023452  1.000000
-   1093   1     11   4   1    24     7.103   18125.789     2136.8     2830.0     96.770   7.103   0.000   0.000  0.872560  0.116358  0.023452  1.000000
-   1094   1      6  10   0    12     7.207   18258.582      730.1      873.7     34.932   7.207   0.000   0.000  0.878952  0.115444  0.022971  1.000000
-   1095   1      8   6   6    24     7.207   18258.582    11128.3    13316.7    532.448   7.207   0.000   0.000  0.878952  0.115444  0.022971  1.000000
-   1096   1     10   6   0    12     7.207   18258.582     4649.3     5563.6    222.454   7.207   0.000   0.000  0.878952  0.115444  0.022971  1.000000
-   1097   1      3  11   2    24     7.315   18394.334     1489.1     1510.2     33.797   7.315   0.000   0.000  0.885487  0.114524  0.022496  1.000000
-   1098   1      5  10   3    24     7.315   18394.334     6135.9     6222.7    139.261   7.315   0.000   0.000  0.885487  0.114524  0.022496  1.000000
-   1099   1      7   7   6    24     7.315   18394.334     5572.9     5651.7    126.482   7.315   0.000   0.000  0.885487  0.114524  0.022496  1.000000
-   1100   1      7   9   2    24     7.315   18394.334    23362.1    23692.5    530.229   7.315   0.000   0.000  0.885487  0.114524  0.022496  1.000000
-   1101   1      9   7   2    24     7.315   18394.334      171.4      173.8      3.889   7.315   0.000   0.000  0.885487  0.114524  0.022496  1.000000
-   1102   1     10   5   3    24     7.315   18394.334     4240.0     4299.9     96.231   7.315   0.000   0.000  0.885487  0.114524  0.022496  1.000000
-   1103   1     11   3   2    24     7.315   18394.334     3484.5     3533.8     79.084   7.315   0.000   0.000  0.885487  0.114524  0.022496  1.000000
-   1104   1      8   8   2    24     7.426   18533.162     4991.8     5295.7    361.260   7.426   0.000   0.000  0.892170  0.113596  0.022028  1.000000
-   1105   1     10   4   4    24     7.426   18533.162     3468.7     3679.9    251.032   7.426   0.000   0.000  0.892170  0.113596  0.022028  1.000000
-   1106   1      3  11   0    12     7.540   18675.182     1223.2      941.6     66.458   7.540   0.000   0.000  0.899007  0.112662  0.021567  1.000000
-   1107   1      7   9   0    12     7.540   18675.182     8058.5     6203.3    437.827   7.540   0.000   0.000  0.899007  0.112662  0.021567  1.000000
-   1108   1      9   7   0    12     7.540   18675.182     3945.0     3036.8    214.335   7.540   0.000   0.000  0.899007  0.112662  0.021567  1.000000
-   1109   1     11   3   0    12     7.540   18675.182     2318.5     1784.7    125.964   7.540   0.000   0.000  0.899007  0.112662  0.021567  1.000000
-   1110   1      8   8   0    12     7.658   18820.516     1013.9     1007.3    354.463   7.658   0.000   0.000  0.906003  0.111720  0.021113  1.000000
-   1111   1      2  11   1    24     7.779   18969.295    40513.9    41801.2    555.886   7.779   0.000   0.000  0.913165  0.110771  0.020667  1.000000
-   1112   1      5  10   1    24     7.779   18969.295     4946.2     5103.4     67.866   7.779   0.000   0.000  0.913165  0.110771  0.020667  1.000000
-   1113   1      6   9   3    24     7.779   18969.295     9409.1     9708.1    129.102   7.779   0.000   0.000  0.913165  0.110771  0.020667  1.000000
-   1114   1      9   6   3    24     7.779   18969.295    14925.7    15400.0    204.794   7.779   0.000   0.000  0.913165  0.110771  0.020667  1.000000
-   1115   1     10   5   1    24     7.779   18969.295    29704.4    30648.3    407.571   7.779   0.000   0.000  0.913165  0.110771  0.020667  1.000000
-   1116   1     11   2   1    24     7.779   18969.295     3860.8     3983.4     52.973   7.779   0.000   0.000  0.913165  0.110771  0.020667  1.000000
-   1117   1      1  11   0    12     8.035   19277.760     8745.2     9050.5    165.035   8.035   0.000   0.000  0.928015  0.108850  0.019794  1.000000
-   1118   1      5   9   4    24     8.035   19277.760     4180.2     4326.1     78.886   8.035   0.000   0.000  0.928015  0.108850  0.019794  1.000000
-   1119   1      7   8   3    24     8.035   19277.760     2120.2     2194.2     40.012   8.035   0.000   0.000  0.928015  0.108850  0.019794  1.000000
-   1120   1      8   7   3    24     8.035   19277.760    12891.6    13341.6    243.282   8.035   0.000   0.000  0.928015  0.108850  0.019794  1.000000
-   1121   1      9   5   4    24     8.035   19277.760    20312.5    21021.6    383.326   8.035   0.000   0.000  0.928015  0.108850  0.019794  1.000000
-   1122   1     11   1   0    12     8.035   19277.760     4838.0     5006.9     91.301   8.035   0.000   0.000  0.928015  0.108850  0.019794  1.000000
-   1123   1      4  10   2    24     8.168   19437.744    21690.0    24520.5    668.394   8.168   0.000   0.000  0.935716  0.107878  0.019368  1.000000
-   1124   1     10   4   2    24     8.168   19437.744     2851.9     3224.1     87.883   8.168   0.000   0.000  0.935716  0.107878  0.019368  1.000000
-   1125   1      6   9   1    24     8.307   19601.777    24127.0    22777.8    383.064   8.307   0.000   0.000  0.943612  0.106898  0.018950  1.000000
-   1126   1      9   6   1    24     8.307   19601.777     8391.4     7922.1    133.230   8.307   0.000   0.000  0.943612  0.106898  0.018950  1.000000
-   1127   1     10   3   3    24     8.307   19601.777    26205.8    24740.4    416.069   8.307   0.000   0.000  0.943612  0.106898  0.018950  1.000000
-   1128   1      4  10   0    12     8.450   19770.035    12960.9    11983.1    158.566   8.450   0.000   0.000  0.951712  0.105909  0.018538  1.000000
-   1129   1      6   8   4    24     8.450   19770.035    13079.8    12093.1    160.021   8.450   0.000   0.000  0.951712  0.105909  0.018538  1.000000
-   1130   1      8   6   4    24     8.450   19770.035    23237.2    21484.2    284.289   8.450   0.000   0.000  0.951712  0.105909  0.018538  1.000000
-   1131   1     10   4   0    12     8.450   19770.035    30637.5    28326.3    374.827   8.450   0.000   0.000  0.951712  0.105909  0.018538  1.000000
-   1132   1      7   7   4    24     8.598   19942.705     4338.0     5197.1     66.112   8.598   0.000   0.000  0.960024  0.104912  0.018134  1.000000
-   1133   1      7   8   1    24     8.598   19942.705    32673.4    39144.2    497.953   8.598   0.000   0.000  0.960024  0.104912  0.018134  1.000000
-   1134   1      8   5   5    24     8.598   19942.705    16683.7    19987.8    254.264   8.598   0.000   0.000  0.960024  0.104912  0.018134  1.000000
-   1135   1      8   7   1    24     8.598   19942.705    27025.4    32377.6    411.876   8.598   0.000   0.000  0.960024  0.104912  0.018134  1.000000
-   1136   1      3  10   1    24     8.911   20302.061      218.2      221.5      3.104   8.911   0.000   0.000  0.977323  0.102891  0.017346  1.000000
-   1137   1      5   9   2    24     8.911   20302.061     3918.3     3976.8     55.741   8.911   0.000   0.000  0.977323  0.102891  0.017346  1.000000
-   1138   1      6   7   5    24     8.911   20302.061    27727.1    28141.0    394.442   8.911   0.000   0.000  0.977323  0.102891  0.017346  1.000000
-   1139   1      7   6   5    24     8.911   20302.061     2165.0     2197.4     30.800   8.911   0.000   0.000  0.977323  0.102891  0.017346  1.000000
-   1140   1      9   5   2    24     8.911   20302.061    10502.6    10659.4    149.408   8.911   0.000   0.000  0.977323  0.102891  0.017346  1.000000
+   1081   1     11   4   3    24     6.714   17622.197      899.0      929.4     37.658   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
+   1082   1     11   5   0    12     6.714   17622.197      214.1      221.4      8.970   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
+   1083   1     12   1   1    24     6.714   17622.197     3586.3     3707.7    150.227   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
+   1084   1      8   8   4    24     6.807   17744.152    82118.9    88241.3   1212.386   6.807   0.000   0.000  0.854188  0.119059  0.024940  1.000000
+   1085   1     12   0   0     6     6.807   17744.152     7597.4     8163.8    112.166   6.807   0.000   0.000  0.854188  0.119059  0.024940  1.000000
+   1086   1      6   9   5    24     6.903   17868.672      132.9      284.8      9.413   6.903   0.000   0.000  0.860182  0.118164  0.024437  1.000000
+   1087   1      9   6   5    24     6.903   17868.672     8412.0    18025.5    595.722   6.903   0.000   0.000  0.860182  0.118164  0.024437  1.000000
+   1088   1      6  10   2    24     7.002   17995.854     6452.1    10265.8    435.428   7.002   0.000   0.000  0.866305  0.117264  0.023941  1.000000
+   1089   1     10   6   2    24     7.002   17995.854     5832.4     9279.7    393.604   7.002   0.000   0.000  0.866305  0.117264  0.023941  1.000000
+   1090   1      4  11   1    24     7.103   18125.787     4371.8     5791.6    198.028   7.103   0.000   0.000  0.872560  0.116357  0.023452  1.000000
+   1091   1      7   8   5    24     7.103   18125.787     6647.6     8806.5    301.112   7.103   0.000   0.000  0.872560  0.116357  0.023452  1.000000
+   1092   1      8   7   5    24     7.103   18125.787     6453.5     8549.3    292.319   7.103   0.000   0.000  0.872560  0.116357  0.023452  1.000000
+   1093   1     11   4   1    24     7.103   18125.787     2137.1     2831.1     96.802   7.103   0.000   0.000  0.872560  0.116357  0.023452  1.000000
+   1094   1      6  10   0    12     7.207   18258.582      729.9      873.6     34.928   7.207   0.000   0.000  0.878952  0.115443  0.022971  1.000000
+   1095   1      8   6   6    24     7.207   18258.582    11129.9    13321.3    532.588   7.207   0.000   0.000  0.878952  0.115443  0.022971  1.000000
+   1096   1     10   6   0    12     7.207   18258.582     4650.3     5565.9    222.525   7.207   0.000   0.000  0.878952  0.115443  0.022971  1.000000
+   1097   1      3  11   2    24     7.315   18394.334     1489.3     1510.6     33.805   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
+   1098   1      5  10   3    24     7.315   18394.334     6136.9     6224.8    139.303   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
+   1099   1      7   7   6    24     7.315   18394.334     5574.1     5653.9    126.527   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
+   1100   1      7   9   2    24     7.315   18394.334    23362.8    23697.5    530.317   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
+   1101   1      9   7   2    24     7.315   18394.334      171.5      173.9      3.892   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
+   1102   1     10   5   3    24     7.315   18394.334     4241.0     4301.7     96.267   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
+   1103   1     11   3   2    24     7.315   18394.334     3485.4     3535.4     79.116   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
+   1104   1      8   8   2    24     7.426   18533.162     4992.5     5297.7    361.354   7.426   0.000   0.000  0.892170  0.113595  0.022028  1.000000
+   1105   1     10   4   4    24     7.426   18533.162     3469.2     3681.2    251.093   7.426   0.000   0.000  0.892170  0.113595  0.022028  1.000000
+   1106   1      3  11   0    12     7.540   18675.180     1223.9      942.4     66.507   7.540   0.000   0.000  0.899007  0.112661  0.021567  1.000000
+   1107   1      7   9   0    12     7.540   18675.180     8059.1     6205.5    437.922   7.540   0.000   0.000  0.899007  0.112661  0.021567  1.000000
+   1108   1      9   7   0    12     7.540   18675.180     3945.8     3038.2    214.411   7.540   0.000   0.000  0.899007  0.112661  0.021567  1.000000
+   1109   1     11   3   0    12     7.540   18675.180     2318.2     1785.0    125.971   7.540   0.000   0.000  0.899007  0.112661  0.021567  1.000000
+   1110   1      8   8   0    12     7.658   18820.516     1013.8     1008.0    354.519   7.658   0.000   0.000  0.906003  0.111719  0.021113  1.000000
+   1111   1      2  11   1    24     7.779   18969.295    40515.8    41812.1    556.012   7.779   0.000   0.000  0.913165  0.110770  0.020667  1.000000
+   1112   1      5  10   1    24     7.779   18969.295     4947.4     5105.7     67.895   7.779   0.000   0.000  0.913165  0.110770  0.020667  1.000000
+   1113   1      6   9   3    24     7.779   18969.295     9410.2     9711.3    129.139   7.779   0.000   0.000  0.913165  0.110770  0.020667  1.000000
+   1114   1      9   6   3    24     7.779   18969.295    14927.4    15405.0    204.854   7.779   0.000   0.000  0.913165  0.110770  0.020667  1.000000
+   1115   1     10   5   1    24     7.779   18969.295    29706.1    30656.5    407.667   7.779   0.000   0.000  0.913165  0.110770  0.020667  1.000000
+   1116   1     11   2   1    24     7.779   18969.295     3860.8     3984.3     52.983   7.779   0.000   0.000  0.913165  0.110770  0.020667  1.000000
+   1117   1      1  11   0    12     8.035   19277.760     8748.1     9055.0    165.108   8.035   0.000   0.000  0.928015  0.108849  0.019794  1.000000
+   1118   1      5   9   4    24     8.035   19277.760     4179.8     4326.4     78.887   8.035   0.000   0.000  0.928015  0.108849  0.019794  1.000000
+   1119   1      7   8   3    24     8.035   19277.760     2120.9     2195.3     40.028   8.035   0.000   0.000  0.928015  0.108849  0.019794  1.000000
+   1120   1      8   7   3    24     8.035   19277.760    12894.6    13346.9    243.367   8.035   0.000   0.000  0.928015  0.108849  0.019794  1.000000
+   1121   1      9   5   4    24     8.035   19277.760    20314.1    21026.6    383.399   8.035   0.000   0.000  0.928015  0.108849  0.019794  1.000000
+   1122   1     11   1   0    12     8.035   19277.760     4837.8     5007.5     91.307   8.035   0.000   0.000  0.928015  0.108849  0.019794  1.000000
+   1123   1      4  10   2    24     8.168   19437.744    21692.5    24528.3    668.555   8.168   0.000   0.000  0.935716  0.107877  0.019368  1.000000
+   1124   1     10   4   2    24     8.168   19437.744     2852.4     3225.3     87.912   8.168   0.000   0.000  0.935716  0.107877  0.019368  1.000000
+   1125   1      6   9   1    24     8.307   19601.777    24128.0    22784.3    383.153   8.307   0.000   0.000  0.943612  0.106897  0.018950  1.000000
+   1126   1      9   6   1    24     8.307   19601.777     8392.0     7924.6    133.264   8.307   0.000   0.000  0.943612  0.106897  0.018950  1.000000
+   1127   1     10   3   3    24     8.307   19601.777    26208.1    24748.4    416.183   8.307   0.000   0.000  0.943612  0.106897  0.018950  1.000000
+   1128   1      4  10   0    12     8.450   19770.037    12962.6    11987.1    158.613   8.450   0.000   0.000  0.951712  0.105908  0.018538  1.000000
+   1129   1      6   8   4    24     8.450   19770.037    13080.4    12096.0    160.053   8.450   0.000   0.000  0.951712  0.105908  0.018538  1.000000
+   1130   1      8   6   4    24     8.450   19770.037    23239.8    21491.0    284.366   8.450   0.000   0.000  0.951712  0.105908  0.018538  1.000000
+   1131   1     10   4   0    12     8.450   19770.037    30639.7    28334.0    374.913   8.450   0.000   0.000  0.951712  0.105908  0.018538  1.000000
+   1132   1      7   7   4    24     8.598   19942.703     4338.6     5199.0     66.132   8.598   0.000   0.000  0.960024  0.104911  0.018134  1.000000
+   1133   1      7   8   1    24     8.598   19942.703    32677.9    39158.2    498.097   8.598   0.000   0.000  0.960024  0.104911  0.018134  1.000000
+   1134   1      8   5   5    24     8.598   19942.703    16685.0    19993.8    254.323   8.598   0.000   0.000  0.960024  0.104911  0.018134  1.000000
+   1135   1      8   7   1    24     8.598   19942.703    27027.0    32386.7    411.964   8.598   0.000   0.000  0.960024  0.104911  0.018134  1.000000
+   1136   1      3  10   1    24     8.911   20302.061      218.2      221.5      3.105   8.911   0.000   0.000  0.977323  0.102890  0.017346  1.000000
+   1137   1      5   9   2    24     8.911   20302.061     3919.0     3978.4     55.761   8.911   0.000   0.000  0.977323  0.102890  0.017346  1.000000
+   1138   1      6   7   5    24     8.911   20302.061    27729.2    28149.5    394.539   8.911   0.000   0.000  0.977323  0.102890  0.017346  1.000000
+   1139   1      7   6   5    24     8.911   20302.061     2165.8     2198.6     30.815   8.911   0.000   0.000  0.977323  0.102890  0.017346  1.000000
+   1140   1      9   5   2    24     8.911   20302.061    10503.0    10662.2    149.440   8.911   0.000   0.000  0.977323  0.102890  0.017346  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-   1141   1     10   3   1    24     8.911   20302.061    25654.7    26037.6    364.960   8.911   0.000   0.000  0.977323  0.102891  0.017346  1.000000
-   1142   1      6   6   6     8     9.076   20489.182    16281.3    15361.9    242.298   9.076   0.000   0.000  0.986331  0.101866  0.016962  1.000000
-   1143   1     10   2   2    24     9.076   20489.182    40906.5    38596.5    608.768   9.076   0.000   0.000  0.986331  0.101866  0.016962  1.000000
-   1144   1      4   9   3    24     9.247   20681.570     3665.3     3718.3     56.492   9.247   0.000   0.000  0.995593  0.100832  0.016586  1.000000
-   1145   1      5   9   0    12     9.247   20681.570     9636.1     9775.5    148.520   9.247   0.000   0.000  0.995593  0.100832  0.016586  1.000000
-   1146   1      9   4   3    24     9.247   20681.570    39286.0    39854.1    605.509   9.247   0.000   0.000  0.995593  0.100832  0.016586  1.000000
-   1147   1      9   5   0    12     9.247   20681.570     3871.3     3927.3     59.668   9.247   0.000   0.000  0.995593  0.100832  0.016586  1.000000
-   1148   1      2  10   0    12     9.425   20879.486      407.9      384.4      9.329   9.425   0.000   0.000  1.005120  0.099789  0.016217  1.000000
-   1149   1      6   8   2    24     9.425   20879.486     7356.4     6931.8    168.237   9.425   0.000   0.000  1.005120  0.099789  0.016217  1.000000
-   1150   1      8   6   2    24     9.425   20879.486    24336.8    22932.0    556.565   9.425   0.000   0.000  1.005120  0.099789  0.016217  1.000000
-   1151   1     10   2   0    12     9.425   20879.486       16.7       15.7      0.381   9.425   0.000   0.000  1.005120  0.099789  0.016217  1.000000
-   1152   1      7   7   2    24     9.610   21083.191    28262.3    31848.5    615.919   9.610   0.000   0.000  1.014926  0.098735  0.015854  1.000000
-   1153   1     10   1   1    24     9.610   21083.191     9008.4    10151.4    196.319   9.610   0.000   0.000  1.014926  0.098735  0.015854  1.000000
-   1154   1      6   8   0    12     9.802   21292.980     1592.9     2462.8     92.206   9.802   0.000   0.000  1.025025  0.097671  0.015499  1.000000
-   1155   1      8   6   0    12     9.802   21292.980     2832.4     4379.3    163.956   9.802   0.000   0.000  1.025025  0.097671  0.015499  1.000000
-   1156   1     10   0   0     6     9.802   21292.980     6254.3     9669.9    362.034   9.802   0.000   0.000  1.025025  0.097671  0.015499  1.000000
-   1157   1      4   9   1    24    10.002   21509.158      535.0      492.3      9.840  10.002   0.000   0.000  1.035432  0.096596  0.015151  1.000000
-   1158   1      5   8   3    24    10.002   21509.158    11968.5    11014.4    220.144  10.002   0.000   0.000  1.035432  0.096596  0.015151  1.000000
-   1159   1      7   7   0    12    10.002   21509.158      826.1      760.3     15.196  10.002   0.000   0.000  1.035432  0.096596  0.015151  1.000000
-   1160   1      8   5   3    24    10.002   21509.158     1579.5     1453.6     29.053  10.002   0.000   0.000  1.035432  0.096596  0.015151  1.000000
-   1161   1      9   4   1    24    10.002   21509.158    30620.0    28178.9    563.211  10.002   0.000   0.000  1.035432  0.096596  0.015151  1.000000
-   1162   1      8   4   4    24    10.211   21732.061    18705.8    15646.3    641.535  10.211   0.000   0.000  1.046162  0.095510  0.014810  1.000000
-   1163   1      3   9   2    24    10.428   21962.033   215112.5   219839.3    988.850  10.428   0.000   0.000  1.057233  0.094413  0.014475  1.000000
-   1164   1      6   7   3    24    10.428   21962.033     1489.1     1521.8      6.845  10.428   0.000   0.000  1.057233  0.094413  0.014475  1.000000
-   1165   1      7   6   3    24    10.428   21962.033   130845.4   133720.5    601.483  10.428   0.000   0.000  1.057233  0.094413  0.014475  1.000000
-   1166   1      9   3   2    24    10.428   21962.033    26233.9    26810.3    120.594  10.428   0.000   0.000  1.057233  0.094413  0.014475  1.000000
+   1141   1     10   3   1    24     8.911   20302.061    25656.6    26045.4    365.049   8.911   0.000   0.000  0.977323  0.102890  0.017346  1.000000
+   1142   1      6   6   6     8     9.076   20489.182    16281.6    15365.8    242.346   9.076   0.000   0.000  0.986331  0.101865  0.016962  1.000000
+   1143   1     10   2   2    24     9.076   20489.182    40910.2    38609.0    608.934   9.076   0.000   0.000  0.986331  0.101865  0.016962  1.000000
+   1144   1      4   9   3    24     9.247   20681.570     3664.7     3718.5     56.494   9.247   0.000   0.000  0.995593  0.100831  0.016586  1.000000
+   1145   1      5   9   0    12     9.247   20681.570     9637.1     9778.6    148.562   9.247   0.000   0.000  0.995593  0.100831  0.016586  1.000000
+   1146   1      9   4   3    24     9.247   20681.570    39288.3    39865.3    605.654   9.247   0.000   0.000  0.995593  0.100831  0.016586  1.000000
+   1147   1      9   5   0    12     9.247   20681.570     3872.6     3929.4     59.698   9.247   0.000   0.000  0.995593  0.100831  0.016586  1.000000
+   1148   1      2  10   0    12     9.425   20879.486      408.2      384.7      9.337   9.425   0.000   0.000  1.005120  0.099788  0.016217  1.000000
+   1149   1      6   8   2    24     9.425   20879.486     7357.5     6934.6    168.296   9.425   0.000   0.000  1.005120  0.099788  0.016217  1.000000
+   1150   1      8   6   2    24     9.425   20879.486    24336.7    22937.8    556.681   9.425   0.000   0.000  1.005120  0.099788  0.016217  1.000000
+   1151   1     10   2   0    12     9.425   20879.486       16.7       15.7      0.381   9.425   0.000   0.000  1.005120  0.099788  0.016217  1.000000
+   1152   1      7   7   2    24     9.610   21083.191    28265.5    31858.5    616.101   9.610   0.000   0.000  1.014926  0.098734  0.015854  1.000000
+   1153   1     10   1   1    24     9.610   21083.191     9007.9    10152.9    196.344   9.610   0.000   0.000  1.014926  0.098734  0.015854  1.000000
+   1154   1      6   8   0    12     9.802   21292.980     1593.3     2463.8     92.243   9.802   0.000   0.000  1.025025  0.097670  0.015499  1.000000
+   1155   1      8   6   0    12     9.802   21292.980     2832.5     4380.1    163.988   9.802   0.000   0.000  1.025025  0.097670  0.015499  1.000000
+   1156   1     10   0   0     6     9.802   21292.980     6254.7     9672.3    362.120   9.802   0.000   0.000  1.025025  0.097670  0.015499  1.000000
+   1157   1      4   9   1    24    10.002   21509.158      534.9      492.3      9.840  10.002   0.000   0.000  1.035432  0.096595  0.015151  1.000000
+   1158   1      5   8   3    24    10.002   21509.158    11970.0    11018.4    220.222  10.002   0.000   0.000  1.035432  0.096595  0.015151  1.000000
+   1159   1      7   7   0    12    10.002   21509.158      825.9      760.3     15.195  10.002   0.000   0.000  1.035432  0.096595  0.015151  1.000000
+   1160   1      8   5   3    24    10.002   21509.158     1580.6     1455.0     29.080  10.002   0.000   0.000  1.035432  0.096595  0.015151  1.000000
+   1161   1      9   4   1    24    10.002   21509.158    30618.4    28184.4    563.312  10.002   0.000   0.000  1.035432  0.096595  0.015151  1.000000
+   1162   1      8   4   4    24    10.211   21732.057    18706.2    15651.1    641.699  10.211   0.000   0.000  1.046162  0.095509  0.014810  1.000000
+   1163   1      3   9   2    24    10.428   21962.033   215119.0   219896.5    989.100  10.428   0.000   0.000  1.057233  0.094412  0.014475  1.000000
+   1164   1      6   7   3    24    10.428   21962.033     1489.1     1522.2      6.847  10.428   0.000   0.000  1.057233  0.094412  0.014475  1.000000
+   1165   1      7   6   3    24    10.428   21962.033   130848.7   133754.6    601.631  10.428   0.000   0.000  1.057233  0.094412  0.014475  1.000000
+   1166   1      9   3   2    24    10.428   21962.033    26235.6    26818.3    120.629  10.428   0.000   0.000  1.057233  0.094412  0.014475  1.000000
    1167   1      3   9   0    12    10.891   22444.773        6.4        5.2      0.068  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
-   1168   1      5   7   4    24    10.891   22444.773    15456.2    12674.5    165.165  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
-   1169   1      5   8   1    24    10.891   22444.773     6756.9     5540.9     72.205  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
-   1170   1      7   5   4    24    10.891   22444.773    46882.5    38444.9    500.987  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
-   1171   1      8   5   1    24    10.891   22444.773    22901.4    18779.8    244.725  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
-   1172   1      9   3   0    12    10.891   22444.773      360.0      295.2      3.847  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
-   1173   1      6   6   4    24    11.139   22698.395    11249.7     3867.2    535.089  11.139   0.000   0.000  1.092681  0.091049  0.013515  1.000000
-   1174   1      2   9   1    24    11.398   22960.812    44973.8    46661.7    147.918  11.398   0.000   0.000  1.105313  0.089902  0.013209  1.000000
-   1175   1      6   5   5    24    11.398   22960.812   117315.4   121718.5    385.849  11.398   0.000   0.000  1.105313  0.089902  0.013209  1.000000
-   1176   1      6   7   1    24    11.398   22960.812   215580.0   223671.1    709.039  11.398   0.000   0.000  1.105313  0.089902  0.013209  1.000000
-   1177   1      7   6   1    24    11.398   22960.812     5541.9     5749.9     18.227  11.398   0.000   0.000  1.105313  0.089902  0.013209  1.000000
-   1178   1      9   2   1    24    11.398   22960.812   138028.5   143209.0    453.974  11.398   0.000   0.000  1.105313  0.089902  0.013209  1.000000
-   1179   1      4   8   2    24    11.669   23232.549    63120.8    82136.6    613.499  11.669   0.000   0.000  1.118395  0.088742  0.012910  1.000000
-   1180   1      8   4   2    24    11.669   23232.549    26303.2    34227.3    255.652  11.669   0.000   0.000  1.118395  0.088742  0.012910  1.000000
-   1181   1      1   9   0    12    11.954   23514.164     5709.4     6025.1     53.012  11.954   0.000   0.000  1.131951  0.087568  0.012618  1.000000
-   1182   1      8   3   3    24    11.954   23514.164    65879.0    69520.9    611.689  11.954   0.000   0.000  1.131951  0.087568  0.012618  1.000000
-   1183   1      9   1   0    12    11.954   23514.164    30803.6    32506.5    286.013  11.954   0.000   0.000  1.131951  0.087568  0.012618  1.000000
-   1184   1      4   8   0    12    12.253   23806.277    26351.6    27992.4    418.566  12.253   0.000   0.000  1.146013  0.086380  0.012333  1.000000
-   1185   1      8   4   0    12    12.253   23806.277    23277.3    24726.7    369.734  12.253   0.000   0.000  1.146013  0.086380  0.012333  1.000000
-   1186   1      5   7   2    24    12.567   24109.553    24382.2    20205.6    443.893  12.567   0.000   0.000  1.160613  0.085177  0.012055  1.000000
-   1187   1      7   5   2    24    12.567   24109.553    17170.6    14229.4    312.602  12.567   0.000   0.000  1.160613  0.085177  0.012055  1.000000
-   1188   1      6   6   2    24    12.898   24424.725    28605.8    21312.4    690.610  12.898   0.000   0.000  1.175785  0.083958  0.011784  1.000000
-   1189   1      3   8   1    24    13.246   24752.586     4696.4     4978.6     42.743  13.246   0.000   0.000  1.191568  0.082723  0.011521  1.000000
-   1190   1      4   7   3    24    13.246   24752.586     5413.5     5738.8     49.269  13.246   0.000   0.000  1.191568  0.082723  0.011521  1.000000
-   1191   1      5   7   0    12    13.246   24752.586     3878.4     4111.5     35.298  13.246   0.000   0.000  1.191568  0.082723  0.011521  1.000000
-   1192   1      7   4   3    24    13.246   24752.586    80260.7    85083.2    730.464  13.246   0.000   0.000  1.191568  0.082723  0.011521  1.000000
-   1193   1      7   5   0    12    13.246   24752.586     3426.8     3632.7     31.188  13.246   0.000   0.000  1.191568  0.082723  0.011521  1.000000
-   1194   1      8   3   1    24    13.246   24752.586     5039.0     5341.7     45.860  13.246   0.000   0.000  1.191568  0.082723  0.011521  1.000000
-   1195   1      6   6   0    12    13.614   25094.018    33446.7    33295.6    545.229  13.614   0.000   0.000  1.208004  0.081471  0.011264  1.000000
-   1196   1      8   2   2    24    13.614   25094.018    11934.0    11880.1    194.542  13.614   0.000   0.000  1.208004  0.081471  0.011264  1.000000
-   1197   1      5   6   3    24    14.003   25449.980    19442.9    19203.8    135.454  14.003   0.000   0.000  1.225140  0.080202  0.011014  1.000000
-   1198   1      6   5   3    24    14.003   25449.980   120146.3   118668.2    837.029  14.003   0.000   0.000  1.225140  0.080202  0.011014  1.000000
-   1199   1      2   8   0    12    14.415   25821.533    25481.7    27240.9    165.479  14.415   0.000   0.000  1.243026  0.078914  0.010771  1.000000
-   1200   1      6   4   4    24    14.415   25821.533    33342.7    35644.5    216.528  14.415   0.000   0.000  1.243026  0.078914  0.010771  1.000000
+   1168   1      5   7   4    24    10.891   22444.773    15457.6    12679.0    165.218  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
+   1169   1      5   8   1    24    10.891   22444.773     6755.7     5541.3     72.208  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
+   1170   1      7   5   4    24    10.891   22444.773    46884.9    38456.9    501.127  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
+   1171   1      8   5   1    24    10.891   22444.773    22900.6    18784.0    244.772  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
+   1172   1      9   3   0    12    10.891   22444.773      360.2      295.4      3.850  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
+   1173   1      6   6   4    24    11.139   22698.395    11251.3     3869.7    535.238  11.139   0.000   0.000  1.092681  0.091048  0.013515  1.000000
+   1174   1      2   9   1    24    11.398   22960.812    44976.2    46674.9    147.959  11.398   0.000   0.000  1.105313  0.089901  0.013209  1.000000
+   1175   1      6   5   5    24    11.398   22960.812   117316.2   121747.2    385.938  11.398   0.000   0.000  1.105313  0.089901  0.013209  1.000000
+   1176   1      6   7   1    24    11.398   22960.812   215581.7   223724.2    709.205  11.398   0.000   0.000  1.105313  0.089901  0.013209  1.000000
+   1177   1      7   6   1    24    11.398   22960.812     5542.3     5751.6     18.233  11.398   0.000   0.000  1.105313  0.089901  0.013209  1.000000
+   1178   1      9   2   1    24    11.398   22960.812   138035.8   143249.4    454.100  11.398   0.000   0.000  1.105313  0.089901  0.013209  1.000000
+   1179   1      4   8   2    24    11.669   23232.547    63124.9    82159.3    613.654  11.669   0.000   0.000  1.118394  0.088741  0.012910  1.000000
+   1180   1      8   4   2    24    11.669   23232.547    26305.7    34237.8    255.725  11.669   0.000   0.000  1.118394  0.088741  0.012910  1.000000
+   1181   1      1   9   0    12    11.954   23514.164     5709.0     6026.2     53.022  11.954   0.000   0.000  1.131951  0.087567  0.012618  1.000000
+   1182   1      8   3   3    24    11.954   23514.164    65878.2    69538.4    611.834  11.954   0.000   0.000  1.131951  0.087567  0.012618  1.000000
+   1183   1      9   1   0    12    11.954   23514.164    30805.2    32516.7    286.098  11.954   0.000   0.000  1.131951  0.087567  0.012618  1.000000
+   1184   1      4   8   0    12    12.253   23806.279    26352.8    28000.1    418.671  12.253   0.000   0.000  1.146013  0.086379  0.012333  1.000000
+   1185   1      8   4   0    12    12.253   23806.279    23278.6    24733.7    369.829  12.253   0.000   0.000  1.146013  0.086379  0.012333  1.000000
+   1186   1      5   7   2    24    12.567   24109.553    24384.1    20212.0    444.016  12.567   0.000   0.000  1.160613  0.085176  0.012055  1.000000
+   1187   1      7   5   2    24    12.567   24109.553    17171.0    14233.0    312.670  12.567   0.000   0.000  1.160613  0.085176  0.012055  1.000000
+   1188   1      6   6   2    24    12.898   24424.725    28605.5    21318.7    690.786  12.898   0.000   0.000  1.175785  0.083957  0.011784  1.000000
+   1189   1      3   8   1    24    13.246   24752.590     4695.3     4978.7     42.743  13.246   0.000   0.000  1.191568  0.082722  0.011521  1.000000
+   1190   1      4   7   3    24    13.246   24752.590     5412.5     5739.2     49.272  13.246   0.000   0.000  1.191568  0.082722  0.011521  1.000000
+   1191   1      5   7   0    12    13.246   24752.590     3878.9     4113.1     35.312  13.246   0.000   0.000  1.191568  0.082722  0.011521  1.000000
+   1192   1      7   4   3    24    13.246   24752.590    80261.4    85106.3    730.654  13.246   0.000   0.000  1.191568  0.082722  0.011521  1.000000
+   1193   1      7   5   0    12    13.246   24752.590     3427.4     3634.3     31.201  13.246   0.000   0.000  1.191568  0.082722  0.011521  1.000000
+   1194   1      8   3   1    24    13.246   24752.590     5039.3     5343.5     45.875  13.246   0.000   0.000  1.191568  0.082722  0.011521  1.000000
+   1195   1      6   6   0    12    13.614   25094.018    33449.9    33306.2    545.388  13.614   0.000   0.000  1.208004  0.081470  0.011264  1.000000
+   1196   1      8   2   2    24    13.614   25094.018    11933.4    11882.1    194.570  13.614   0.000   0.000  1.208004  0.081470  0.011264  1.000000
+   1197   1      5   6   3    24    14.003   25449.980    19445.3    19211.0    135.504  14.003   0.000   0.000  1.225140  0.080201  0.011014  1.000000
+   1198   1      6   5   3    24    14.003   25449.980   120144.9   118697.2    837.224  14.003   0.000   0.000  1.225140  0.080201  0.011014  1.000000
+   1199   1      2   8   0    12    14.415   25821.533    25481.7    27248.2    165.521  14.415   0.000   0.000  1.243026  0.078914  0.010771  1.000000
+   1200   1      6   4   4    24    14.415   25821.533    33342.2    35653.7    216.581  14.415   0.000   0.000  1.243026  0.078914  0.010771  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-   1201   1      8   2   0    12    14.415   25821.533    98201.7   104981.2    637.723  14.415   0.000   0.000  1.243026  0.078914  0.010771  1.000000
-   1202   1      4   7   1    24    14.852   26209.850     5415.1     4817.3    131.773  14.852   0.000   0.000  1.261719  0.077608  0.010536  1.000000
-   1203   1      5   5   4    24    14.852   26209.850     5334.4     4745.5    129.808  14.852   0.000   0.000  1.261719  0.077608  0.010536  1.000000
-   1204   1      7   4   1    24    14.852   26209.850    11199.6     9963.2    272.533  14.852   0.000   0.000  1.261719  0.077608  0.010536  1.000000
-   1205   1      8   1   1    24    14.852   26209.850     5908.2     5255.9    143.771  14.852   0.000   0.000  1.261719  0.077608  0.010536  1.000000
-   1206   1      8   0   0     6    15.316   26616.229    44183.6    36254.2    751.986  15.316   0.000   0.000  1.281282  0.076281  0.010307  1.000000
-   1207   1      3   7   2    24    15.810   27042.115   168720.4   174017.1    483.591  15.810   0.000   0.000  1.301784  0.074934  0.010085  1.000000
-   1208   1      5   6   1    24    15.810   27042.115    71352.5    73592.5    204.513  15.810   0.000   0.000  1.301784  0.074934  0.010085  1.000000
-   1209   1      6   5   1    24    15.810   27042.115   239629.1   247152.0    686.832  15.810   0.000   0.000  1.301784  0.074934  0.010085  1.000000
-   1210   1      7   3   2    24    15.810   27042.115    92019.0    94907.8    263.748  15.810   0.000   0.000  1.301784  0.074934  0.010085  1.000000
-   1211   1      3   7   0    12    16.900   27959.055     3179.0      204.1    123.033  16.900   0.000   0.000  1.345924  0.072172  0.009663  1.000000
-   1212   1      7   3   0    12    16.900   27959.055    15627.0     1003.2    604.784  16.900   0.000   0.000  1.345924  0.072172  0.009663  1.000000
-   1213   1      4   6   2    24    17.504   28453.943    47938.7    53342.6    352.536  17.504   0.000   0.000  1.369748  0.070756  0.009463  1.000000
-   1214   1      6   4   2    24    17.504   28453.943    89206.8    99262.8    656.019  17.504   0.000   0.000  1.369748  0.070756  0.009463  1.000000
-   1215   1      2   7   1    24    18.152   28976.080   108882.9   111464.6    376.655  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
-   1216   1      5   5   2    24    18.152   28976.080    43608.2    44642.2    150.852  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
-   1217   1      6   3   3    24    18.152   28976.080     5533.7     5664.9     19.142  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
-   1218   1      7   2   1    24    18.152   28976.080   222796.2   228078.8    770.711  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
-   1219   1      4   6   0    12    18.850   29528.053   149763.0   164060.0    827.614  18.850   0.000   0.000  1.421455  0.067844  0.009083  1.000000
-   1220   1      6   4   0    12    18.850   29528.053    47259.3    51770.8    261.162  18.850   0.000   0.000  1.421455  0.067844  0.009083  1.000000
-   1221   1      1   7   0    12    19.604   30112.826     2320.7     2208.6     10.157  19.604   0.000   0.000  1.449605  0.066347  0.008904  1.000000
-   1222   1      4   5   3    24    19.604   30112.826     2190.9     2085.0      9.588  19.604   0.000   0.000  1.449605  0.066347  0.008904  1.000000
-   1223   1      5   4   3    24    19.604   30112.826   228908.0   217848.5   1001.820  19.604   0.000   0.000  1.449605  0.066347  0.008904  1.000000
-   1224   1      5   5   0    12    19.604   30112.826     6829.3     6499.3     29.888  19.604   0.000   0.000  1.449605  0.066347  0.008904  1.000000
-   1225   1      7   1   0    12    19.604   30112.826    23401.6    22271.0    102.418  19.604   0.000   0.000  1.449605  0.066347  0.008904  1.000000
-   1226   1      4   4   4     8    20.421   30733.771    97615.3    93091.5    915.179  20.421   0.000   0.000  1.479497  0.064819  0.008731  1.000000
-   1227   1      3   6   1    24    21.309   31394.787   179510.6   180179.8    826.548  21.309   0.000   0.000  1.511318  0.063259  0.008566  1.000000
-   1228   1      6   3   1    24    21.309   31394.787    73662.6    73937.2    339.176  21.309   0.000   0.000  1.511318  0.063259  0.008566  1.000000
-   1229   1      6   2   2    24    22.278   32100.377   203755.2   218100.4   1129.232  22.278   0.000   0.000  1.545284  0.061664  0.008408  1.000000
-   1230   1      4   5   1    24    23.338   32855.785   143309.5   140255.0    813.469  23.338   0.000   0.000  1.581649  0.060033  0.008256  1.000000
-   1231   1      5   4   1    24    23.338   32855.785    57488.7    56263.3    326.324  23.338   0.000   0.000  1.581649  0.060033  0.008256  1.000000
-   1232   1      2   6   0    12    24.505   33667.160      298.3      267.8      5.668  24.505   0.000   0.000  1.620708  0.058363  0.008112  1.000000
-   1233   1      6   2   0    12    24.505   33667.160    48179.1    43247.0    915.459  24.505   0.000   0.000  1.620708  0.058363  0.008112  1.000000
-   1234   1      3   5   2    24    25.795   34541.777   327793.3   336683.3    683.993  25.795   0.000   0.000  1.662811  0.056650  0.007975  1.000000
-   1235   1      5   3   2    24    25.795   34541.777   248084.5   254812.7    517.668  25.795   0.000   0.000  1.662811  0.056650  0.007975  1.000000
-   1236   1      6   1   1    24    25.795   34541.777   349652.7   359135.5    729.606  25.795   0.000   0.000  1.662811  0.056650  0.007975  1.000000
-   1237   1      4   4   2    24    27.228   35488.301   221829.9   212594.5   1067.997  27.228   0.000   0.000  1.708376  0.054892  0.007845  1.000000
-   1238   1      6   0   0     6    27.228   35488.301    54182.3    51926.5    260.860  27.228   0.000   0.000  1.708376  0.054892  0.007845  1.000000
-   1239   1      3   5   0    12    28.830   36517.164     1267.6     1187.1     12.233  28.830   0.000   0.000  1.757904  0.053084  0.007722  1.000000
-   1240   1      4   3   3    24    28.830   36517.164    30051.5    28143.5    290.009  28.830   0.000   0.000  1.757904  0.053084  0.007722  1.000000
-   1241   1      5   3   0    12    28.830   36517.164    91686.6    85865.1    884.811  28.830   0.000   0.000  1.757904  0.053084  0.007722  1.000000
-   1242   1      4   4   0    12    30.632   37641.031  1044590.8  1033141.4   2188.927  30.632   0.000   0.000  1.812006  0.051222  0.007606  1.000000
-   1243   1      2   5   1    24    32.674   38875.488  1051350.6  1096924.1   1883.565  32.674   0.000   0.000  1.871432  0.049301  0.007496  1.000000
-   1244   1      5   2   1    24    32.674   38875.488   470133.3   490512.4    842.275  32.674   0.000   0.000  1.871432  0.049301  0.007496  1.000000
-   1245   1      1   5   0    12    37.701   41758.973   115330.6   113813.9    187.486  37.701   0.000   0.000  2.010241  0.045256  0.007299  1.000000
-   1246   1      3   4   1    24    37.701   41758.973  1289414.8  1272457.4   2096.121  37.701   0.000   0.000  2.010241  0.045256  0.007299  1.000000
-   1247   1      4   3   1    24    37.701   41758.973   603514.9   595578.0    981.097  37.701   0.000   0.000  2.010241  0.045256  0.007299  1.000000
-   1248   1      5   1   0    12    37.701   41758.973    20767.2    20494.1     33.760  37.701   0.000   0.000  2.010241  0.045256  0.007299  1.000000
-   1249   1      4   2   2    24    40.842   43464.121    60188.8    39581.8   1485.878  40.842   0.000   0.000  2.092325  0.043117  0.007212  1.000000
-   1250   1      3   3   2    24    44.555   45396.789  2789830.0  2810801.5   3939.975  44.555   0.000   0.000  2.185362  0.040886  0.007131  1.000000
-   1251   1      2   4   0    12    49.011   47612.555   643525.7   665281.6   1579.978  49.011   0.000   0.000  2.292027  0.038552  0.007057  1.000000
-   1252   1      4   2   0    12    49.011   47612.555   600690.0   620997.7   1474.808  49.011   0.000   0.000  2.292027  0.038552  0.007057  1.000000
-   1253   1      3   3   0    12    54.456   50188.035    11926.5    12012.8     34.831  54.456   0.000   0.000  2.416008  0.036098  0.006990  1.000000
-   1254   1      4   1   1    24    54.456   50188.035   992415.1   999589.7   2898.277  54.456   0.000   0.000  2.416008  0.036098  0.006990  1.000000
-   1255   1      4   0   0     6    61.263   53232.457   507514.4   511873.9   2602.469  61.263   0.000   0.000  2.562564  0.033503  0.006930  1.000000
-   1256   1      2   3   1    24    70.015   56907.887   234928.7   245963.9   1051.334  70.015   0.000   0.000  2.739496  0.030740  0.006877  1.000000
-   1257   1      3   2   1    24    70.015   56907.887   496216.7   519525.2   2220.629  70.015   0.000   0.000  2.739496  0.030740  0.006877  1.000000
-   1258   1      2   2   2     8    81.685   61467.543   528388.1   511002.3   3391.726  81.685   0.000   0.000  2.958994  0.027771  0.006832  1.000000
-   1259   1      1   3   0    12    98.022   67334.320    42530.7    42211.5    425.114  98.022   0.000   0.000  3.241416  0.024543  0.006793  1.000000
-   1260   1      3   1   0    12    98.022   67334.320   342465.2   339894.7   3423.096  98.022   0.000   0.000  3.241416  0.024543  0.006793  1.000000
+   1201   1      8   2   0    12    14.415   25821.533    98201.0   105008.8    637.884  14.415   0.000   0.000  1.243026  0.078914  0.010771  1.000000
+   1202   1      4   7   1    24    14.852   26209.850     5415.8     4819.3    131.819  14.852   0.000   0.000  1.261719  0.077607  0.010536  1.000000
+   1203   1      5   5   4    24    14.852   26209.850     5333.2     4745.8    129.809  14.852   0.000   0.000  1.261719  0.077607  0.010536  1.000000
+   1204   1      7   4   1    24    14.852   26209.850    11200.4     9966.8    272.614  14.852   0.000   0.000  1.261719  0.077607  0.010536  1.000000
+   1205   1      8   1   1    24    14.852   26209.850     5908.8     5258.0    143.817  14.852   0.000   0.000  1.261719  0.077607  0.010536  1.000000
+   1206   1      8   0   0     6    15.316   26616.229    44181.8    36264.7    752.173  15.316   0.000   0.000  1.281282  0.076280  0.010307  1.000000
+   1207   1      3   7   2    24    15.810   27042.113   168712.9   174059.8    483.709  15.810   0.000   0.000  1.301784  0.074933  0.010085  1.000000
+   1208   1      5   6   1    24    15.810   27042.113    71350.0    73611.3    204.565  15.810   0.000   0.000  1.301784  0.074933  0.010085  1.000000
+   1209   1      6   5   1    24    15.810   27042.113   239619.9   247214.1    687.004  15.810   0.000   0.000  1.301784  0.074933  0.010085  1.000000
+   1210   1      7   3   2    24    15.810   27042.113    92018.4    94934.7    263.822  15.810   0.000   0.000  1.301784  0.074933  0.010085  1.000000
+   1211   1      3   7   0    12    16.900   27959.055     3177.8      204.0    123.024  16.900   0.000   0.000  1.345924  0.072171  0.009663  1.000000
+   1212   1      7   3   0    12    16.900   27959.055    15627.1     1003.1    604.976  16.900   0.000   0.000  1.345924  0.072171  0.009663  1.000000
+   1213   1      4   6   2    24    17.504   28453.943    47937.6    53356.3    352.628  17.504   0.000   0.000  1.369748  0.070755  0.009463  1.000000
+   1214   1      6   4   2    24    17.504   28453.943    89203.8    99287.0    656.181  17.504   0.000   0.000  1.369748  0.070755  0.009463  1.000000
+   1215   1      2   7   1    24    18.152   28976.076   108874.9   111492.3    376.749  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
+   1216   1      5   5   2    24    18.152   28976.076    43605.8    44654.1    150.893  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
+   1217   1      6   3   3    24    18.152   28976.076     5532.9     5665.9     19.146  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
+   1218   1      7   2   1    24    18.152   28976.076   222780.1   228135.9    770.905  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
+   1219   1      4   6   0    12    18.850   29528.053   149752.7   164100.8    827.821  18.850   0.000   0.000  1.421455  0.067844  0.009083  1.000000
+   1220   1      6   4   0    12    18.850   29528.053    47256.2    51783.9    261.228  18.850   0.000   0.000  1.421455  0.067844  0.009083  1.000000
+   1221   1      1   7   0    12    19.604   30112.820     2321.7     2210.2     10.164  19.604   0.000   0.000  1.449605  0.066346  0.008904  1.000000
+   1222   1      4   5   3    24    19.604   30112.820     2191.5     2086.2      9.594  19.604   0.000   0.000  1.449605  0.066346  0.008904  1.000000
+   1223   1      5   4   3    24    19.604   30112.820   228895.7   217899.2   1002.058  19.604   0.000   0.000  1.449605  0.066346  0.008904  1.000000
+   1224   1      5   5   0    12    19.604   30112.820     6830.6     6502.4     29.903  19.604   0.000   0.000  1.449605  0.066346  0.008904  1.000000
+   1225   1      7   1   0    12    19.604   30112.820    23401.7    22277.4    102.448  19.604   0.000   0.000  1.449605  0.066346  0.008904  1.000000
+   1226   1      4   4   4     8    20.421   30733.771    97608.8    93114.5    915.410  20.421   0.000   0.000  1.479497  0.064818  0.008731  1.000000
+   1227   1      3   6   1    24    21.309   31394.787   179498.1   180223.8    826.751  21.309   0.000   0.000  1.511318  0.063258  0.008566  1.000000
+   1228   1      6   3   1    24    21.309   31394.787    73659.0    73956.8    339.266  21.309   0.000   0.000  1.511318  0.063258  0.008566  1.000000
+   1229   1      6   2   2    24    22.278   32100.375   203748.0   218155.3   1129.518  22.278   0.000   0.000  1.545284  0.061664  0.008408  1.000000
+   1230   1      4   5   1    24    23.338   32855.785   143301.9   140293.8    813.694  23.338   0.000   0.000  1.581649  0.060033  0.008256  1.000000
+   1231   1      5   4   1    24    23.338   32855.785    57480.9    56274.3    326.387  23.338   0.000   0.000  1.581649  0.060033  0.008256  1.000000
+   1232   1      2   6   0    12    24.505   33667.160      298.5      268.0      5.673  24.505   0.000   0.000  1.620708  0.058362  0.008112  1.000000
+   1233   1      6   2   0    12    24.505   33667.160    48177.2    43258.1    915.688  24.505   0.000   0.000  1.620708  0.058362  0.008112  1.000000
+   1234   1      3   5   2    24    25.795   34541.777   327770.1   336767.8    684.164  25.795   0.000   0.000  1.662811  0.056650  0.007975  1.000000
+   1235   1      5   3   2    24    25.795   34541.777   248067.5   254877.2    517.799  25.795   0.000   0.000  1.662811  0.056650  0.007975  1.000000
+   1236   1      6   1   1    24    25.795   34541.777   349629.4   359227.2    729.792  25.795   0.000   0.000  1.662811  0.056650  0.007975  1.000000
+   1237   1      4   4   2    24    27.228   35488.305   221814.2   212651.1   1068.280  27.228   0.000   0.000  1.708376  0.054891  0.007845  1.000000
+   1238   1      6   0   0     6    27.228   35488.305    54174.8    51936.8    260.911  27.228   0.000   0.000  1.708376  0.054891  0.007845  1.000000
+   1239   1      3   5   0    12    28.830   36517.164     1267.9     1187.8     12.239  28.830   0.000   0.000  1.757904  0.053083  0.007722  1.000000
+   1240   1      4   3   3    24    28.830   36517.164    30049.7    28151.1    290.087  28.830   0.000   0.000  1.757904  0.053083  0.007722  1.000000
+   1241   1      5   3   0    12    28.830   36517.164    91678.6    85886.1    885.026  28.830   0.000   0.000  1.757904  0.053083  0.007722  1.000000
+   1242   1      4   4   0    12    30.632   37641.031  1044508.9  1033402.8   2189.481  30.632   0.000   0.000  1.812006  0.051222  0.007606  1.000000
+   1243   1      2   5   1    24    32.674   38875.488  1051261.5  1097200.0   1884.038  32.674   0.000   0.000  1.871432  0.049301  0.007496  1.000000
+   1244   1      5   2   1    24    32.674   38875.488   470096.9   490639.5    842.493  32.674   0.000   0.000  1.871432  0.049301  0.007496  1.000000
+   1245   1      1   5   0    12    37.700   41758.973   115316.0   113839.1    187.527  37.700   0.000   0.000  2.010241  0.045256  0.007299  1.000000
+   1246   1      3   4   1    24    37.700   41758.973  1289304.9  1272792.2   2096.671  37.700   0.000   0.000  2.010241  0.045256  0.007299  1.000000
+   1247   1      4   3   1    24    37.700   41758.973   603449.5   595720.9    981.331  37.700   0.000   0.000  2.010241  0.045256  0.007299  1.000000
+   1248   1      5   1   0    12    37.700   41758.973    20763.6    20497.7     33.766  37.700   0.000   0.000  2.010241  0.045256  0.007299  1.000000
+   1249   1      4   2   2    24    40.842   43464.113    60182.1    39592.9   1486.249  40.842   0.000   0.000  2.092324  0.043116  0.007212  1.000000
+   1250   1      3   3   2    24    44.555   45396.789  2789517.0  2811512.8   3940.966  44.555   0.000   0.000  2.185362  0.040886  0.007131  1.000000
+   1251   1      2   4   0    12    49.011   47612.559   643446.6   665451.2   1580.383  49.011   0.000   0.000  2.292027  0.038552  0.007057  1.000000
+   1252   1      4   2   0    12    49.011   47612.559   600614.1   621153.9   1475.181  49.011   0.000   0.000  2.292027  0.038552  0.007057  1.000000
+   1253   1      3   3   0    12    54.456   50188.035    11925.3    12015.9     34.840  54.456   0.000   0.000  2.416008  0.036097  0.006990  1.000000
+   1254   1      4   1   1    24    54.456   50188.035   992303.5   999844.1   2899.025  54.456   0.000   0.000  2.416008  0.036097  0.006990  1.000000
+   1255   1      4   0   0     6    61.263   53232.457   507453.0   512006.0   2603.072  61.263   0.000   0.000  2.562564  0.033502  0.006930  1.000000
+   1256   1      2   3   1    24    70.015   56907.887   234893.6   246025.5   1051.588  70.015   0.000   0.000  2.739496  0.030739  0.006877  1.000000
+   1257   1      3   2   1    24    70.015   56907.887   496145.5   519658.3   2221.180  70.015   0.000   0.000  2.739496  0.030739  0.006877  1.000000
+   1258   1      2   2   2     8    81.684   61467.543   528331.4   511135.3   3392.554  81.684   0.000   0.000  2.958994  0.027771  0.006832  1.000000
+   1259   1      1   3   0    12    98.021   67334.320    42523.7    42219.9    425.197  98.021   0.000   0.000  3.241415  0.024543  0.006793  1.000000
+   1260   1      3   1   0    12    98.021   67334.320   342431.2   339984.6   3423.985  98.021   0.000   0.000  3.241415  0.024543  0.006793  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-   1261   1      2   2   0    12   122.527   75282.062  2880883.2  2832595.5   9291.361 122.527   0.000   0.000  3.624013  0.020973  0.006761  1.000000
-   1262   1      2   1   1    24   163.369   86928.242  2234599.0  2208019.5  11798.152 163.369   0.000   0.000  4.184649  0.016920  0.006737  1.000000
+   1261   1      2   2   0    12   122.527   75282.062  2880499.0  2833318.8   9293.753 122.527   0.000   0.000  3.624013  0.020973  0.006761  1.000000
+   1262   1      2   1   1    24   163.369   86928.227  2234270.8  2208583.0  11801.081 163.369   0.000   0.000  4.184649  0.016920  0.006737  1.000000
 
      -----------------------------------------------------
      BRAGG R-Factors and weight fractions for Pattern #  1
      -----------------------------------------------------
 
  => Phase:  1     Y5Al3O12 Nuclear
- => Bragg R-factor:   3.99       Vol: 1076.971( 0.000)  Fract(%):  100.00( 0.63)
+ => Bragg R-factor:   3.99       Vol: 1076.971( 0.000)  Fract(%):  100.00( 0.00)
  => Rf-factor=  19.6             ATZ:       17501.770   Brindley:  1.0000
 
      -----------------------------------------------------------------
       SYMBOLIC NAMES AND FINAL VALUES AND SIGMA OF REFINED PARAMETERS:
      -----------------------------------------------------------------
 
-      ->  Parameter number    1 :                                     Beta1_ph1_pat1    0.97076381E-02( +/-    0.25165902E-03 )
-      ->  Parameter number    2 :                                     Scale_ph1_pat1     4.0199213    ( +/-    0.18034674E-01 )
-      ->  Parameter number    3 :                                    Alpha1_ph1_pat1    0.10962211    ( +/-    0.23273444E-02 )
-      ->  Parameter number    4 :                                     Beta0_ph1_pat1    0.67049800E-02( +/-    0.35157740E-04 )
-      ->  Parameter number    5 :                                    Alpha0_ph1_pat1   -0.92755072E-02( +/-    0.97501290E-03 )
-      ->  Parameter number    6 :                                     Sig-2_ph1_pat1     15.695944    ( +/-    0.77429295     )
-      ->  Parameter number    7 :                                          Dtt1_pat1     20773.123    ( +/-    0.34952900     )
-      ->  Parameter number    8 :                                          Zero_pat1    -13.881660    ( +/-    0.51615024     )
-      ->  Parameter number    9 :                                        Bck_27_pat1     262.42114    ( +/-     15.162102     )
-      ->  Parameter number   10 :                                          X_Ca1_ph1    0.46609882    ( +/-    0.35050014E-03 )
-      ->  Parameter number   11 :                                          X_Al1_ph1    0.25162852    ( +/-    0.66147256E-03 )
-      ->  Parameter number   12 :                                       Biso_Ca1_ph1    0.88721049    ( +/-    0.80666266E-01 )
-      ->  Parameter number   13 :                                       Biso_Al1_ph1    0.65230036    ( +/-    0.87956369E-01 )
-      ->  Parameter number   14 :                                          X_Na1_ph1    0.84720269E-01( +/-    0.38642276E-03 )
-      ->  Parameter number   15 :                                       Biso_Na1_ph1     1.8916789    ( +/-    0.18805525     )
-      ->  Parameter number   16 :                                        Biso_F1_ph1    0.89534771    ( +/-    0.62653773E-01 )
-      ->  Parameter number   17 :                                           X_F1_ph1    0.13747935    ( +/-    0.26878202E-03 )
-      ->  Parameter number   18 :                                           Y_F1_ph1    0.30532992    ( +/-    0.25424105E-03 )
-      ->  Parameter number   19 :                                           Z_F1_ph1    0.11947035    ( +/-    0.27134569E-03 )
-      ->  Parameter number   20 :                                           X_F2_ph1    0.36263111    ( +/-    0.31856401E-03 )
-      ->  Parameter number   21 :                                           Y_F2_ph1    0.36333010    ( +/-    0.33495811E-03 )
-      ->  Parameter number   22 :                                           Z_F2_ph1    0.18668990    ( +/-    0.28046398E-03 )
-      ->  Parameter number   23 :                                           X_F3_ph1    0.46120074    ( +/-    0.17044434E-03 )
-      ->  Parameter number   24 :                                        Biso_F2_ph1     1.2717477    ( +/-    0.63802503E-01 )
-      ->  Parameter number   25 :                                        Biso_F3_ph1    0.78029478    ( +/-    0.85984536E-01 )
-      ->  Parameter number   26 :                                         Bck_9_pat1     469.98965    ( +/-     12.240104     )
-      ->  Parameter number   27 :                                         Bck_0_pat1     522.60162    ( +/-     15.540574     )
-      ->  Parameter number   28 :                                         Bck_1_pat1     560.03394    ( +/-     25.920834     )
-      ->  Parameter number   29 :                                         Bck_2_pat1     291.16641    ( +/-     137.94968     )
-      ->  Parameter number   30 :                                         Bck_3_pat1     548.97003    ( +/-     19.236776     )
-      ->  Parameter number   31 :                                         Bck_4_pat1     531.04156    ( +/-     17.010670     )
-      ->  Parameter number   32 :                                         Bck_5_pat1     495.87439    ( +/-     13.883901     )
-      ->  Parameter number   33 :                                         Bck_6_pat1     428.68692    ( +/-     10.477614     )
-      ->  Parameter number   34 :                                         Bck_7_pat1     452.52621    ( +/-     10.514510     )
-      ->  Parameter number   35 :                                         Bck_8_pat1     397.27615    ( +/-     9.4052353     )
-      ->  Parameter number   36 :                                        Bck_10_pat1     478.45761    ( +/-     9.3998165     )
-      ->  Parameter number   37 :                                        Bck_11_pat1     380.17941    ( +/-     6.0140519     )
-      ->  Parameter number   38 :                                        Bck_12_pat1     381.52292    ( +/-     5.3646965     )
-      ->  Parameter number   39 :                                        Bck_13_pat1     378.66245    ( +/-     4.5869703     )
-      ->  Parameter number   40 :                                        Bck_14_pat1     343.98767    ( +/-     4.0146437     )
-      ->  Parameter number   41 :                                        Bck_15_pat1     328.39908    ( +/-     3.6294780     )
-      ->  Parameter number   42 :                                        Bck_16_pat1     310.70786    ( +/-     3.5281250     )
-      ->  Parameter number   43 :                                        Bck_17_pat1     322.94995    ( +/-     3.4143081     )
-      ->  Parameter number   44 :                                        Bck_18_pat1     283.09601    ( +/-     3.3723531     )
-      ->  Parameter number   45 :                                        Bck_19_pat1     272.68820    ( +/-     3.5323045     )
-      ->  Parameter number   46 :                                        Bck_20_pat1     256.88174    ( +/-     3.5759909     )
-      ->  Parameter number   47 :                                        Bck_21_pat1     259.86649    ( +/-     3.6992450     )
-      ->  Parameter number   48 :                                        Bck_22_pat1     260.76187    ( +/-     3.9316440     )
-      ->  Parameter number   49 :                                        Bck_23_pat1     262.22113    ( +/-     4.7380772     )
-      ->  Parameter number   50 :                                        Bck_24_pat1     262.03915    ( +/-     5.7929387     )
-      ->  Parameter number   51 :                                        Bck_25_pat1     268.18109    ( +/-     5.5700345     )
-      ->  Parameter number   52 :                                        Bck_26_pat1     268.22943    ( +/-     7.0677371     )
 
  ------------------------------------------------------------------
  => Number of bytes for floating point variables: 4
  => Dimensions of dynamic allocated arrays in this run of FullProf:
  ------------------------------------------------------------------
 
- => Total approximate array memory (dynamic + static): 155079153 bytes
+ => Total approximate array memory (dynamic + static): 160071153 bytes
 
     MaxPOINT=    80000 Max.num. of points(+int. Inten.)/diffraction pattern       
     MaxREFLT=    25000 Max.num. of reflections/diffraction pattern               
@@ -2717,7 +2550,7 @@
     NGL     =      400 Max.num. of global parameters/diffraction pattern          
     N_LINC  =       50 Max.num. of global linear restraints                        
     NAT_P   =       80 Max.num. of atomic parameters per atom                     
-    NCONST  =      500 Max.num. of slack constraints per phase                    
+    NCONST  =     3500 Max.num. of slack constraints per phase                    
     N_SPE   =       30 Max.num. of different chemical species                     
     N_FORM  =       60 Max.num. of scattering factor values in a table            
     NPR     =      150 Max.num. of points defining a numerical profile            
@@ -2726,7 +2559,7 @@
     NSOL    =       10 Max.num. of solutions to be stored in Montecarlo searchs   
 
  
-              CPU Time:     0.586 seconds
-                            0.010 minutes
+              CPU Time:     0.734 seconds
+                            0.012 minutes
 
- => Run finished at:     Date: 06/06/2026  Time: 23:14:38.508                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:04.985                              
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.pcr b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.pcr
index 31f58f68e..56a45adc2 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.pcr
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.pcr
@@ -1,5 +1,5 @@
 YAG highres
-! Current global Chi2 (Bragg contrib.) =      15.94    
+! Current global Chi2 (Bragg contrib.) =      15.89    
 NPATT      5       1 0 0 0 0 <- Flags for patterns (1:refined, 0: excluded)
 W_PAT   1.000 1.000 1.000 1.000 1.000
 !Nph Dum Ias Nre Cry Opt Aut
@@ -51,34 +51,34 @@ W_PAT   1.000 1.000 1.000 1.000 1.000
    4002.3171     58.7510 265781.8438
 !
 !2Theta/TOF/E(Kev)   Background  for Pattern#  1
-     11136.8740       522.6016        271.00
-     13313.3877       560.0339        281.00
-      9162.3037       291.1664        291.00
-     14906.5078       548.9700        301.00
-     16454.7500       531.0416        311.00
-     17352.2812       495.8744        321.00
-     18743.4551       428.6869        331.00
-     20179.5078       452.5262        341.00
-     21368.7363       397.2762        351.00
-     22176.0391       469.9897        261.00
-     22827.2266       478.4576        361.00
-     24644.7285       380.1794        371.00
-     26439.7910       381.5229        381.00
-     28257.2930       378.6624        391.00
-     31196.7109       343.9877        401.00
-     34034.4062       328.3991        411.00
-     37265.5195       310.7079        421.00
-     41214.6602       322.9500        431.00
-     44827.2266       283.0960        441.00
-     49830.9648       272.6882        451.00
-     52905.0117       256.8817        461.00
-     58204.9375       259.8665        471.00
-     62916.9805       260.7619        481.00
-     70186.9844       262.2211        491.00
-     74204.9375       262.0392        501.00
-     82103.2188       268.1811        511.00
-     91958.8672       268.2294        521.00
-    102712.0391       262.4211         91.00
+     11136.8740       522.6016          0.00
+     13313.3877       560.0339          0.00
+      9162.3037       291.1664          0.00
+     14906.5078       548.9700          0.00
+     16454.7500       531.0416          0.00
+     17352.2812       495.8744          0.00
+     18743.4551       428.6869          0.00
+     20179.5078       452.5262          0.00
+     21368.7363       397.2762          0.00
+     22176.0391       469.9897          0.00
+     22827.2266       478.4576          0.00
+     24644.7285       380.1794          0.00
+     26439.7910       381.5229          0.00
+     28257.2930       378.6624          0.00
+     31196.7109       343.9877          0.00
+     34034.4062       328.3991          0.00
+     37265.5195       310.7079          0.00
+     41214.6602       322.9500          0.00
+     44827.2266       283.0960          0.00
+     49830.9648       272.6882          0.00
+     52905.0117       256.8817          0.00
+     58204.9375       259.8665          0.00
+     62916.9805       260.7619          0.00
+     70186.9844       262.2211          0.00
+     74204.9375       262.0392          0.00
+     82103.2188       268.1811          0.00
+     91958.8672       268.2294          0.00
+    102712.0391       262.4211          0.00
 ! 
 ! Excluded regions (LowT  HighT) for Pattern#  1
         0.00     9000.00
@@ -217,10 +217,10 @@ W_PAT   1.000 1.000 1.000 1.000 1.000
    240000.00   300000.00
 ! 
 !
-      52    !Number of refined parameters
+       0    !Number of refined parameters
 !
 !    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  1
-   -13.88166   81.00 20773.12305   71.00    -1.08308    0.00     0.00000    0.00   152.827
+   -13.88128    0.00 20773.12305    0.00    -1.08308    0.00     0.00000    0.00   152.827
 !
 !    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  2
    -15.05269    0.00 18660.06836    0.00    -0.47488    0.00     0.00000    0.00   121.660
@@ -234,7 +234,7 @@ W_PAT   1.000 1.000 1.000 1.000 1.000
 !    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  5
     13.51434    0.00  4986.07373    0.00     1.85733    0.00     0.00000    0.00    27.081
 !-------------------------------------------------------------------------------
-!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   4.0329
+!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   3.9914
 !-------------------------------------------------------------------------------
 Y5Al3O12 Nuclear
 !
@@ -267,33 +267,33 @@ Y5Al3O12 Nuclear
 I 21 3                   <--Space group symbol
 !Atom   Typ       X        Y        Z     Biso       Occ     In Fin N_t Spc /Codes
 Ca1    CA      0.46610  0.00000  0.25000  0.88721   1.50000   0   0   0    0  
-                101.00     0.00     0.00   121.00      0.00
+                  0.00     0.00     0.00     0.00      0.00
 Al1    AL      0.25163  0.25163  0.25163  0.65230   1.00000   0   0   0    0  
-                111.00   111.00   111.00   131.00      0.00
+                  0.00     0.00     0.00     0.00      0.00
 Na1    NA      0.08472  0.08472  0.08472  1.89168   1.00000   0   0   0    0  
-                141.00   141.00   141.00   151.00      0.00
+                  0.00     0.00     0.00     0.00      0.00
 F1     F       0.13748  0.30533  0.11947  0.89535   3.00000   0   0   0    0  
-                171.00   181.00   191.00   161.00      0.00
+                  0.00     0.00     0.00     0.00      0.00
 F2     F       0.36263  0.36333  0.18669  1.27175   3.00000   0   0   0    0  
-                201.00   211.00   221.00   241.00      0.00
+                  0.00     0.00     0.00     0.00      0.00
 F3     F       0.46120  0.46120  0.46120  0.78029   1.00000   0   0   0    0  
-                231.00   231.00   231.00   251.00      0.00
+                  0.00     0.00     0.00     0.00      0.00
 !-------> Profile Parameters for Pattern #   1  ----> Phase #   1
 !  Scale          Extinc       Bov      Str1      Str2      Str3    Strain-Mode
-  4.019921        0.0000    0.0000    0.0000    0.0000    0.0000         0
-      21.00000      0.00      0.00      0.00      0.00      0.00
+  4.019304        0.0000    0.0000    0.0000    0.0000    0.0000         0
+       0.00000      0.00      0.00      0.00      0.00      0.00
 !      Sigma-2       Sigma-1       Sigma-0       Sigma-Q   Iso-GStrain     Iso-GSize     Ani-LSize   Size-Model
        15.6959        0.0000        0.0000        0.0000        0.0000        0.0000        0.0000       0
-         61.00          0.00          0.00          0.00          0.00          0.00          0.00
+          0.00          0.00          0.00          0.00          0.00          0.00          0.00
 !      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
         0.0000        0.0000        0.0000        0.0000        0.0000
           0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
+!     a          b         c        alpha      beta       gamma      # Cell Info
   10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
     0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 !      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
     1.000000    0.000000   -0.009276    0.006705    0.109622    0.009708    0.000000    0.000000
-        0.00        0.00       51.00       41.00       31.00       11.00        0.00        0.00
+        0.00        0.00        0.00        0.00        0.00        0.00        0.00        0.00
 !Absorption correction parameters
    0.00000    0.00   0.00000    0.00            ABS: ABSCOR1  ABSCOR2
 !-------> Profile Parameters for Pattern #   2  ----> Phase #   1
@@ -306,7 +306,7 @@ F3     F       0.46120  0.46120  0.46120  0.78029   1.00000   0   0   0    0
 !      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
         0.0000        0.0000        0.0000        0.0000        0.0000
           0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
+!     a          b         c        alpha      beta       gamma      # Cell Info
   10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
     0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 !      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
@@ -324,7 +324,7 @@ F3     F       0.46120  0.46120  0.46120  0.78029   1.00000   0   0   0    0
 !      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
         0.0000        0.0002        0.0000        0.0000        0.0000
           0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
+!     a          b         c        alpha      beta       gamma      # Cell Info
   10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
     0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 !      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
@@ -342,7 +342,7 @@ F3     F       0.46120  0.46120  0.46120  0.78029   1.00000   0   0   0    0
 !      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
         0.0000        1.6846        0.0000        0.0000        0.0000
           0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
+!     a          b         c        alpha      beta       gamma      # Cell Info
   10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
     0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 !      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
@@ -360,7 +360,7 @@ F3     F       0.46120  0.46120  0.46120  0.78029   1.00000   0   0   0    0
 !      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
         0.0000        8.2904        0.0000        0.0000        0.0000
           0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
+!     a          b         c        alpha      beta       gamma      # Cell Info
   10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
     0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 !      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.sum b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.sum
index c0dad0aa2..d66ca4399 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.sum
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.sum
@@ -1,14 +1,14 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 06/06/2026  Time: 23:14:37.923                              
+    Date: 09/06/2026  Time: 12:42:04.250                              
 
  => PCR file code: tmpl_one_bank
  => DAT file code: 55025-5_6raw.gss     -> Relative contribution: 1.0000                                                            
@@ -98,12 +98,12 @@
  => Crystal Structure Refinement for phase: 1
  => The    9th profile function was selected for phase no.  1
  => The density (volumic mass) of phase 1 is:    2.998 g/cm3
- => Scor: 3.2037
+ => Scor: 3.2042
 
  ==> RESULTS OF REFINEMENT:
 
 
- => No. of fitted parameters:   52
+ => No. of fitted parameters:    0
 
 
 ------------------------------------------------------------------------------
@@ -116,12 +116,12 @@
  ==> ATOM PARAMETERS:
 
   Name      x     sx       y     sy       z      sz      B   sB   occ. socc.  Mult
- Ca1     0.46610(  35)  0.00000(   0)  0.25000(   0)  0.887( 80)  1.500(  0)   12
- Al1     0.25163(  66)  0.25163(  66)  0.25163(  66)  0.652( 87)  1.000(  0)    8
- Na1     0.08472(  38)  0.08472(  38)  0.08472(  38)  1.892(188)  1.000(  0)    8
- F1      0.13748(  26)  0.30533(  25)  0.11947(  27)  0.895( 62)  3.000(  0)   24
- F2      0.36263(  31)  0.36333(  33)  0.18669(  28)  1.272( 63)  3.000(  0)   24
- F3      0.46120(  17)  0.46120(  17)  0.46120(  17)  0.780( 85)  1.000(  0)    8
+ Ca1     0.46610(   0)  0.00000(   0)  0.25000(   0)  0.887(  0)  1.500(  0)   12
+ Al1     0.25163(   0)  0.25163(   0)  0.25163(   0)  0.652(  0)  1.000(  0)    8
+ Na1     0.08472(   0)  0.08472(   0)  0.08472(   0)  1.892(  0)  1.000(  0)    8
+ F1      0.13748(   0)  0.30533(   0)  0.11947(   0)  0.895(  0)  3.000(  0)   24
+ F2      0.36263(   0)  0.36333(   0)  0.18669(   0)  1.272(  0)  3.000(  0)   24
+ F3      0.46120(   0)  0.46120(   0)  0.46120(   0)  0.780(  0)  1.000(  0)    8
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
@@ -134,11 +134,11 @@
                              90.00000   0.00000
  
 
- => Overall scale factor       :      4.019921303     0.018034674
+ => Overall scale factor       :      4.019303799     0.000000000
  => T.O.F. Extinction parameter:     0.000000    0.000000
  => Overall temperature  factor:     0.000000    0.000000
  => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
-        15.695944    0.774293
+        15.695900    0.000000
          0.000000    0.000000
          0.000000    0.000000
 
@@ -168,78 +168,49 @@
          0.000000    0.000000
 
  => T.O.F. Peak shape parameter alpha0,beta0,beta1,alphaQ,betaQ: 
-       -0.009276    0.000975    0.006705
-        0.000035    0.109622    0.002327
-        0.009708    0.000252    0.000000
+       -0.009276    0.000000    0.006705
+        0.000000    0.109622    0.000000
+        0.009708    0.000000    0.000000
         0.000000    0.000000    0.000000
 
 
  => Absorption parameters: 
-                              0.00000   0.00000
-                              0.00000   0.00000
+                              0.00000       0.00000    
+                              0.00000       0.00000    
 
 
 
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:   -13.8817    0.5162
- => Background Parameters (linear interpolation)  ==>
-                                 522.602        15.5406    
-                                 560.034        25.9208    
-                                 291.166        137.950    
-                                 548.970        19.2368    
-                                 531.042        17.0107    
-                                 495.874        13.8839    
-                                 428.687        10.4776    
-                                 452.526        10.5145    
-                                 397.276        9.40524    
-                                 469.990        12.2401    
-                                 478.458        9.39982    
-                                 380.179        6.01405    
-                                 381.523        5.36470    
-                                 378.662        4.58697    
-                                 343.988        4.01464    
-                                 328.399        3.62948    
-                                 310.708        3.52813    
-                                 322.950        3.41431    
-                                 283.096        3.37235    
-                                 272.688        3.53230    
-                                 256.882        3.57599    
-                                 259.866        3.69924    
-                                 260.762        3.93164    
-                                 262.221        4.73808    
-                                 262.039        5.79294    
-                                 268.181        5.57003    
-                                 268.229        7.06774    
-                                 262.421        15.1621    
-
- => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):  20773.12      0.35
+ => Zero-point:   -13.8813    0.0000
+
+ => T.O.F.- dtt1       (    TOFo=dtt1*dsp     ):  20773.12      0.00
  => T.O.F.- dtt2       (TOF=TOFo+dtt2*dsp*dsp ):     -1.08      0.00
  => T.O.F.- dtt_1OverD (TOF=TOF+dtt_1overD/dsp):      0.00      0.00
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
   => Cycle:  1 => MaxCycle: 20
- => N-P+C:  3779
+ => N-P+C:  3789
  =>  R-factors (not corrected for background) for Pattern:  1
- => Rp:  7.48     Rwp:  8.27     Rexp:    2.11 Chi2:  15.3      L.S. refinement
+ => Rp:  7.48     Rwp:  8.27     Rexp:    2.12 Chi2:  15.2      L.S. refinement
  => Conventional Rietveld R-factors for Pattern:  1
- => Rp:  17.7     Rwp:  12.5     Rexp:    3.20 Chi2:  15.3    
- => Deviance:  0.338E+05     Dev*  :   8.953    
- => DW-Stat.:    0.3496     DW-exp:     1.9044
- => N-sigma of the GoF:      621.173
+ => Rp:  17.7     Rwp:  12.5     Rexp:    3.21 Chi2:  15.2    
+ => Deviance:  0.338E+05     Dev*  :   8.929    
+ => DW-Stat.:    0.3495     DW-exp:     1.8991
+ => N-sigma of the GoF:      620.211
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => N-P+C:  3626
+ => N-P+C:  3636
  =>  R-factors (not corrected for background) for Pattern:  1
- => Rp:  7.51     Rwp:  8.27     Rexp:    2.07 Chi2:  15.9      L.S. refinement
+ => Rp:  7.51     Rwp:  8.27     Rexp:    2.08 Chi2:  15.9      L.S. refinement
  => Conventional Rietveld R-factors for Pattern:  1
  => Rp:  17.5     Rwp:  12.5     Rexp:    3.14 Chi2:  15.9    
- => Deviance:  0.336E+05     Dev*  :   9.257    
- => DW-Stat.:    0.3501     DW-exp:     1.9025
- => N-sigma of the GoF:      634.908
+ => Deviance:  0.336E+05     Dev*  :   9.232    
+ => DW-Stat.:    0.3501     DW-exp:     1.8970
+ => N-sigma of the GoF:      633.890
 
  => Global user-weigthed Chi2 (Bragg contrib.):   15.9    
 
@@ -248,11 +219,11 @@
      -----------------------------------------------------
 
  => Phase:  1     Y5Al3O12 Nuclear
- => Bragg R-factor:   3.99       Vol: 1076.971( 0.000)  Fract(%):  100.00( 0.63)
+ => Bragg R-factor:   3.99       Vol: 1076.971( 0.000)  Fract(%):  100.00( 0.00)
  => Rf-factor=  19.6             ATZ:       17501.770   Brindley:  1.0000
 
  
-              CPU Time:     0.586 seconds
-                            0.010 minutes
+              CPU Time:     0.734 seconds
+                            0.012 minutes
 
- => Run finished at:     Date: 06/06/2026  Time: 23:14:38.508                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:04.985                              
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_1.sub b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_1.sub
index fc081226c..3e8b79749 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_1.sub
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_1.sub
@@ -1,2079 +1,2079 @@
 ! Phase No.:   1 Y5Al3O12 Nuclear              
-   7281.450195        0.0000
-   7286.134277        0.0000
-   7290.821777        0.0000
-   7295.512207        0.0000
-   7300.205566        0.0000
-   7304.901855        0.0000
-   7309.601562        0.0000
-   7314.303711        0.0000
-   7319.009277        0.0000
-   7323.718262        0.0000
-   7328.429688        0.0000
-   7333.144043        0.0000
-   7337.861816        0.0000
-   7342.582520        0.0000
-   7347.306152        0.0000
-   7352.033203        0.0000
-   7356.763184        0.0000
-   7361.496094        0.0000
-   7366.231934        0.0000
-   7370.970703        0.0000
-   7375.712891        0.0000
-   7380.458008        0.0000
-   7385.206055        0.0000
-   7389.957520        0.0000
-   7394.711426        0.0000
-   7399.468750        0.0000
-   7404.229492        0.0000
-   7408.992676        0.0000
-   7413.759277        0.0000
-   7418.528809        0.0000
-   7423.301758        0.0000
-   7428.077637        0.0000
-   7432.856445        0.0000
-   7437.638184        0.0000
-   7442.423340        0.0000
-   7447.211426        0.0000
-   7452.002441        0.0000
-   7456.796875        0.0000
-   7461.594238        0.0000
-   7466.394531        0.0000
-   7471.198242        0.0000
-   7476.004883        0.0000
-   7480.814453        0.0000
-   7485.627441        0.0000
-   7490.443359        0.0000
-   7495.262695        0.0000
-   7500.084473        0.0000
-   7504.910156        0.0000
-   7509.738281        0.0000
-   7514.569824        0.0000
-   7519.404297        0.0000
-   7524.242188        0.0000
-   7529.083008        0.0000
-   7533.926758        0.0000
-   7538.773926        0.0000
-   7543.624023        0.0000
-   7548.477539        0.0000
-   7553.333984        0.0000
-   7558.193359        0.0000
-   7563.056152        0.0000
-   7567.922363        0.0000
-   7572.791016        0.0000
-   7577.663086        0.0000
-   7582.538574        0.0000
-   7587.416992        0.0000
-   7592.298340        0.0000
-   7597.183105        0.0000
-   7602.071289        0.0000
-   7606.961914        0.0000
-   7611.856445        0.0000
-   7616.753418        0.0000
-   7621.653809        0.0000
-   7626.557617        0.0000
-   7631.464355        0.0000
-   7636.374512        0.0000
-   7641.287598        0.0000
-   7646.203613        0.0000
-   7651.123047        0.0000
-   7656.045898        0.0000
-   7660.971680        0.0000
-   7665.900391        0.0000
-   7670.832520        0.0000
-   7675.768066        0.0000
-   7680.706543        0.0000
-   7685.648438        0.0000
-   7690.593262        0.0000
-   7695.541016        0.0000
-   7700.492676        0.0000
-   7705.446777        0.0000
-   7710.404297        0.0000
-   7715.365234        0.0000
-   7720.329590        0.0000
-   7725.296387        0.0000
-   7730.267090        0.0000
-   7735.240723        0.0000
-   7740.217285        0.0000
-   7745.197754        0.0000
-   7750.180664        0.0000
-   7755.167480        0.0000
-   7760.156738        0.0000
-   7765.149902        0.0000
-   7770.145996        0.0000
-   7775.145508        0.0000
-   7780.147949        0.0000
-   7785.153809        0.0000
-   7790.162598        0.0000
-   7795.174805        0.0000
-   7800.190430        0.0000
-   7805.208984        0.0000
-   7810.230957        0.0000
-   7815.256348        0.0000
-   7820.284668        0.0000
-   7825.316406        0.0000
-   7830.351074        0.0000
-   7835.389160        0.0000
-   7840.430664        0.0000
-   7845.475098        0.0000
-   7850.522949        0.0000
-   7855.574219        0.0000
-   7860.628906        0.0000
-   7865.686523        0.0000
-   7870.747070        0.0000
-   7875.811523        0.0000
-   7880.878906        0.0000
-   7885.949707        0.0000
-   7891.023438        0.0000
-   7896.101074        0.0000
-   7901.181152        0.0000
-   7906.265137        0.0000
-   7911.352051        0.0000
-   7916.442383        0.0000
-   7921.536133        0.0000
-   7926.633301        0.0000
-   7931.733398        0.0000
-   7936.836914        0.0000
-   7941.943848        0.0000
-   7947.053711        0.0000
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-   7982.916504        0.0000
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-   7993.192871        0.0000
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-   8024.101074        0.0000
-   8029.264160        0.0000
-   8034.430664        0.0000
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-   8044.773438        0.0000
-   8049.949707        0.0000
-   8055.129395        0.0000
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-   8075.881348        0.0000
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-   8086.277344        0.0000
-   8091.480469        0.0000
-   8096.687012        0.0000
-   8101.896973        0.0000
-   8107.109863        0.0000
-   8112.326660        0.0000
-   8117.546387        0.0000
-   8122.770020        0.0000
-   8127.996582        0.0000
-   8133.226562        0.0000
-   8138.459961        0.0000
-   8143.696289        0.0000
-   8148.936523        0.0000
-   8154.180176        0.0000
-   8159.426758        0.0000
-   8164.677246        0.0000
-   8169.930664        0.0000
-   8175.187988        0.0000
-   8180.448242        0.0000
-   8185.711914        0.0000
-   8190.979004        0.0000
-   8196.250000        0.0000
+   7281.449707        0.0000
+   7286.133789        0.0000
+   7290.821289        0.0000
+   7295.511719        0.0000
+   7300.205078        0.0000
+   7304.901367        0.0000
+   7309.601074        0.0000
+   7314.303223        0.0000
+   7319.008789        0.0000
+   7323.717773        0.0000
+   7328.429199        0.0000
+   7333.143555        0.0000
+   7337.861328        0.0000
+   7342.582031        0.0000
+   7347.305664        0.0000
+   7352.032715        0.0000
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   76804.890625        0.4803
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@@ -3838,51 +3838,51 @@
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-  88728.195312        0.0573
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diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.bac b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.bac
index 741435709..96ca093aa 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.bac
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.bac
@@ -1,2351 +1,2351 @@
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+    95182.9609      266.4954
+    95244.3047      266.4623
+    95305.6875      266.4291
+    95367.1094      266.3959
+    95428.5625      266.3628
+    95490.0625      266.3295
+    95551.6094      266.2963
+    95613.1875      266.2630
+    95674.8047      266.2297
+    95736.4609      266.1964
+    95798.1641      266.1631
+    95859.8984      266.1298
+    95921.6797      266.0964
+    95983.4922      266.0630
+    96045.3516      266.0296
+    96107.2500      265.9962
+    96169.1875      265.9627
+    96231.1641      265.9292
+    96293.1797      265.8957
+    96355.2422      265.8622
+    96417.3359      265.8287
+    96479.4766      265.7951
+    96541.6484      265.7615
+    96603.8672      265.7279
+    96666.1250      265.6943
+    96728.4219      265.6606
+    96790.7656      265.6270
+    96853.1406      265.5933
+    96915.5547      265.5596
+    96978.0156      265.5258
+    97040.5156      265.4921
+    97103.0547      265.4583
+    97165.6328      265.4245
+    97228.2500      265.3907
+    97290.9141      265.3568
+    97353.6172      265.3229
+    97416.3516      265.2891
+    97479.1328      265.2552
+    97541.9609      265.2212
+    97604.8203      265.1873
+    97667.7188      265.1533
+    97730.6641      265.1193
+    97793.6484      265.0853
+    97856.6719      265.0512
+    97919.7422      265.0172
+    97982.8438      264.9831
+    98045.9922      264.9490
+    98109.1797      264.9148
+    98172.4062      264.8807
+    98235.6719      264.8465
+    98298.9844      264.8123
+    98362.3359      264.7781
+    98425.7266      264.7438
+    98489.1562      264.7096
+    98552.6328      264.6753
+    98616.1406      264.6410
+    98679.6953      264.6067
+    98743.2891      264.5723
+    98806.9297      264.5379
+    98870.6094      264.5035
+    98934.3281      264.4691
+    98998.0859      264.4347
+    99061.8828      264.4002
+    99125.7266      264.3658
+    99189.6094      264.3312
+    99253.5312      264.2967
+    99317.5000      264.2621
+    99381.5078      264.2276
+    99445.5547      264.1930
+    99509.6406      264.1584
+    99573.7734      264.1237
+    99637.9453      264.0891
+    99702.1562      264.0544
+    99766.4141      264.0197
+    99830.7109      263.9850
+    99895.0469      263.9502
+    99959.4297      263.9154
+   100023.8438      263.8806
+   100088.3047      263.8458
+   100152.8125      263.8110
+   100217.3594      263.7761
+   100281.9453      263.7412
+   100346.5703      263.7063
+   100411.2422      263.6714
+   100475.9531      263.6364
+   100540.7031      263.6014
+   100605.5000      263.5664
+   100670.3359      263.5314
+   100735.2188      263.4964
+   100800.1406      263.4613
+   100865.1016      263.4262
+   100930.1016      263.3911
+   100995.1484      263.3560
+   101060.2344      263.3208
+   101125.3672      263.2856
+   101190.5391      263.2505
+   101255.7500      263.2152
+   101321.0078      263.1800
+   101386.3047      263.1447
+   101451.6484      263.1094
+   101517.0312      263.0741
+   101582.4531      263.0388
+   101647.9219      263.0034
+   101713.4297      262.9680
+   101778.9766      262.9326
+   101844.5703      262.8972
+   101910.2109      262.8617
+   101975.8828      262.8262
+   102041.6094      262.7907
+   102107.3672      262.7552
    102173.1719      262.7197
    102239.0234      262.6841
    102304.9141      262.6485
    102370.8438      262.6129
-   102436.8203      262.5772
+   102436.8203      262.5773
    102502.8359      262.5416
    102568.8906      262.5059
-   102635.0000      262.4701
-   102701.1406      262.4344
-   102767.3281      262.4210
-   102833.5625      262.4210
-   102899.8281      262.4210
-   102966.1484      262.4210
-   103032.5078      262.4210
-   103098.9062      262.4210
-   103165.3516      262.4210
-   103231.8359      262.4210
-   103298.3672      262.4210
-   103364.9375      262.4210
-   103431.5547      262.4210
+   102635.0000      262.4702
+   102701.1406      262.4345
+   102767.3281      262.4211
+   102833.5625      262.4211
+   102899.8281      262.4211
+   102966.1484      262.4211
+   103032.5078      262.4211
+   103098.9062      262.4211
+   103165.3516      262.4211
+   103231.8359      262.4211
+   103298.3672      262.4211
+   103364.9375      262.4211
+   103431.5547      262.4211
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.prf b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.prf
index c8fdd91d8..70d61ad51 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.prf
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.prf
@@ -1,4176 +1,4176 @@
-YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90.0000   90.0000   SPGR: I 21 3                 TEMP:      0.00
-  1   4122     1.00000     1.00000   -13.88166 20773.12305    -1.08308    1
+YAG highres   Chi2: 15.2493  CELL:   10.25026  10.25026  10.25026   90.0000   90.0000   90.0000   SPGR: I 21 3                 TEMP:      0.00
+  1   4122     1.00000     1.00000   -13.88128 20773.12305    -1.08308    1
   1806     0     2
        0.00000    9000.00000
   104000.00000  300000.00000
  T.O.F.	Yobs	Ycal	Yobs-Ycal	Backg	Posr	(hkl)	K
-   7267.5684	     0.0	   522.6	 -3531.2	   458.4
-   7272.2524	     0.0	   522.6	 -3531.2	   458.4
-   7276.9399	     0.0	   522.6	 -3531.2	   458.4
-   7281.6304	     0.0	   522.6	 -3531.2	   458.4
-   7286.3237	     0.0	   522.6	 -3531.2	   458.4
-   7291.0200	     0.0	   522.6	 -3531.2	   458.4
-   7295.7197	     0.0	   522.6	 -3531.2	   458.4
-   7300.4219	     0.0	   522.6	 -3531.2	   458.4
-   7305.1274	   449.3	   522.6	 -3531.2	   458.4
-   7309.8364	   118.2	   522.6	 -3531.2	   458.4
-   7314.5479	   288.7	   522.6	 -3531.2	   458.4
-   7319.2622	    94.0	   522.6	 -3531.2	   458.4
-   7323.9800	     0.1	   522.6	 -3531.2	   458.4
-   7328.7007	    52.3	   522.6	 -3531.2	   458.4
-   7333.4243	   220.2	   522.6	 -3531.2	   458.4
-   7338.1514	   287.0	   522.6	 -3531.2	   458.4
-   7342.8813	   574.8	   522.6	 -3531.2	   458.4
-   7347.6143	    77.1	   522.6	 -3531.2	   458.4
-   7352.3501	   339.6	   522.6	 -3531.2	   458.4
-   7357.0889	   329.3	   522.6	 -3531.2	   458.4
-   7361.8311	   281.1	   522.6	 -3531.2	   458.4
-   7366.5762	   302.1	   522.6	 -3531.2	   458.4
-   7371.3242	    63.6	   522.6	 -3531.2	   458.4
-   7376.0757	    33.1	   522.6	 -3531.2	   458.4
-   7380.8296	   510.6	   522.6	 -3531.2	   458.4
-   7385.5869	   230.1	   522.6	 -3531.2	   458.4
-   7390.3477	   328.8	   522.6	 -3531.2	   458.4
-   7395.1108	  1203.3	   522.6	 -3531.2	   458.4
-   7399.8774	   907.9	   522.6	 -3531.2	   458.4
-   7404.6470	  1197.2	   522.6	 -3531.2	   458.4
-   7409.4199	  1016.3	   522.6	 -3531.2	   458.4
-   7414.1958	  2240.2	   522.6	 -3531.2	   458.4
-   7418.9746	  1774.3	   522.6	 -3531.2	   458.4
-   7423.7563	  1469.4	   522.6	 -3531.2	   458.4
-   7428.5415	  1636.5	   522.6	 -3531.2	   458.4
-   7433.3296	  2291.8	   522.6	 -3531.2	   458.4
-   7438.1206	  1867.3	   522.6	 -3531.2	   458.4
-   7442.9150	  1677.1	   522.6	 -3531.2	   458.4
-   7447.7124	  1849.2	   522.6	 -3531.2	   458.4
-   7452.5127	  1960.5	   522.6	 -3531.2	   458.4
-   7457.3164	  2537.9	   522.6	 -3531.2	   458.4
-   7462.1230	  2400.6	   522.6	 -3531.2	   458.4
-   7466.9326	  2287.9	   522.6	 -3531.2	   458.4
-   7471.7456	  1519.9	   522.6	 -3531.2	   458.4
-   7476.5615	  1646.7	   522.6	 -3531.2	   458.4
-   7481.3809	  2186.0	   522.6	 -3531.2	   458.4
-   7486.2026	  1701.7	   522.6	 -3531.2	   458.4
-   7491.0283	  1674.7	   522.6	 -3531.2	   458.4
-   7495.8564	  1627.8	   522.6	 -3531.2	   458.4
-   7500.6880	  1146.2	   522.6	 -3531.2	   458.4
-   7505.5225	  1248.9	   522.6	 -3531.2	   458.4
-   7510.3604	  1389.0	   522.6	 -3531.2	   458.4
-   7515.2012	  1701.3	   522.6	 -3531.2	   458.4
-   7520.0449	  1884.1	   522.6	 -3531.2	   458.4
-   7524.8921	  1946.7	   522.6	 -3531.2	   458.4
-   7529.7422	  1590.6	   522.6	 -3531.2	   458.4
-   7534.5957	  1182.2	   522.6	 -3531.2	   458.4
-   7539.4521	  1812.1	   522.6	 -3531.2	   458.4
-   7544.3115	  1926.2	   522.6	 -3531.2	   458.4
-   7549.1743	  1670.1	   522.6	 -3531.2	   458.4
-   7554.0405	  1746.6	   522.6	 -3531.2	   458.4
-   7558.9092	  1641.5	   522.6	 -3531.2	   458.4
-   7563.7812	  1732.6	   522.6	 -3531.2	   458.4
-   7568.6567	  1646.0	   522.6	 -3531.2	   458.4
-   7573.5352	  1522.8	   522.6	 -3531.2	   458.4
-   7578.4165	  1682.9	   522.6	 -3531.2	   458.4
-   7583.3013	  1726.0	   522.6	 -3531.2	   458.4
-   7588.1895	  1662.5	   522.6	 -3531.2	   458.4
-   7593.0801	  1258.3	   522.6	 -3531.2	   458.4
-   7597.9746	  1844.5	   522.6	 -3531.2	   458.4
-   7602.8716	  1663.7	   522.6	 -3531.2	   458.4
-   7607.7720	  1447.6	   522.6	 -3531.2	   458.4
-   7612.6758	  1338.8	   522.6	 -3531.2	   458.4
-   7617.5825	  1302.7	   522.6	 -3531.2	   458.4
-   7622.4927	  1530.1	   522.6	 -3531.2	   458.4
-   7627.4058	  1211.8	   522.6	 -3531.2	   458.4
-   7632.3218	  1002.7	   522.6	 -3531.2	   458.4
-   7637.2412	  1378.0	   522.6	 -3531.2	   458.4
-   7642.1641	  1415.4	   522.6	 -3531.2	   458.4
-   7647.0898	  1779.0	   522.6	 -3531.2	   458.4
-   7652.0186	   939.6	   522.6	 -3531.2	   458.4
-   7656.9507	  1326.4	   522.6	 -3531.2	   458.4
-   7661.8862	  1269.7	   522.6	 -3531.2	   458.4
-   7666.8247	  1126.1	   522.6	 -3531.2	   458.4
-   7671.7666	  1210.1	   522.6	 -3531.2	   458.4
-   7676.7114	  1389.4	   522.6	 -3531.2	   458.4
-   7681.6592	  1531.0	   522.6	 -3531.2	   458.4
-   7686.6108	  1437.3	   522.6	 -3531.2	   458.4
-   7691.5649	  1279.5	   522.6	 -3531.2	   458.4
-   7696.5225	   968.8	   522.6	 -3531.2	   458.4
-   7701.4834	  1269.6	   522.6	 -3531.2	   458.4
-   7706.4478	  1242.3	   522.6	 -3531.2	   458.4
-   7711.4146	  1262.4	   522.6	 -3531.2	   458.4
-   7716.3853	  1489.9	   522.6	 -3531.2	   458.4
-   7721.3589	  1628.6	   522.6	 -3531.2	   458.4
-   7726.3354	  1371.8	   522.6	 -3531.2	   458.4
-   7731.3159	  1290.0	   522.6	 -3531.2	   458.4
-   7736.2988	  1053.2	   522.6	 -3531.2	   458.4
-   7741.2856	  1451.7	   522.6	 -3531.2	   458.4
-   7746.2749	  1272.3	   522.6	 -3531.2	   458.4
-   7751.2681	  1438.6	   522.6	 -3531.2	   458.4
-   7756.2642	  1156.8	   522.6	 -3531.2	   458.4
-   7761.2637	  1230.9	   522.6	 -3531.2	   458.4
-   7766.2661	  1406.0	   522.6	 -3531.2	   458.4
-   7771.2720	  1790.9	   522.6	 -3531.2	   458.4
-   7776.2808	  1543.8	   522.6	 -3531.2	   458.4
-   7781.2930	  1505.1	   522.6	 -3531.2	   458.4
-   7786.3086	  1427.6	   522.6	 -3531.2	   458.4
-   7791.3271	  1278.3	   522.6	 -3531.2	   458.4
-   7796.3491	  1178.9	   522.6	 -3531.2	   458.4
-   7801.3745	  1242.3	   522.6	 -3531.2	   458.4
-   7806.4028	  1421.0	   522.6	 -3531.2	   458.4
-   7811.4346	  1492.9	   522.6	 -3531.2	   458.4
-   7816.4692	   994.7	   522.6	 -3531.2	   458.4
-   7821.5073	   936.3	   522.6	 -3531.2	   458.4
-   7826.5488	  1163.0	   522.6	 -3531.2	   458.4
-   7831.5933	  1482.6	   522.6	 -3531.2	   458.4
-   7836.6411	  1319.8	   522.6	 -3531.2	   458.4
-   7841.6924	  1404.4	   522.6	 -3531.2	   458.4
-   7846.7471	  1359.4	   522.6	 -3531.2	   458.4
-   7851.8047	  1272.6	   522.6	 -3531.2	   458.4
-   7856.8652	  1171.5	   522.6	 -3531.2	   458.4
-   7861.9297	  1548.5	   522.6	 -3531.2	   458.4
-   7866.9971	  1082.6	   522.6	 -3531.2	   458.4
-   7872.0679	   935.8	   522.6	 -3531.2	   458.4
-   7877.1416	  1481.6	   522.6	 -3531.2	   458.4
-   7882.2192	  1051.2	   522.6	 -3531.2	   458.4
-   7887.2993	  1083.7	   522.6	 -3531.2	   458.4
-   7892.3833	   876.9	   522.6	 -3531.2	   458.4
-   7897.4702	  1148.2	   522.6	 -3531.2	   458.4
-   7902.5605	  1076.9	   522.6	 -3531.2	   458.4
-   7907.6543	  1034.0	   522.6	 -3531.2	   458.4
-   7912.7515	  1268.7	   522.6	 -3531.2	   458.4
-   7917.8516	  1331.7	   522.6	 -3531.2	   458.4
-   7922.9551	   922.6	   522.6	 -3531.2	   458.4
-   7928.0620	   727.4	   522.6	 -3531.2	   458.4
-   7933.1719	   829.4	   522.6	 -3531.2	   458.4
-   7938.2852	   974.9	   522.6	 -3531.2	   458.4
-   7943.4019	  1090.1	   522.6	 -3531.2	   458.4
-   7948.5220	  1175.2	   522.6	 -3531.2	   458.4
-   7953.6450	  1343.7	   522.6	 -3531.2	   458.4
-   7958.7715	  1314.5	   522.6	 -3531.2	   458.4
-   7963.9014	  1094.5	   522.6	 -3531.2	   458.4
-   7969.0347	   994.2	   522.6	 -3531.2	   458.4
-   7974.1714	  1087.6	   522.6	 -3531.2	   458.4
-   7979.3110	  1190.6	   522.6	 -3531.2	   458.4
-   7984.4541	  1190.5	   522.6	 -3531.2	   458.4
-   7989.6006	  1268.9	   522.6	 -3531.2	   458.4
-   7994.7500	  1099.8	   522.6	 -3531.2	   458.4
-   7999.9033	  1191.6	   522.6	 -3531.2	   458.4
-   8005.0596	  1055.0	   522.6	 -3531.2	   458.4
-   8010.2192	  1192.6	   522.6	 -3531.2	   458.4
-   8015.3823	  1157.5	   522.6	 -3531.2	   458.4
-   8020.5488	  1410.5	   522.6	 -3531.2	   458.4
-   8025.7183	  1016.5	   522.6	 -3531.2	   458.4
-   8030.8916	  1068.2	   522.6	 -3531.2	   458.4
-   8036.0679	  1263.8	   522.6	 -3531.2	   458.4
-   8041.2476	   960.6	   522.6	 -3531.2	   458.4
-   8046.4307	  1301.1	   522.6	 -3531.2	   458.4
-   8051.6167	  1103.0	   522.6	 -3531.2	   458.4
-   8056.8066	   863.7	   522.6	 -3531.2	   458.4
-   8061.9995	  1066.9	   522.6	 -3531.2	   458.4
-   8067.1958	  1177.3	   522.6	 -3531.2	   458.4
-   8072.3955	   946.7	   522.6	 -3531.2	   458.4
-   8077.5986	  1195.5	   522.6	 -3531.2	   458.4
-   8082.8052	   969.4	   522.6	 -3531.2	   458.4
-   8088.0151	  1223.7	   522.6	 -3531.2	   458.4
-   8093.2280	   870.7	   522.6	 -3531.2	   458.4
-   8098.4448	   944.2	   522.6	 -3531.2	   458.4
-   8103.6646	   883.7	   522.6	 -3531.2	   458.4
-   8108.8882	  1262.2	   522.6	 -3531.2	   458.4
-   8114.1147	  1109.7	   522.6	 -3531.2	   458.4
-   8119.3447	  1139.0	   522.6	 -3531.2	   458.4
-   8124.5781	   832.5	   522.6	 -3531.2	   458.4
-   8129.8145	  1187.0	   522.6	 -3531.2	   458.4
-   8135.0547	  1446.8	   522.6	 -3531.2	   458.4
-   8140.2983	  1324.6	   522.6	 -3531.2	   458.4
-   8145.5449	   987.5	   522.6	 -3531.2	   458.4
-   8150.7954	  1102.6	   522.6	 -3531.2	   458.4
-   8156.0488	  1158.3	   522.6	 -3531.2	   458.4
-   8161.3062	   825.5	   522.6	 -3531.2	   458.4
-   8166.5664	   899.2	   522.6	 -3531.2	   458.4
-   8171.8301	  1002.1	   522.6	 -3531.2	   458.4
-   8177.0972	  1050.4	   522.6	 -3531.2	   458.4
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-  11550.2520	   548.2	   558.2	 -3541.2	   465.5
-  11557.6973	   551.8	   592.2	 -3571.6	   465.6
-  11565.1465	   727.5	   757.4	 -3561.1	   465.8
-  11572.6006	   838.8	   739.0	 -3431.4	   465.9
-  11580.0596	   690.7	   624.3	 -3464.8	   466.0
-  11587.5234	   605.6	   573.4	 -3498.9	   466.2
-  11594.9932	   489.9	   552.7	 -3593.9	   466.3
-  11602.4658	   553.0	   549.5	 -3527.7	   466.4
-  11609.9443	   629.7	   541.1	 -3442.6	   466.5
-  11617.4277	   557.9	   541.3	 -3514.6	   466.7
-  11624.9160	   636.7	   558.8	 -3453.3	   466.8
-  11632.4092	   565.8	   636.7	 -3602.1	   466.9
-  11639.9062	   592.5	   698.8	 -3637.5	   467.1
-  11647.4092	   757.0	   608.5	 -3382.7	   467.2
-  11654.9170	   725.5	   569.5	 -3375.2	   467.3
-  11662.4287	   584.1	   560.6	 -3507.8	   467.5
-  11669.9463	   619.7	   591.2	 -3502.7	   467.6
-  11677.4678	   632.9	   577.1	 -3475.5	   467.7
-  11684.9941	   763.7	   556.9	 -3324.5	   467.8
-  11692.5264	   593.2	   560.3	 -3498.3	   468.0
-  11700.0625	   663.5	   612.7	 -3480.4	   468.1
-  11707.6035	   643.7	   776.8	 -3664.3	   468.2
-  11715.1504	   762.0	   656.8	 -3426.0	   468.4
-  11722.7012	   678.4	   591.5	 -3444.4	   468.5
-  11730.2568	   714.5	   566.2	 -3382.9	   468.6
-  11737.8184	   649.3	   573.3	 -3455.2	   468.7
-  11745.3838	   833.3	   593.6	 -3291.5	   468.9
-  11752.9541	   750.5	   566.9	 -3347.6	   469.0
-  11760.5293	   705.0	   571.2	 -3397.4	   469.1
-  11768.1104	   597.1	   640.6	 -3574.7	   469.3
-  11775.6953	   666.9	   943.7	 -3808.1	   469.4
-  11783.2852	  1105.3	   996.0	 -3422.0	   469.5
-  11790.8799	  1158.2	   756.3	 -3129.4	   469.7
-  11798.4805	   874.3	   663.7	 -3320.6	   469.8
-  11806.0850	   848.8	   698.5	 -3380.9	   469.9
-  11813.6943	   899.7	  1015.8	 -3647.3	   470.1
-  11821.3086	   950.8	   879.2	 -3459.7	   470.2
-  11828.9287	   877.4	   699.0	 -3352.8	   470.3
-  11836.5527	   722.1	   621.4	 -3430.4	   470.4
-  11844.1826	   551.7	   613.4	 -3592.9	   470.6
-  11851.8164	   585.1	   699.7	 -3645.8	   470.7
-  11859.4551	   870.1	   625.3	 -3286.5	   470.8
-  11867.0996	   589.1	   580.6	 -3522.7	   471.0
-  11874.7490	   636.8	   567.6	 -3462.0	   471.1
-  11882.4023	   606.0	   594.5	 -3519.7	   471.2
-  11890.0615	   656.0	   676.4	 -3551.6	   471.4
-  11897.7256	   834.7	   606.7	 -3303.3	   471.5
-  11905.3936	   692.2	   575.1	 -3414.1	   471.6
-  11913.0674	   699.2	   576.4	 -3408.4	   471.8
-  11920.7461	   644.2	   642.9	 -3529.9	   471.9
-  11928.4297	   607.6	   753.6	 -3677.2	   472.0
-  11936.1182	   651.2	   641.5	 -3521.5	   472.2
-  11943.8115	   667.8	   586.9	 -3450.3	   472.3
-  11951.5098	   566.0	   560.8	 -3526.1	   472.4
-  11959.2139	   506.6	   548.7	 -3573.3	   472.6
-  11966.9219	   462.7	   543.8	 -3612.4	   472.7
-  11974.6357	   634.5	   545.3	 -3442.0	   472.8
-  11982.3535	   643.5	   560.8	 -3448.5	   473.0
-  11990.0771	   682.5	   628.0	 -3476.8	   473.1
-  11997.8057	   751.8	   900.6	 -3680.0	   473.2
-  12005.5381	  1152.1	  1093.5	 -3472.6	   473.4
-  12013.2764	  1110.4	   808.1	 -3228.9	   473.5
-  12021.0195	   829.3	   670.4	 -3372.3	   473.6
-  12028.7686	   690.3	   607.8	 -3448.7	   473.8
-  12036.5215	   718.0	   594.3	 -3407.5	   473.9
-  12044.2793	   684.0	   590.2	 -3437.4	   474.0
-  12052.0430	   767.5	   568.4	 -3332.1	   474.2
-  12059.8105	   719.5	   572.1	 -3383.9	   474.3
-  12067.5840	   584.6	   631.4	 -3578.0	   474.4
-  12075.3623	   689.0	   891.2	 -3733.4	   474.6
-  12083.1455	   989.7	  1035.6	 -3577.0	   474.7
-  12090.9336	  1070.5	   787.9	 -3248.7	   474.8
-  12098.7266	   797.8	   680.5	 -3413.9	   475.0
-  12106.5254	   762.8	   685.3	 -3453.8	   475.1
-  12114.3291	   804.1	   919.3	 -3646.5	   475.2
-  12122.1367	   960.1	  1082.2	 -3653.2	   475.4
-  12129.9502	  1196.5	   810.4	 -3145.2	   475.5
-  12137.7686	   943.4	   683.0	 -3270.8	   475.6
-  12145.5918	   718.7	   648.2	 -3460.7	   475.8
-  12153.4209	   693.5	   744.4	 -3582.2	   475.9
-  12161.2539	   756.7	   850.3	 -3624.8	   476.0
-  12169.0928	   784.9	   694.8	 -3441.2	   476.2
-  12176.9365	   742.1	   617.4	 -3406.5	   476.3
-  12184.7852	   734.9	   579.1	 -3375.4	   476.4
-  12192.6387	   577.3	   560.9	 -3514.8	   476.6
-  12200.4980	   644.5	   552.9	 -3439.6	   476.7
-  12208.3613	   520.6	   548.1	 -3558.6	   476.8
-  12216.2305	   700.1	   548.7	 -3379.9	   477.0
-  12224.1045	   613.7	   561.3	 -3478.9	   477.1
-  12231.9834	   546.2	   616.8	 -3601.8	   477.3
-  12239.8682	   700.7	   738.9	 -3569.4	   477.4
-  12247.7568	   751.7	   644.5	 -3424.0	   477.5
-  12255.6514	   572.7	   594.2	 -3552.7	   477.7
-  12263.5508	   613.9	   570.5	 -3487.9	   477.8
-  12271.4551	   698.4	   565.2	 -3398.0	   477.9
-  12279.3652	   563.7	   582.1	 -3549.6	   478.1
-  12287.2803	   599.5	   565.2	 -3496.9	   478.2
-  12295.2002	   509.7	   555.1	 -3576.6	   478.3
-  12303.1250	   620.5	   553.1	 -3463.7	   478.5
-  12311.0547	   606.3	   564.2	 -3489.1	   478.6
-  12318.9902	   672.0	   615.9	 -3475.1	   478.8
-  12326.9297	   691.8	   598.6	 -3438.1	   478.9
-  12334.8750	   574.4	   575.5	 -3532.3	   479.0
-  12342.8262	   575.5	   575.7	 -3531.4	   479.2
-  12350.7812	   641.7	   623.6	 -3513.1	   479.3
-  12358.7422	   649.7	   839.5	 -3721.1	   479.4
-  12366.7080	   865.1	   889.2	 -3555.4	   479.6
-  12374.6797	   798.9	   723.4	 -3455.6	   479.7
-  12382.6553	   664.7	   645.1	 -3511.6	   479.8
-  12390.6367	   680.8	   632.3	 -3482.7	   480.0
-  12398.6230	   698.0	   735.4	 -3568.6	   480.1
-  12406.6152	   777.6	   894.5	 -3648.2	   480.3
-  12414.6113	   778.4	   726.5	 -3479.3	   480.4
-  12422.6133	   691.3	   639.3	 -3479.3	   480.5
-  12430.6201	   731.2	   596.8	 -3396.9	   480.7
-  12438.6328	   662.5	   584.6	 -3453.3	   480.8
-  12446.6504	   663.5	   606.9	 -3474.7	   480.9
-  12454.6729	   703.8	   582.3	 -3409.8	   481.1
-  12462.7002	   650.8	   571.0	 -3451.5	   481.2
-  12470.7334	   553.1	   584.4	 -3562.6	   481.4
-  12478.7715	   517.0	   668.6	 -3682.8	   481.5
-  12486.8145	   720.5	  1018.4	 -3829.1	   481.6
-  12494.8633	  1054.5	  1012.6	 -3489.4	   481.8
-  12502.9170	  1152.0	   791.9	 -3171.1	   481.9
-  12510.9756	   790.1	   682.9	 -3424.0	   482.1
-  12519.0391	   766.7	   651.2	 -3415.8	   482.2
-  12527.1084	   802.6	   735.8	 -3464.4	   482.3
-  12535.1826	   745.7	   889.5	 -3675.0	   482.5
-  12543.2627	   796.9	   730.1	 -3464.4	   482.6
-  12551.3477	   679.1	   650.7	 -3502.8	   482.8
-  12559.4375	   694.1	   631.7	 -3468.8	   482.9
-  12567.5322	   761.7	   712.4	 -3481.9	   483.0
-  12575.6328	   832.7	  1078.2	 -3776.7	   483.2
-  12583.7393	   909.1	   914.6	 -3536.7	   483.3
-  12591.8496	   844.3	   741.6	 -3428.5	   483.4
-  12599.9658	   715.4	   650.2	 -3466.1	   483.6
-  12608.0869	   567.4	   602.0	 -3565.9	   483.7
-  12616.2139	   619.8	   576.7	 -3488.1	   483.9
-  12624.3457	   645.7	   563.5	 -3449.0	   484.0
-  12632.4824	   713.2	   557.0	 -3375.0	   484.1
-  12640.6250	   657.4	   555.4	 -3429.2	   484.3
-  12648.7725	   563.7	   561.7	 -3529.3	   484.4
-  12656.9258	   563.0	   593.6	 -3561.9	   484.6
-  12665.0840	   637.0	   705.0	 -3599.2	   484.7
-  12673.2471	   701.3	   650.9	 -3480.8	   484.8
-  12681.4150	   745.6	   604.2	 -3389.8	   485.0
-  12689.5898	   599.1	   580.9	 -3513.0	   485.1
-  12697.7686	   640.7	   574.9	 -3465.4	   485.3
-  12705.9531	   585.5	   597.5	 -3543.2	   485.4
-  12714.1426	   604.0	   621.0	 -3548.3	   485.6
-  12722.3379	   697.2	   590.4	 -3424.5	   485.7
-  12730.5381	   477.5	   580.5	 -3634.2	   485.8
-  12738.7432	   590.5	   601.2	 -3541.9	   486.0
-  12746.9541	   671.6	   716.7	 -3576.3	   486.1
-  12755.1699	   803.9	  1162.0	 -3889.2	   486.3
-  12763.3916	  1056.6	  1009.6	 -3484.3	   486.4
-  12771.6182	   859.1	   800.1	 -3472.2	   486.5
-  12779.8506	   640.3	   689.7	 -3580.5	   486.7
-  12788.0879	   602.3	   641.8	 -3570.7	   486.8
-  12796.3301	   488.0	   663.1	 -3706.3	   487.0
-  12804.5781	   682.1	   744.6	 -3593.8	   487.1
-  12812.8311	   776.3	   659.0	 -3413.9	   487.3
-  12821.0898	   666.4	   613.3	 -3478.2	   487.4
-  12829.3535	   639.1	   598.2	 -3490.2	   487.5
-  12837.6230	   653.5	   628.7	 -3506.4	   487.7
-  12845.8975	   701.1	   799.9	 -3630.0	   487.8
-  12854.1777	   875.7	   844.1	 -3499.6	   488.0
-  12862.4629	   801.1	   712.8	 -3442.9	   488.1
-  12870.7529	   627.7	   643.2	 -3546.7	   488.2
-  12879.0488	   561.2	   613.8	 -3583.8	   488.4
-  12887.3506	   589.5	   632.4	 -3574.1	   488.5
-  12895.6572	   779.7	   763.7	 -3515.2	   488.7
-  12903.9688	   794.1	   700.8	 -3437.9	   488.8
-  12912.2861	   634.6	   636.2	 -3532.8	   489.0
-  12920.6094	   584.2	   605.7	 -3552.8	   489.1
-  12928.9375	   575.5	   609.3	 -3565.1	   489.2
-  12937.2705	   482.0	   692.7	 -3741.9	   489.4
-  12945.6094	   679.2	   898.2	 -3750.3	   489.5
-  12953.9531	   685.8	   751.8	 -3597.2	   489.7
-  12962.3027	   569.7	   663.6	 -3625.1	   489.8
-  12970.6582	   553.7	   614.9	 -3592.5	   490.0
-  12979.0186	   530.7	   588.3	 -3588.8	   490.1
-  12987.3838	   566.1	   574.8	 -3539.9	   490.3
-  12995.7549	   489.3	   568.4	 -3610.3	   490.4
-  13004.1318	   518.1	   564.2	 -3577.3	   490.5
-  13012.5137	   587.8	   567.2	 -3510.7	   490.7
-  13020.9004	   584.1	   590.4	 -3537.4	   490.8
-  13029.2930	   545.0	   688.7	 -3674.9	   491.0
-  13037.6914	   765.4	  1084.1	 -3849.9	   491.1
-  13046.0947	  1166.0	  1220.5	 -3585.7	   491.3
-  13054.5039	  1233.6	   928.8	 -3226.4	   491.4
-  13062.9180	   854.5	   767.1	 -3443.9	   491.6
-  13071.3379	   647.0	   684.0	 -3568.2	   491.7
-  13079.7627	   619.4	   666.7	 -3578.6	   491.8
-  13088.1934	   573.5	   771.5	 -3729.2	   492.0
-  13096.6299	   759.7	   751.4	 -3522.9	   492.1
-  13105.0713	   692.1	   666.7	 -3505.9	   492.3
-  13113.5186	   657.0	   620.5	 -3494.7	   492.4
-  13121.9707	   558.3	   600.0	 -3572.9	   492.6
-  13130.4287	   582.1	   610.3	 -3559.5	   492.7
-  13138.8916	   646.1	   698.2	 -3583.4	   492.9
-  13147.3604	   650.3	   672.6	 -3553.6	   493.0
-  13155.8350	   594.6	   623.8	 -3560.5	   493.2
-  13164.3145	   576.9	   599.6	 -3553.9	   493.3
-  13172.7998	   533.2	   599.2	 -3597.2	   493.4
-  13181.2900	   578.7	   652.3	 -3604.8	   493.6
-  13189.7861	   728.9	   875.7	 -3678.1	   493.7
-  13198.2871	   822.8	   805.5	 -3513.9	   493.9
-  13206.7949	   715.7	   699.8	 -3515.3	   494.0
-  13215.3066	   683.3	   641.4	 -3489.4	   494.2
-  13223.8252	   514.5	   615.6	 -3632.4	   494.3
-  13232.3486	   535.9	   630.4	 -3625.8	   494.5
-  13240.8779	   595.4	   745.6	 -3681.4	   494.6
-  13249.4121	   571.1	   702.3	 -3662.5	   494.8
-  13257.9521	   599.2	   641.5	 -3573.6	   494.9
-  13266.4971	   522.8	   607.8	 -3616.3	   495.1
-  13275.0488	   473.1	   592.8	 -3650.9	   495.2
-  13283.6045	   541.6	   600.9	 -3590.6	   495.4
-  13292.1670	   547.1	   668.0	 -3652.1	   495.5
-  13300.7344	   653.6	   649.0	 -3526.6	   495.6
-  13309.3076	   635.5	   612.3	 -3507.9	   495.8
-  13317.8857	   612.0	   511.5	 -3430.7	   413.5
-  13326.4697	   514.9	   512.4	 -3528.7	   413.9
-  13335.0596	   608.2	   557.6	 -3480.6	   414.3
-  13343.6553	   676.8	   756.9	 -3611.4	   414.6
-  13352.2559	   749.2	   751.1	 -3533.1	   415.0
-  13360.8623	   806.0	   637.1	 -3362.3	   415.4
-  13369.4736	   643.2	   571.2	 -3459.2	   415.8
-  13378.0908	   610.5	   533.2	 -3453.9	   416.2
-  13386.7139	   561.3	   511.3	 -3481.3	   416.6
-  13395.3428	   551.3	   498.9	 -3478.9	   417.0
-  13403.9766	   558.0	   492.1	 -3465.3	   417.3
-  13412.6162	   635.3	   489.0	 -3384.9	   417.7
-  13421.2617	   506.6	   490.1	 -3514.7	   418.1
-  13429.9121	   490.8	   502.2	 -3542.6	   418.5
-  13438.5684	   602.9	   554.0	 -3482.3	   418.9
-  13447.2305	   648.2	   762.5	 -3645.5	   419.3
-  13455.8975	   953.2	   994.2	 -3572.2	   419.7
-  13464.5703	  1034.4	   784.8	 -3281.6	   420.1
-  13473.2490	   683.7	   662.7	 -3510.3	   420.5
-  13481.9336	   514.8	   597.7	 -3614.1	   420.8
-  13490.6240	   589.7	   584.8	 -3526.3	   421.2
-  13499.3193	   550.3	   677.5	 -3658.3	   421.6
-  13508.0205	   703.8	   940.7	 -3768.1	   422.0
-  13516.7266	   896.4	   767.0	 -3401.8	   422.4
-  13525.4385	   734.8	   653.3	 -3449.7	   422.8
-  13534.1572	   645.5	   590.4	 -3476.1	   423.2
-  13542.8799	   543.3	   568.9	 -3556.9	   423.6
-  13551.6094	   573.4	   617.8	 -3575.6	   424.0
-  13560.3438	   699.2	   866.8	 -3698.8	   424.4
-  13569.0850	   829.4	   788.1	 -3490.0	   424.8
-  13577.8311	   726.8	   666.7	 -3471.1	   425.1
-  13586.5820	   690.9	   595.6	 -3435.9	   425.5
-  13595.3398	   603.0	   556.6	 -3484.8	   425.9
-  13604.1025	   516.7	   545.2	 -3559.7	   426.3
-  13612.8711	   611.1	   584.2	 -3504.3	   426.7
-  13621.6455	   671.9	   607.4	 -3466.7	   427.1
-  13630.4248	   686.9	   561.2	 -3405.5	   427.5
-  13639.2109	   585.9	   534.9	 -3480.2	   427.9
-  13648.0020	   567.1	   523.9	 -3488.0	   428.3
-  13656.7988	   530.5	   535.3	 -3536.0	   428.7
-  13665.6016	   551.7	   613.3	 -3592.7	   429.1
-  13674.4102	   658.8	   818.2	 -3690.6	   429.5
-  13683.2236	   856.0	   699.8	 -3375.1	   429.9
-  13692.0430	   647.3	   617.6	 -3501.5	   430.3
-  13700.8682	   621.1	   568.5	 -3478.6	   430.7
-  13709.6992	   478.4	   539.3	 -3592.2	   431.1
-  13718.5361	   589.3	   522.0	 -3463.9	   431.5
-  13727.3779	   605.5	   511.8	 -3437.6	   431.9
-  13736.2266	   526.4	   506.0	 -3510.8	   432.3
-  13745.0801	   502.3	   503.0	 -3531.8	   432.7
-  13753.9395	   580.3	   502.5	 -3453.4	   433.1
-  13762.8047	   534.5	   507.0	 -3503.8	   433.4
-  13771.6758	   471.9	   528.6	 -3587.9	   433.8
-  13780.5527	   517.3	   616.0	 -3629.8	   434.2
-  13789.4346	   780.1	   808.3	 -3559.4	   434.6
-  13798.3223	   802.4	   693.7	 -3422.5	   435.0
-  13807.2168	   604.8	   617.6	 -3544.0	   435.4
-  13816.1162	   594.5	   572.5	 -3509.3	   435.8
-  13825.0215	   567.1	   548.8	 -3512.9	   436.2
-  13833.9326	   492.7	   548.3	 -3586.8	   436.6
-  13842.8486	   559.9	   601.7	 -3573.0	   437.0
-  13851.7715	   635.3	   612.8	 -3508.8	   437.4
-  13860.6992	   591.8	   570.1	 -3509.6	   437.8
-  13869.6338	   538.8	   545.8	 -3538.2	   438.2
-  13878.5732	   543.2	   537.1	 -3525.1	   438.6
-  13887.5186	   490.8	   555.5	 -3595.9	   439.0
-  13896.4697	   543.5	   660.6	 -3648.3	   439.4
-  13905.4268	   789.7	   995.2	 -3736.7	   439.9
-  13914.3896	  1018.8	   846.3	 -3358.7	   440.3
-  13923.3584	   865.9	   713.9	 -3379.2	   440.7
-  13932.3330	   627.4	   633.1	 -3536.9	   441.1
-  13941.3135	   579.0	   584.1	 -3536.3	   441.5
-  13950.2988	   551.6	   555.1	 -3534.7	   441.9
-  13959.2910	   497.9	   541.0	 -3574.4	   442.3
-  13968.2881	   512.8	   535.6	 -3554.0	   442.7
-  13977.2920	   501.1	   525.5	 -3555.6	   443.1
-  13986.3008	   570.7	   521.0	 -3481.6	   443.5
-  13995.3154	   550.0	   525.1	 -3506.2	   443.9
-  14004.3359	   534.0	   553.8	 -3551.0	   444.3
-  14013.3633	   640.9	   675.5	 -3565.8	   444.7
-  14022.3955	   853.2	  1159.1	 -3837.1	   445.1
-  14031.4336	  1277.0	  1298.0	 -3552.2	   445.5
-  14040.4775	  1275.8	   997.6	 -3253.0	   445.9
-  14049.5273	   853.8	   812.8	 -3490.2	   446.3
-  14058.5830	   706.4	   702.2	 -3527.0	   446.7
-  14067.6445	   617.2	   647.7	 -3561.6	   447.1
-  14076.7119	   576.3	   668.4	 -3623.3	   447.5
-  14085.7852	   717.3	   877.0	 -3690.9	   447.9
-  14094.8643	   941.1	   815.8	 -3406.0	   448.4
-  14103.9492	   805.1	   701.3	 -3427.5	   448.8
-  14113.0400	   624.1	   630.8	 -3537.9	   449.2
-  14122.1367	   592.6	   588.8	 -3527.5	   449.6
-  14131.2393	   519.1	   569.5	 -3581.6	   450.0
-  14140.3477	   537.0	   583.5	 -3577.8	   450.4
-  14149.4619	   741.8	   669.4	 -3458.9	   450.8
-  14158.5820	   716.4	   625.4	 -3440.1	   451.2
-  14167.7080	   643.2	   584.4	 -3472.4	   451.6
-  14176.8398	   590.7	   559.0	 -3499.6	   452.0
-  14185.9775	   506.5	   543.4	 -3568.1	   452.4
-  14195.1211	   518.9	   534.0	 -3546.4	   452.9
-  14204.2705	   548.1	   529.1	 -3512.2	   453.3
-  14213.4258	   515.2	   528.2	 -3544.2	   453.7
-  14222.5869	   464.3	   525.2	 -3592.2	   454.1
-  14231.7549	   543.3	   524.1	 -3512.0	   454.5
-  14240.9277	   561.7	   526.7	 -3496.3	   454.9
-  14250.1064	   558.1	   541.1	 -3514.2	   455.3
-  14259.2920	   599.8	   600.0	 -3531.4	   455.7
-  14268.4824	   665.1	   835.1	 -3701.3	   456.1
-  14277.6797	  1105.2	  1420.3	 -3846.3	   456.6
-  14286.8818	  1404.4	  1124.6	 -3251.4	   457.0
-  14296.0908	  1047.9	   902.2	 -3385.5	   457.4
-  14305.3057	   743.7	   762.0	 -3549.5	   457.8
-  14314.5264	   719.0	   673.7	 -3486.0	   458.2
-  14323.7520	   611.0	   618.2	 -3538.4	   458.6
-  14332.9844	   545.6	   583.3	 -3568.9	   459.0
-  14342.2236	   587.7	   561.5	 -3505.1	   459.5
-  14351.4678	   545.2	   548.1	 -3534.1	   459.9
-  14360.7178	   520.9	   540.2	 -3550.6	   460.3
-  14369.9746	   542.8	   537.3	 -3525.6	   460.7
-  14379.2363	   566.1	   542.8	 -3507.9	   461.1
-  14388.5049	   521.2	   575.0	 -3585.1	   461.5
-  14397.7783	   682.7	   709.2	 -3557.7	   461.9
-  14407.0586	   886.9	  1125.1	 -3769.4	   462.4
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-  14425.6367	   849.6	   807.4	 -3489.1	   463.2
-  14434.9355	   574.2	   707.0	 -3664.0	   463.6
-  14444.2393	   593.6	   645.6	 -3583.2	   464.0
-  14453.5498	   597.1	   616.1	 -3550.2	   464.5
-  14462.8652	   641.8	   635.4	 -3524.7	   464.9
-  14472.1875	   777.3	   782.5	 -3536.4	   465.3
-  14481.5156	   818.6	   744.7	 -3457.3	   465.7
-  14490.8496	   741.1	   668.0	 -3458.1	   466.1
-  14500.1904	   675.7	   619.4	 -3475.0	   466.5
-  14509.5361	   543.2	   590.2	 -3578.2	   467.0
-  14518.8887	   561.9	   578.3	 -3547.6	   467.4
-  14528.2471	   573.1	   597.5	 -3555.6	   467.8
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-  14556.3574	   661.8	   673.8	 -3543.3	   469.1
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-  14584.5225	   558.0	   581.3	 -3554.5	   470.3
-  14593.9229	   553.2	   596.3	 -3574.3	   470.8
-  14603.3301	   668.8	   698.6	 -3561.0	   471.2
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-  14650.4541	   559.5	   596.0	 -3567.8	   473.3
-  14659.8965	   582.7	   583.2	 -3531.7	   473.7
-  14669.3457	   585.1	   597.1	 -3543.2	   474.1
-  14678.8008	   662.3	   674.1	 -3543.0	   474.6
-  14688.2627	   687.2	   642.2	 -3486.2	   475.0
-  14697.7295	   614.3	   606.5	 -3523.5	   475.4
-  14707.2031	   563.2	   583.6	 -3551.6	   475.8
-  14716.6826	   539.8	   568.9	 -3560.3	   476.3
-  14726.1689	   512.1	   560.2	 -3579.3	   476.7
-  14735.6602	   558.8	   557.2	 -3529.6	   477.1
-  14745.1582	   542.3	   565.2	 -3554.1	   477.5
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-  14764.1729	   543.9	   561.2	 -3548.5	   478.4
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-  14802.2744	   564.0	   619.1	 -3586.3	   480.1
-  14811.8154	   692.9	   829.8	 -3668.2	   480.5
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-  14850.0410	   795.4	   837.3	 -3573.2	   482.2
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-  14869.1904	   588.6	   681.0	 -3623.6	   483.1
-  14878.7744	   581.9	   664.3	 -3613.6	   483.5
-  14888.3643	   698.9	   738.6	 -3570.9	   484.0
-  14897.9609	   789.3	   815.6	 -3557.5	   484.4
-  14907.5635	   835.1	   725.4	 -3421.5	   484.8
-  14917.1719	   647.6	   665.4	 -3549.1	   484.7
-  14926.7871	   611.4	   626.5	 -3546.3	   484.5
-  14936.4082	   603.4	   603.7	 -3531.6	   484.4
-  14946.0352	   640.9	   600.1	 -3490.4	   484.3
-  14955.6689	   654.8	   643.0	 -3519.4	   484.2
-  14965.3086	   725.2	   836.0	 -3641.9	   484.1
-  14974.9541	   933.6	   820.1	 -3417.7	   484.0
-  14984.6064	   852.1	   728.4	 -3407.5	   483.9
-  14994.2656	   725.0	   667.9	 -3474.2	   483.8
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-  15013.6006	   565.9	   608.4	 -3573.8	   483.5
-  15023.2773	   574.3	   615.1	 -3572.0	   483.4
-  15032.9609	   654.2	   700.2	 -3577.2	   483.3
-  15042.6504	   822.4	   958.1	 -3666.9	   483.2
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-  15062.0488	   794.7	   747.0	 -3483.5	   483.0
-  15071.7568	   651.0	   681.1	 -3561.3	   482.9
-  15081.4717	   552.2	   640.2	 -3619.2	   482.8
-  15091.1924	   531.5	   624.6	 -3624.3	   482.6
-  15100.9189	   671.1	   660.5	 -3520.6	   482.5
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-  15149.6484	   898.2	   761.2	 -3394.2	   482.0
-  15159.4141	   981.1	   691.2	 -3241.3	   481.9
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-  15178.9619	   704.7	   635.1	 -3461.6	   481.6
-  15188.7461	   791.3	   687.8	 -3427.8	   481.5
-  15198.5361	   890.1	   765.1	 -3406.3	   481.4
-  15208.3320	   803.3	   694.0	 -3422.0	   481.3
-  15218.1348	   660.2	   645.8	 -3516.9	   481.2
-  15227.9434	   628.3	   615.4	 -3518.3	   481.1
-  15237.7588	   622.1	   602.6	 -3511.7	   480.9
-  15247.5801	   628.8	   624.4	 -3526.8	   480.8
-  15257.4082	   702.8	   759.2	 -3587.6	   480.7
-  15267.2422	  1182.1	  1324.0	 -3673.2	   480.6
-  15277.0830	  2185.5	  1944.7	 -3290.4	   480.5
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-  15296.7832	  1203.4	  1186.6	 -3514.4	   480.3
-  15306.6426	   954.4	   978.5	 -3555.4	   480.1
-  15316.5088	   755.0	   839.3	 -3615.5	   480.0
-  15326.3809	   654.9	   750.7	 -3627.0	   479.9
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-  15346.1445	   766.7	   773.2	 -3537.7	   479.7
-  15356.0361	   880.7	   879.2	 -3529.7	   479.6
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-  15375.8379	   731.8	   698.9	 -3498.3	   479.3
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-  15455.3018	   668.3	   630.9	 -3493.8	   478.4
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-  15485.2070	   540.3	   570.2	 -3561.1	   478.1
-  15495.1875	   576.1	   561.2	 -3516.3	   478.0
-  15505.1748	   596.5	   555.0	 -3489.7	   477.8
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-  15535.1768	   560.8	   545.9	 -3516.4	   477.5
-  15545.1895	   591.1	   545.0	 -3485.1	   477.4
-  15555.2090	   575.3	   545.7	 -3501.6	   477.3
-  15565.2354	   522.6	   551.6	 -3560.3	   477.2
-  15575.2686	   517.1	   577.5	 -3591.6	   477.0
-  15585.3076	   688.5	   680.9	 -3523.6	   476.9
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-  15665.8535	   577.9	   635.2	 -3588.6	   476.0
-  15675.9512	   731.2	   707.0	 -3507.0	   475.9
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-  15696.1650	   870.4	   747.0	 -3407.8	   475.6
-  15706.2822	   707.7	   683.2	 -3506.7	   475.5
-  15716.4062	   593.9	   640.1	 -3577.4	   475.4
-  15726.5361	   597.6	   614.3	 -3547.8	   475.3
-  15736.6729	   634.8	   612.1	 -3508.5	   475.2
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-  15889.5088	   997.4	  1057.1	 -3591.0	   473.4
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-  15961.3389	  1161.6	   997.8	 -3367.4	   472.6
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-  16012.8447	   656.5	   616.2	 -3490.9	   472.0
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-  16033.4941	   677.7	   610.9	 -3464.5	   471.7
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-  16064.5176	   556.2	   567.7	 -3542.7	   471.4
-  16074.8721	   576.0	   559.3	 -3514.5	   471.3
-  16085.2324	   617.9	   557.1	 -3470.4	   471.1
-  16095.6006	   618.5	   570.3	 -3483.0	   471.0
-  16105.9746	   640.0	   637.3	 -3528.5	   470.9
-  16116.3564	   877.3	   911.6	 -3565.5	   470.8
-  16126.7441	  1760.6	  1826.9	 -3597.6	   470.7
-  16137.1387	  2341.5	  1678.3	 -2868.0	   470.5
-  16147.5400	  1539.4	  1343.1	 -3334.9	   470.4
-  16157.9482	   952.0	  1106.0	 -3685.2	   470.3
-  16168.3623	   799.1	   938.3	 -3670.5	   470.2
-  16178.7842	   730.1	   819.8	 -3620.9	   470.0
-  16189.2119	   653.5	   736.4	 -3614.2	   469.9
-  16199.6465	   625.3	   679.1	 -3585.1	   469.8
-  16210.0889	   638.0	   645.2	 -3538.4	   469.7
-  16220.5371	   633.0	   641.7	 -3539.9	   469.6
-  16230.9922	   661.7	   615.9	 -3485.4	   469.4
-  16241.4531	   623.4	   591.8	 -3499.6	   469.3
-  16251.9219	   621.4	   574.8	 -3484.6	   469.2
-  16262.3975	   635.5	   563.3	 -3459.0	   469.1
-  16272.8789	   585.7	   557.3	 -3502.8	   469.0
-  16283.3682	   576.2	   561.6	 -3516.6	   468.8
-  16293.8633	   571.0	   598.0	 -3558.2	   468.7
-  16304.3662	   776.9	   754.9	 -3509.3	   468.6
-  16314.8750	  1326.5	  1310.0	 -3514.8	   468.5
-  16325.3906	  1675.6	  1273.5	 -3129.1	   468.4
-  16335.9131	  1164.0	  1060.8	 -3428.0	   468.2
-  16346.4424	   768.1	   909.1	 -3672.2	   468.1
-  16356.9785	   664.4	   801.0	 -3667.9	   468.0
-  16367.5215	   653.7	   724.4	 -3601.9	   467.9
-  16378.0713	   678.1	   671.7	 -3524.9	   467.7
-  16388.6289	   684.9	   642.3	 -3488.6	   467.6
-  16399.1914	   667.1	   653.0	 -3517.1	   467.5
-  16409.7617	   844.8	   780.6	 -3467.1	   467.4
-  16420.3379	   978.1	   814.3	 -3367.4	   467.3
-  16430.9219	   811.5	   733.8	 -3453.5	   467.1
-  16441.5137	   626.3	   676.2	 -3581.0	   467.0
-  16452.1113	   613.5	   635.0	 -3552.7	   466.9
-  16462.7148	   596.9	   605.7	 -3539.9	   466.5
-  16473.3262	   608.2	   586.3	 -3509.3	   466.1
-  16483.9434	   571.7	   579.3	 -3538.8	   465.7
-  16494.5684	   599.0	   601.6	 -3533.8	   465.3
-  16505.2012	   716.3	   724.6	 -3539.6	   464.9
-  16515.8398	   982.6	   895.3	 -3443.9	   464.5
-  16526.4844	   931.3	   794.8	 -3394.7	   464.0
-  16537.1367	   732.3	   719.6	 -3518.5	   463.6
-  16547.7949	   642.7	   665.5	 -3554.0	   463.2
-  16558.4609	   594.3	   627.2	 -3564.1	   462.8
-  16569.1348	   622.0	   602.2	 -3511.5	   462.4
-  16579.8145	   550.6	   594.8	 -3575.4	   462.0
-  16590.5000	   608.8	   631.0	 -3553.4	   461.5
-  16601.1934	   813.9	   820.2	 -3537.5	   461.1
-  16611.8945	  1417.6	  1445.9	 -3559.5	   460.7
-  16622.6016	  1704.2	  1328.6	 -3155.6	   460.3
-  16633.3164	  1131.2	  1104.8	 -3504.9	   459.9
-  16644.0371	   799.1	   943.1	 -3675.2	   459.4
-  16654.7656	   690.7	   826.3	 -3666.8	   459.0
-  16665.5000	   645.9	   742.4	 -3627.8	   458.6
-  16676.2422	   627.6	   684.3	 -3587.9	   458.2
-  16686.9902	   593.6	   652.0	 -3589.6	   457.8
-  16697.7461	   652.9	   667.2	 -3545.6	   457.3
-  16708.5098	   812.8	   828.9	 -3547.3	   456.9
-  16719.2793	  1140.0	  1018.1	 -3409.3	   456.5
-  16730.0547	  1108.1	   883.2	 -3306.3	   456.1
-  16740.8379	   775.5	   782.9	 -3538.7	   455.6
-  16751.6289	   648.2	   710.2	 -3593.2	   455.2
-  16762.4258	   689.0	   657.4	 -3499.6	   454.8
-  16773.2305	   607.4	   619.6	 -3543.4	   454.4
-  16784.0410	   608.8	   594.3	 -3516.7	   453.9
-  16794.8594	   584.1	   584.4	 -3531.5	   453.5
-  16805.6855	   616.7	   610.8	 -3525.3	   453.1
-  16816.5176	   749.1	   749.7	 -3531.8	   452.7
-  16827.3574	   835.1	   756.9	 -3453.0	   452.3
-  16838.2031	   727.2	   691.1	 -3495.2	   451.8
-  16849.0566	   626.4	   643.1	 -3547.9	   451.4
-  16859.9160	   596.2	   608.2	 -3543.2	   451.0
-  16870.7832	   558.9	   583.3	 -3555.6	   450.5
-  16881.6562	   555.0	   567.5	 -3543.7	   450.1
-  16892.5391	   514.9	   565.7	 -3582.0	   449.7
-  16903.4258	   555.2	   602.2	 -3578.3	   449.3
-  16914.3223	   782.2	   777.5	 -3526.6	   448.8
-  16925.2246	  1380.3	  1309.2	 -3460.0	   448.4
-  16936.1328	  1582.2	  1186.0	 -3135.0	   448.0
-  16947.0488	  1096.3	  1004.5	 -3439.5	   447.6
-  16957.9727	   769.6	   871.6	 -3633.2	   447.1
-  16968.9023	   635.0	   774.3	 -3670.5	   446.7
-  16979.8398	   580.3	   703.0	 -3653.9	   446.3
-  16990.7852	   585.7	   650.7	 -3596.2	   445.8
-  17001.7363	   582.4	   612.4	 -3561.2	   445.4
-  17012.6953	   506.9	   584.3	 -3608.6	   445.0
-  17023.6602	   541.6	   563.6	 -3553.2	   444.6
-  17034.6328	   555.4	   548.4	 -3524.2	   444.1
-  17045.6133	   512.9	   537.1	 -3555.5	   443.7
-  17056.5996	   537.8	   528.8	 -3522.2	   443.3
-  17067.5938	   487.1	   522.6	 -3566.8	   442.8
-  17078.5938	   517.5	   518.1	 -3531.8	   442.4
-  17089.6035	   535.8	   514.9	 -3510.3	   442.0
-  17100.6172	   508.1	   513.5	 -3536.6	   441.5
-  17111.6406	   537.2	   516.3	 -3510.2	   441.1
-  17122.6699	   568.5	   533.6	 -3496.3	   440.7
-  17133.7070	   622.2	   606.2	 -3515.3	   440.2
-  17144.7500	   786.1	   794.8	 -3539.9	   439.8
-  17155.8008	   821.1	   738.7	 -3448.9	   439.4
-  17166.8574	   709.9	   676.5	 -3497.8	   438.9
-  17177.9238	   577.4	   630.5	 -3584.4	   438.5
-  17188.9961	   536.4	   596.5	 -3591.4	   438.1
-  17200.0742	   537.8	   571.6	 -3565.0	   437.6
-  17211.1602	   490.6	   553.8	 -3594.5	   437.2
-  17222.2539	   473.0	   543.6	 -3601.8	   436.8
-  17233.3555	   490.1	   547.7	 -3588.8	   436.3
-  17244.4629	   571.7	   596.3	 -3555.8	   435.9
-  17255.5781	   740.6	   768.4	 -3559.0	   435.5
-  17266.7012	   792.8	   740.2	 -3478.7	   435.0
-  17277.8301	   659.9	   677.2	 -3548.5	   434.6
-  17288.9668	   521.7	   630.4	 -3639.9	   434.2
-  17300.1094	   527.8	   595.8	 -3599.3	   433.7
-  17311.2598	   538.2	   570.8	 -3563.7	   433.3
-  17322.4180	   527.8	   554.6	 -3558.0	   432.8
-  17333.5840	   491.6	   552.1	 -3591.7	   432.4
-  17344.7559	   523.0	   587.8	 -3596.0	   432.0
-  17355.9355	   760.8	   760.6	 -3531.0	   431.5
-  17367.1230	  1513.3	  1436.2	 -3454.1	   431.0
-  17378.3164	  2310.0	  1694.5	 -2915.7	   430.4
-  17389.5176	  1771.9	  1386.4	 -3145.7	   429.9
-  17400.7266	  1032.1	  1156.6	 -3655.7	   429.3
-  17411.9434	   783.6	   985.6	 -3733.2	   428.8
-  17423.1660	   671.8	   858.3	 -3717.7	   428.3
-  17434.3965	   632.4	   763.7	 -3662.6	   427.7
-  17445.6328	   607.5	   693.6	 -3617.3	   427.2
-  17456.8770	   605.1	   642.4	 -3568.5	   426.6
-  17468.1289	   616.2	   608.4	 -3523.5	   426.1
-  17479.3887	   609.7	   599.4	 -3520.9	   425.5
-  17490.6543	   661.5	   616.4	 -3486.1	   425.0
-  17501.9297	   680.2	   585.2	 -3436.3	   424.4
-  17513.2090	   610.3	   560.0	 -3480.9	   423.9
-  17524.4980	   553.5	   541.0	 -3518.8	   423.4
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-  17547.0957	   498.4	   516.4	 -3549.2	   422.3
-  17558.4062	   530.2	   509.2	 -3510.3	   421.7
-  17569.7246	   524.0	   506.8	 -3514.0	   421.2
-  17581.0488	   515.1	   516.9	 -3533.0	   420.6
-  17592.3809	   574.3	   570.8	 -3527.7	   420.1
-  17603.7188	   810.4	   783.4	 -3504.2	   419.5
-  17615.0664	  1050.6	   860.4	 -3341.0	   419.0
-  17626.4199	   901.6	   765.4	 -3395.0	   418.4
-  17637.7812	   647.8	   693.8	 -3577.2	   417.9
-  17649.1504	   561.6	   640.2	 -3609.8	   417.3
-  17660.5254	   548.7	   600.2	 -3582.7	   416.8
-  17671.9082	   520.4	   571.3	 -3582.2	   416.2
-  17683.2988	   513.9	   554.3	 -3571.7	   415.7
-  17694.6973	   513.1	   560.2	 -3578.2	   415.1
-  17706.1016	   589.8	   636.9	 -3578.3	   414.6
-  17717.5156	  1020.9	   976.6	 -3486.9	   414.0
-  17728.9355	  2183.5	  2045.2	 -3392.9	   413.5
-  17740.3613	  2566.0	  1900.9	 -2866.1	   412.9
-  17751.7969	  1679.6	  1547.0	 -3398.7	   412.4
-  17763.2383	  1080.2	  1280.7	 -3731.7	   411.8
-  17774.6875	   863.3	  1080.2	 -3748.2	   411.3
-  17786.1445	   755.8	   929.4	 -3704.8	   410.7
-  17797.6094	   701.2	   816.0	 -3646.0	   410.2
-  17809.0801	   669.0	   731.2	 -3593.4	   409.6
-  17820.5586	   677.1	   669.4	 -3523.5	   409.1
-  17832.0449	   646.3	   631.0	 -3515.9	   408.5
-  17843.5391	   669.0	   633.9	 -3496.1	   407.9
-  17855.0410	   803.2	   706.1	 -3434.1	   407.4
-  17866.5488	   843.9	   659.3	 -3346.6	   406.8
-  17878.0645	   703.5	   612.3	 -3440.1	   406.3
-  17889.5879	   591.7	   576.8	 -3516.3	   405.7
-  17901.1191	   578.2	   549.8	 -3502.8	   405.2
-  17912.6582	   596.2	   529.5	 -3464.4	   404.6
-  17924.2031	   661.3	   514.2	 -3384.1	   404.0
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-  17982.0430	   832.7	   691.5	 -3390.0	   401.3
-  17993.6328	   860.0	   654.1	 -3325.3	   400.7
-  18005.2324	   686.9	   607.6	 -3451.9	   400.1
-  18016.8379	   598.9	   572.3	 -3504.6	   399.6
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-  18040.0703	   536.4	   524.9	 -3519.8	   398.5
-  18051.6973	   527.3	   509.6	 -3513.4	   397.9
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-  18074.9766	   467.7	   494.0	 -3557.5	   396.8
-  18086.6270	   495.6	   504.4	 -3539.9	   396.2
-  18098.2852	   614.5	   566.8	 -3483.5	   395.6
-  18109.9492	   861.9	   781.1	 -3450.4	   395.1
-  18121.6230	  1036.5	   766.4	 -3261.2	   394.5
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-  18168.3887	   562.2	   559.2	 -3528.2	   392.3
-  18180.0996	   545.5	   534.1	 -3519.9	   391.7
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-  18203.5430	   539.1	   503.0	 -3495.1	   390.6
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-  18908.9004	   485.2	   447.2	 -3493.2	   367.2
-  18921.0879	   504.2	   481.8	 -3508.8	   367.4
-  18933.2832	   598.2	   617.3	 -3550.3	   367.6
-  18945.4883	  1209.8	  1141.8	 -3463.2	   367.8
-  18957.6992	  2418.5	  2062.6	 -3175.4	   368.0
-  18969.9180	  2162.2	  1746.7	 -3115.7	   368.2
-  18982.1445	  1301.4	  1453.5	 -3683.3	   368.4
-  18994.3809	   919.7	  1225.6	 -3837.1	   368.6
-  19006.6230	   782.0	  1048.6	 -3797.8	   368.8
-  19018.8750	   718.5	   911.1	 -3723.8	   369.0
-  19031.1328	   661.2	   804.4	 -3674.4	   369.3
-  19043.4004	   593.3	   721.5	 -3659.4	   369.5
-  19055.6738	   602.2	   657.2	 -3586.2	   369.7
-  19067.9570	   615.6	   607.4	 -3523.0	   369.9
-  19080.2461	   599.0	   568.7	 -3501.0	   370.1
-  19092.5449	   562.9	   538.7	 -3507.0	   370.3
-  19104.8516	   552.4	   515.5	 -3494.4	   370.5
-  19117.1660	   560.3	   497.6	 -3468.5	   370.7
-  19129.4883	   527.9	   483.7	 -3487.0	   370.9
-  19141.8164	   539.9	   473.0	 -3464.3	   371.1
-  19154.1543	   529.9	   464.7	 -3466.0	   371.3
-  19166.5020	   520.0	   458.4	 -3469.6	   371.5
-  19178.8555	   547.2	   453.5	 -3437.5	   371.7
-  19191.2168	   526.3	   450.1	 -3455.0	   371.9
-  19203.5859	   498.9	   448.3	 -3480.7	   372.1
-  19215.9648	   471.8	   450.4	 -3509.8	   372.3
-  19228.3496	   469.8	   465.1	 -3526.5	   372.5
-  19240.7441	   535.9	   526.8	 -3522.1	   372.7
-  19253.1465	   862.0	   768.5	 -3437.7	   372.9
-  19265.5547	  1443.9	  1242.9	 -3330.2	   373.1
-  19277.9727	  1352.0	  1101.6	 -3280.8	   373.4
-  19290.3984	   903.0	   957.0	 -3585.3	   373.6
-  19302.8320	   697.7	   843.9	 -3677.5	   373.8
-  19315.2734	   631.9	   755.5	 -3654.9	   374.0
-  19327.7246	   594.6	   686.4	 -3623.0	   374.2
-  19340.1816	   592.6	   632.5	 -3571.0	   374.4
-  19352.6484	   571.7	   590.4	 -3550.0	   374.6
-  19365.1211	   546.1	   558.2	 -3543.3	   374.8
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-  22985.6445	  3511.8	  4029.1	 -4048.5	   405.7
-  23000.4609	  2747.5	  3395.6	 -4179.3	   404.9
-  23015.2852	  2345.0	  2874.4	 -4060.6	   404.1
-  23030.1191	  2127.9	  2445.4	 -3848.8	   403.3
-  23044.9648	  1897.6	  2092.4	 -3726.0	   402.5
-  23059.8184	  1718.3	  1802.0	 -3614.8	   401.7
-  23074.6816	  1535.1	  1563.0	 -3559.1	   400.9
-  23089.5547	  1399.2	  1366.4	 -3498.4	   400.1
-  23104.4375	  1317.5	  1204.6	 -3418.3	   399.3
-  23119.3281	  1253.5	  1071.5	 -3349.2	   398.4
-  23134.2305	  1243.5	   962.5	 -3250.2	   397.6
-  23149.1426	  1350.6	   874.2	 -3054.8	   396.8
-  23164.0625	  1399.1	   807.2	 -2939.3	   396.0
-  23178.9922	  1249.8	   773.4	 -3054.8	   395.2
-  23193.9336	  1164.4	   825.7	 -3192.5	   394.4
-  23208.8828	  1461.7	  1160.6	 -3230.1	   393.6
-  23223.8418	  1773.5	  1522.0	 -3279.7	   392.8
-  23238.8105	  1595.1	  1349.4	 -3285.6	   392.0
-  23253.7910	  1277.4	  1191.1	 -3445.0	   391.2
-  23268.7793	  1132.6	  1060.5	 -3459.1	   390.4
-  23283.7773	  1023.6	   952.7	 -3460.3	   389.6
-  23298.7832	   949.2	   863.8	 -3445.7	   388.7
-  23313.8008	   873.0	   790.3	 -3448.5	   387.9
-  23328.8281	   801.9	   729.7	 -3459.0	   387.1
-  23343.8652	   765.3	   679.6	 -3445.5	   386.3
-  23358.9121	   729.6	   638.3	 -3439.9	   385.5
-  23373.9668	   687.2	   604.1	 -3448.0	   384.7
-  23389.0332	   659.8	   575.8	 -3447.3	   383.9
-  23404.1094	   625.3	   552.6	 -3458.4	   383.0
-  23419.1934	   608.4	   534.0	 -3456.8	   382.2
-  23434.2891	   590.2	   521.0	 -3462.1	   381.4
-  23449.3945	   578.8	   519.6	 -3472.1	   380.6
-  23464.5078	   566.8	   553.6	 -3517.9	   379.8
-  23479.6328	   772.7	   714.0	 -3472.5	   379.0
-  23494.7656	  1343.7	  1262.5	 -3450.0	   378.1
-  23509.9102	  1689.2	  1452.7	 -3294.7	   377.3
-  23525.0625	  1349.5	  1278.0	 -3459.7	   376.5
-  23540.2266	  1073.6	  1131.3	 -3588.9	   375.7
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-  23570.5820	   848.3	   909.5	 -3592.4	   374.0
-  23585.7754	   792.0	   826.5	 -3565.7	   373.2
-  23600.9766	   725.7	   757.7	 -3563.2	   372.4
-  23616.1895	   694.9	   700.8	 -3537.1	   371.6
-  23631.4121	   663.9	   653.6	 -3521.0	   370.8
-  23646.6426	   619.2	   614.0	 -3526.0	   369.9
-  23661.8848	   599.5	   581.7	 -3513.4	   369.1
-  23677.1367	   569.0	   554.9	 -3517.2	   368.3
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-  23707.6680	   550.8	   514.5	 -3494.9	   366.6
-  23722.9492	   520.9	   500.3	 -3510.7	   365.8
-  23738.2402	   519.0	   492.0	 -3504.2	   365.0
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-  23768.8516	   582.5	   553.9	 -3502.6	   363.3
-  23784.1719	   858.9	   773.9	 -3446.2	   362.5
-  23799.5020	  1047.4	   931.5	 -3415.4	   361.7
-  23814.8418	   930.5	   847.7	 -3448.4	   360.8
-  23830.1914	   762.7	   773.9	 -3542.4	   360.0
-  23845.5508	   705.3	   712.6	 -3538.6	   359.2
-  23860.9219	   628.9	   661.8	 -3564.2	   358.3
-  23876.3008	   598.5	   619.6	 -3552.3	   357.5
-  23891.6895	   572.0	   584.5	 -3543.7	   356.7
-  23907.0898	   538.4	   555.4	 -3548.1	   355.8
-  23922.5000	   527.5	   531.1	 -3534.8	   355.0
-  23937.9180	   510.2	   510.8	 -3531.8	   354.2
-  23953.3477	   492.8	   493.9	 -3532.3	   353.3
-  23968.7871	   491.8	   479.8	 -3519.2	   352.5
-  23984.2363	   474.2	   468.1	 -3525.1	   351.7
-  23999.6953	   459.5	   458.3	 -3530.0	   350.8
-  24015.1641	   444.0	   450.4	 -3537.7	   350.0
-  24030.6445	   441.3	   445.0	 -3534.9	   349.2
-  24046.1328	   460.5	   444.9	 -3515.6	   348.3
-  24061.6309	   460.2	   462.1	 -3533.1	   347.5
-  24077.1406	   544.9	   541.2	 -3527.5	   346.7
-  24092.6602	   735.4	   771.3	 -3567.2	   345.8
-  24108.1895	   827.5	   792.1	 -3495.8	   345.0
-  24123.7285	   680.9	   726.1	 -3576.4	   344.1
-  24139.2773	   596.5	   670.9	 -3605.6	   343.3
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-  24170.4043	   531.6	   586.7	 -3586.3	   341.6
-  24185.9844	   519.8	   554.9	 -3566.3	   340.8
-  24201.5742	   504.2	   528.4	 -3555.4	   339.9
-  24217.1719	   475.0	   506.1	 -3562.3	   339.1
-  24232.7812	   470.1	   487.6	 -3548.7	   338.2
-  24248.4004	   457.1	   472.1	 -3546.2	   337.4
-  24264.0312	   449.6	   459.2	 -3540.8	   336.5
-  24279.6699	   434.9	   448.3	 -3544.6	   335.7
-  24295.3203	   417.4	   439.1	 -3552.9	   334.9
-  24310.9805	   425.5	   431.5	 -3537.2	   334.0
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-  24342.3301	   403.2	   420.4	 -3548.4	   332.3
-  24358.0195	   403.9	   418.9	 -3546.3	   331.5
-  24373.7188	   408.2	   426.9	 -3549.9	   330.6
-  24389.4297	   453.7	   468.7	 -3546.2	   329.8
-  24405.1504	   575.9	   610.8	 -3566.1	   328.9
-  24420.8809	   654.8	   659.4	 -3535.9	   328.1
-  24436.6211	   585.2	   614.0	 -3560.1	   327.2
-  24452.3711	   518.0	   575.4	 -3588.7	   326.4
-  24468.1328	   485.8	   543.2	 -3588.7	   325.5
-  24483.9043	   473.4	   516.3	 -3574.1	   324.7
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-  27283.0664	   876.7	   763.9	 -3418.4	   316.0
-  27300.6504	   812.9	   701.5	 -3419.9	   315.9
-  27318.2480	   747.0	   649.2	 -3433.5	   315.9
-  27335.8555	   694.6	   605.4	 -3442.0	   315.9
-  27353.4746	   660.3	   568.7	 -3439.6	   315.9
-  27371.1055	   637.8	   537.9	 -3431.4	   315.8
-  27388.7480	   604.8	   512.2	 -3438.6	   315.8
-  27406.4023	   568.4	   490.6	 -3453.4	   315.8
-  27424.0664	   554.1	   472.5	 -3449.6	   315.8
-  27441.7422	   537.0	   457.4	 -3451.6	   315.7
-  27459.4316	   507.6	   444.6	 -3468.3	   315.7
-  27477.1289	   501.1	   434.0	 -3464.2	   315.7
-  27494.8398	   470.8	   425.2	 -3485.6	   315.6
-  27512.5625	   448.6	   417.7	 -3500.3	   315.6
-  27530.2949	   439.6	   411.5	 -3503.1	   315.6
-  27548.0410	   441.0	   406.3	 -3496.5	   315.6
-  27565.7969	   425.3	   401.9	 -3507.8	   315.5
-  27583.5645	   402.2	   398.2	 -3527.3	   315.5
-  27601.3438	   408.2	   395.2	 -3518.1	   315.5
-  27619.1348	   404.5	   392.6	 -3519.3	   315.4
-  27636.9355	   393.0	   390.4	 -3528.6	   315.4
-  27654.7500	   387.3	   388.6	 -3532.6	   315.4
-  27672.5742	   382.3	   387.1	 -3536.1	   315.4
-  27690.4102	   370.5	   385.9	 -3546.6	   315.3
-  27708.2598	   378.8	   384.8	 -3537.2	   315.3
-  27726.1191	   373.4	   383.9	 -3541.7	   315.3
-  27743.9902	   365.4	   383.1	 -3549.0	   315.2
-  27761.8711	   366.1	   382.5	 -3547.6	   315.2
-  27779.7656	   365.8	   382.0	 -3547.4	   315.2
-  27797.6719	   353.3	   381.5	 -3559.4	   315.2
-  27815.5879	   355.1	   381.2	 -3557.3	   315.1
-  27833.5176	   354.4	   380.9	 -3557.7	   315.1
-  27851.4570	   357.3	   380.8	 -3554.7	   315.1
-  27869.4102	   362.5	   381.2	 -3549.9	   315.1
-  27887.3730	   356.3	   383.4	 -3558.2	   315.0
-  27905.3477	   360.5	   391.1	 -3561.9	   315.0
-  27923.3340	   396.0	   422.8	 -3558.0	   315.0
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-  27959.3418	   463.1	   516.4	 -3584.4	   314.9
-  27977.3633	   447.5	   494.7	 -3578.4	   314.9
-  27995.3965	   429.5	   476.2	 -3577.9	   314.9
-  28013.4414	   404.7	   460.6	 -3587.2	   314.8
-  28031.4980	   401.1	   447.5	 -3577.6	   314.8
-  28049.5645	   391.7	   436.5	 -3576.1	   314.8
-  28067.6445	   374.9	   427.3	 -3583.6	   314.7
-  28085.7363	   374.7	   419.5	 -3576.0	   314.7
-  28103.8379	   361.9	   413.0	 -3582.3	   314.7
-  28121.9531	   361.5	   407.5	 -3577.2	   314.7
-  28140.0781	   352.7	   402.8	 -3581.3	   314.6
-  28158.2168	   363.7	   399.0	 -3566.4	   314.6
-  28176.3672	   368.2	   395.7	 -3558.7	   314.6
-  28194.5273	   366.8	   392.9	 -3557.4	   314.5
-  28212.7012	   347.2	   390.6	 -3574.6	   314.5
-  28230.8848	   347.6	   388.7	 -3572.3	   314.5
-  28249.0820	   336.3	   387.0	 -3581.9	   314.5
-  28267.2891	   350.7	   385.6	 -3566.1	   314.3
-  28285.5098	   346.3	   384.2	 -3569.2	   314.1
-  28303.7402	   347.2	   383.1	 -3567.2	   313.9
-  28321.9844	   362.0	   382.4	 -3551.6	   313.7
-  28340.2383	   389.8	   382.5	 -3523.9	   313.5
-  28358.5059	   471.0	   385.1	 -3445.3	   313.2
-  28376.7852	   510.9	   397.0	 -3417.3	   313.0
-  28395.0742	   538.1	   442.1	 -3435.2	   312.8
-  28413.3770	   704.7	   608.4	 -3434.9	   312.6
-  28431.6914	  1193.8	  1123.1	 -3460.5	   312.4
-  28450.0176	  1552.3	  1390.2	 -3369.2	   312.2
-  28468.3555	  1392.6	  1239.6	 -3378.3	   311.9
-  28486.7031	  1147.4	  1101.8	 -3485.6	   311.7
-  28505.0645	   996.1	   985.8	 -3520.9	   311.5
-  28523.4375	   883.5	   888.2	 -3535.9	   311.3
-  28541.8223	   811.1	   806.1	 -3526.2	   311.1
-  28560.2207	   756.0	   737.1	 -3512.3	   310.9
-  28578.6289	   697.0	   679.0	 -3513.2	   310.6
-  28597.0488	   649.3	   630.1	 -3512.0	   310.4
-  28615.4805	   591.2	   589.0	 -3529.1	   310.2
-  28633.9258	   567.0	   554.4	 -3518.7	   310.0
-  28652.3809	   532.0	   525.3	 -3524.5	   309.8
-  28670.8496	   500.5	   500.8	 -3531.6	   309.6
-  28689.3301	   487.2	   480.2	 -3524.3	   309.3
-  28707.8223	   456.1	   462.9	 -3538.0	   309.1
-  28726.3262	   460.4	   448.3	 -3519.2	   308.9
-  28744.8418	   448.7	   436.0	 -3518.5	   308.7
-  28763.3691	   425.7	   425.6	 -3531.2	   308.5
-  28781.9082	   408.8	   416.9	 -3539.4	   308.3
-  28800.4590	   408.4	   409.6	 -3532.4	   308.0
-  28819.0234	   403.8	   403.5	 -3531.0	   307.8
-  28837.5977	   385.9	   398.8	 -3544.1	   307.6
-  28856.1855	   395.6	   396.3	 -3531.9	   307.4
-  28874.7852	   387.1	   399.5	 -3543.7	   307.2
-  28893.3965	   394.5	   421.9	 -3558.7	   306.9
-  28912.0195	   485.7	   512.3	 -3557.9	   306.7
-  28930.6562	   871.6	   848.9	 -3508.6	   306.5
-  28949.3027	  2005.2	  1996.5	 -3522.5	   306.3
-  28967.9629	  3152.1	  3157.9	 -3537.0	   306.1
-  28986.6328	  2992.0	  2820.0	 -3359.3	   305.8
-  29005.3164	  2431.3	  2430.3	 -3530.2	   305.6
-  29024.0137	  2039.7	  2102.2	 -3593.7	   305.4
-  29042.7207	  1753.7	  1826.1	 -3603.7	   305.2
-  29061.4395	  1555.9	  1593.8	 -3569.2	   305.0
-  29080.1719	  1361.6	  1398.4	 -3568.0	   304.7
-  29098.9160	  1208.9	  1234.0	 -3556.3	   304.5
-  29117.6719	  1103.7	  1095.7	 -3523.2	   304.3
-  29136.4395	   995.1	   979.3	 -3515.5	   304.1
-  29155.2188	   905.4	   881.5	 -3507.3	   303.8
-  29174.0117	   841.1	   799.2	 -3489.4	   303.6
-  29192.8164	   771.1	   730.0	 -3490.1	   303.4
-  29211.6328	   705.1	   671.7	 -3497.9	   303.2
-  29230.4609	   676.1	   622.8	 -3477.9	   303.0
-  29249.3008	   622.1	   581.6	 -3490.7	   302.7
-  29268.1543	   585.5	   547.0	 -3492.7	   302.5
-  29287.0195	   554.1	   517.8	 -3494.9	   302.3
-  29305.8965	   540.9	   493.3	 -3483.6	   302.1
-  29324.7852	   509.4	   472.7	 -3494.5	   301.8
-  29343.6855	   479.9	   455.3	 -3506.7	   301.6
-  29362.5996	   458.2	   440.8	 -3513.8	   301.4
-  29381.5254	   455.6	   428.5	 -3504.1	   301.2
-  29400.4648	   445.3	   418.9	 -3504.8	   301.0
-  29419.4141	   439.6	   412.6	 -3504.2	   300.7
-  29438.3770	   426.6	   414.2	 -3518.9	   300.5
-  29457.3516	   452.8	   440.6	 -3519.0	   300.3
-  29476.3379	   576.5	   553.4	 -3508.0	   300.1
-  29495.3379	  1045.6	   969.6	 -3455.2	   299.8
-  29514.3477	  1776.6	  1725.1	 -3479.7	   299.6
-  29533.3730	  1860.8	  1681.7	 -3352.1	   299.4
-  29552.4082	  1610.1	  1473.0	 -3394.1	   299.2
-  29571.4570	  1357.2	  1296.4	 -3470.4	   298.9
-  29590.5156	  1181.5	  1147.8	 -3497.5	   298.7
-  29609.5898	  1036.7	  1022.7	 -3517.2	   298.5
-  29628.6738	   949.4	   917.4	 -3499.2	   298.3
-  29647.7715	   850.8	   828.8	 -3509.2	   298.0
-  29666.8809	   775.9	   754.2	 -3509.5	   297.8
-  29686.0039	   716.1	   691.5	 -3506.6	   297.6
-  29705.1367	   666.9	   638.6	 -3503.0	   297.4
-  29724.2832	   630.6	   594.2	 -3494.8	   297.1
-  29743.4434	   604.5	   556.8	 -3483.5	   296.9
-  29762.6133	   560.0	   525.3	 -3496.5	   296.7
-  29781.7969	   527.7	   498.7	 -3502.3	   296.5
-  29800.9941	   515.9	   476.4	 -3491.8	   296.2
-  29820.2031	   484.4	   457.6	 -3504.5	   296.0
-  29839.4238	   465.2	   441.8	 -3507.8	   295.8
-  29858.6562	   449.7	   428.5	 -3510.0	   295.5
-  29877.9023	   427.1	   417.2	 -3521.3	   295.3
-  29897.1602	   412.1	   407.7	 -3526.8	   295.1
-  29916.4297	   412.4	   399.7	 -3518.5	   294.9
-  29935.7129	   408.8	   392.7	 -3515.1	   294.6
-  29955.0078	   393.6	   387.1	 -3524.7	   294.4
-  29974.3164	   381.2	   382.9	 -3532.9	   294.2
-  29993.6348	   372.0	   380.7	 -3539.9	   294.0
-  30012.9688	   382.9	   384.0	 -3532.3	   293.7
-  30032.3125	   378.9	   405.5	 -3557.8	   293.5
-  30051.6699	   453.3	   491.1	 -3569.0	   293.3
-  30071.0410	   805.2	   807.3	 -3533.3	   293.0
-  30090.4238	  1631.8	  1737.4	 -3636.8	   292.8
-  30109.8184	  2179.5	  2184.6	 -3536.4	   292.6
-  30129.2246	  1929.9	  1916.9	 -3518.3	   292.4
-  30148.6445	  1602.3	  1668.9	 -3597.9	   292.1
-  30168.0781	  1371.3	  1460.1	 -3620.1	   291.9
-  30187.5234	  1199.5	  1284.4	 -3616.1	   291.7
-  30206.9805	  1062.6	  1136.5	 -3605.0	   291.4
-  30226.4512	   943.2	  1011.9	 -3600.0	   291.2
-  30245.9336	   848.6	   907.2	 -3589.7	   291.0
-  30265.4277	   790.9	   819.0	 -3559.3	   290.8
-  30284.9355	   704.0	   744.8	 -3572.0	   290.5
-  30304.4551	   673.7	   682.3	 -3539.8	   290.3
-  30323.9883	   630.0	   629.7	 -3530.9	   290.1
-  30343.5352	   584.0	   585.5	 -3532.7	   289.8
-  30363.0918	   545.4	   548.3	 -3534.1	   289.6
-  30382.6641	   511.6	   517.0	 -3536.6	   289.4
-  30402.2461	   491.7	   490.6	 -3530.1	   289.1
-  30421.8418	   483.0	   468.4	 -3516.6	   288.9
-  30441.4512	   459.6	   449.7	 -3521.3	   288.7
-  30461.0723	   434.9	   433.9	 -3530.2	   288.4
-  30480.7051	   421.4	   420.7	 -3530.5	   288.2
-  30500.3516	   409.5	   409.5	 -3531.2	   288.0
-  30520.0117	   407.8	   399.9	 -3523.3	   287.7
-  30539.6836	   391.5	   392.0	 -3531.7	   287.5
-  30559.3672	   376.9	   385.3	 -3539.6	   287.3
-  30579.0645	   378.4	   379.7	 -3532.5	   287.1
-  30598.7754	   376.0	   375.2	 -3530.4	   286.8
-  30618.4980	   368.6	   372.2	 -3534.8	   286.6
-  30638.2324	   372.7	   372.5	 -3530.9	   286.4
-  30657.9805	   386.1	   382.9	 -3528.1	   286.1
-  30677.7422	   432.3	   428.7	 -3527.5	   285.9
-  30697.5156	   608.7	   598.4	 -3520.9	   285.7
-  30717.3008	   924.6	   961.6	 -3568.2	   285.4
-  30737.0996	  1046.5	   989.8	 -3474.5	   285.2
-  30756.9121	   938.7	   889.3	 -3481.7	   285.0
-  30776.7363	   806.4	   803.2	 -3527.9	   284.7
-  30796.5742	   721.6	   730.7	 -3540.3	   284.5
-  30816.4238	   657.8	   669.7	 -3543.1	   284.3
-  30836.2871	   603.3	   618.3	 -3546.2	   284.0
-  30856.1621	   566.2	   575.0	 -3540.0	   283.8
-  30876.0508	   521.0	   538.6	 -3548.8	   283.5
-  30895.9512	   495.2	   507.9	 -3543.9	   283.3
-  30915.8672	   476.1	   482.1	 -3537.2	   283.1
-  30935.7930	   447.4	   460.3	 -3544.1	   282.8
-  30955.7324	   432.6	   442.0	 -3540.6	   282.6
-  30975.6855	   419.9	   426.5	 -3537.9	   282.4
-  30995.6504	   397.7	   413.5	 -3547.0	   282.1
-  31015.6289	   391.7	   402.5	 -3542.0	   281.9
-  31035.6211	   384.6	   393.2	 -3539.9	   281.7
-  31055.6250	   375.6	   385.4	 -3541.0	   281.4
-  31075.6426	   369.0	   378.8	 -3541.0	   281.2
-  31095.6719	   354.6	   373.2	 -3549.8	   281.0
-  31115.7148	   348.0	   368.5	 -3551.7	   280.7
-  31135.7715	   366.8	   364.3	 -3528.7	   280.5
-  31155.8398	   349.6	   360.9	 -3542.5	   280.2
-  31175.9219	   346.3	   358.0	 -3542.9	   280.0
-  31196.0156	   339.4	   355.6	 -3547.4	   279.8
-  31216.1230	   336.8	   353.7	 -3548.1	   279.7
-  31236.2441	   330.8	   352.2	 -3552.6	   279.5
-  31256.3770	   331.1	   351.5	 -3551.6	   279.4
-  31276.5234	   333.9	   352.8	 -3550.2	   279.3
-  31296.6836	   345.5	   361.0	 -3546.8	   279.2
-  31316.8555	   371.5	   393.1	 -3552.9	   279.1
-  31337.0410	   488.3	   510.7	 -3553.7	   279.0
-  31357.2383	   936.3	   930.2	 -3525.1	   278.9
-  31377.4512	  1768.1	  1848.9	 -3612.0	   278.8
-  31397.6758	  2018.8	  1963.6	 -3476.0	   278.7
-  31417.9121	  1770.4	  1711.0	 -3471.8	   278.5
-  31438.1641	  1489.7	  1493.0	 -3534.4	   278.4
-  31458.4277	  1300.6	  1309.5	 -3540.2	   278.3
-  31478.7031	  1133.5	  1155.3	 -3553.0	   278.2
-  31498.9941	  1007.7	  1025.5	 -3549.0	   278.1
-  31519.2969	   906.1	   916.3	 -3541.4	   278.0
-  31539.6113	   829.7	   824.5	 -3526.0	   277.9
-  31559.9414	   761.7	   747.3	 -3516.8	   277.8
-  31580.2832	   695.8	   682.4	 -3517.8	   277.7
-  31600.6387	   645.4	   627.8	 -3513.6	   277.5
-  31621.0059	   597.9	   581.9	 -3515.2	   277.4
-  31641.3887	   554.9	   543.3	 -3519.6	   277.3
-  31661.7832	   515.0	   510.8	 -3527.0	   277.2
-  31682.1914	   493.6	   483.5	 -3521.2	   277.1
-  31702.6113	   467.0	   460.6	 -3524.9	   277.0
-  31723.0449	   453.1	   441.3	 -3519.5	   276.9
-  31743.4922	   437.1	   425.1	 -3519.2	   276.8
-  31763.9531	   419.0	   411.5	 -3523.7	   276.6
-  31784.4277	   410.1	   399.9	 -3521.0	   276.5
-  31804.9141	   397.6	   390.3	 -3523.9	   276.4
-  31825.4141	   376.8	   382.2	 -3536.6	   276.3
-  31845.9277	   380.7	   375.4	 -3525.9	   276.2
-  31866.4531	   377.6	   369.6	 -3523.3	   276.1
-  31886.9922	   364.6	   364.8	 -3531.4	   276.0
-  31907.5449	   360.6	   360.7	 -3531.3	   275.9
-  31928.1113	   355.2	   357.4	 -3533.4	   275.7
-  31948.6914	   350.0	   354.8	 -3536.0	   275.6
-  31969.2832	   342.9	   353.4	 -3541.7	   275.5
-  31989.8906	   348.2	   355.2	 -3538.2	   275.4
-  32010.5098	   352.7	   367.4	 -3546.0	   275.3
-  32031.1426	   407.0	   415.6	 -3539.8	   275.2
-  32051.7871	   623.2	   591.9	 -3499.9	   275.1
-  32072.4473	  1212.5	  1156.3	 -3475.0	   275.0
-  32093.1191	  1785.7	  1672.2	 -3417.7	   274.8
-  32113.8047	  1703.9	  1519.1	 -3346.4	   274.7
-  32134.5039	  1427.7	  1330.7	 -3434.1	   274.6
-  32155.2168	  1203.5	  1172.0	 -3499.7	   274.5
-  32175.9414	  1068.7	  1038.6	 -3501.2	   274.4
-  32196.6816	   944.1	   926.5	 -3513.7	   274.3
-  32217.4336	   846.7	   832.2	 -3516.8	   274.2
-  32238.1992	   771.4	   753.0	 -3512.8	   274.0
-  32258.9785	   711.1	   686.4	 -3506.6	   273.9
-  32279.7715	   644.7	   630.4	 -3517.0	   273.8
-  32300.5781	   599.1	   583.4	 -3515.5	   273.7
-  32321.3965	   550.3	   543.9	 -3524.8	   273.6
-  32342.2305	   515.3	   510.6	 -3526.6	   273.5
-  32363.0762	   491.3	   482.7	 -3522.6	   273.4
-  32383.9355	   478.1	   459.3	 -3512.4	   273.2
-  32404.8105	   459.7	   439.5	 -3511.1	   273.1
-  32425.6953	   426.3	   423.0	 -3527.8	   273.0
-  32446.5957	   414.3	   409.0	 -3526.0	   272.9
-  32467.5098	   403.2	   397.3	 -3525.3	   272.8
-  32488.4375	   385.7	   387.3	 -3532.8	   272.7
-  32509.3770	   376.8	   379.1	 -3533.5	   272.6
-  32530.3320	   387.4	   372.1	 -3516.0	   272.4
-  32551.2988	   366.7	   366.3	 -3530.8	   272.3
-  32572.2812	   364.1	   361.4	 -3528.5	   272.2
-  32593.2754	   352.9	   357.2	 -3535.5	   272.1
-  32614.2832	   336.4	   353.7	 -3548.5	   272.0
-  32635.3047	   339.6	   350.8	 -3542.3	   271.9
-  32656.3398	   341.1	   348.3	 -3538.4	   271.7
-  32677.3887	   343.4	   346.3	 -3534.0	   271.6
-  32698.4512	   334.3	   344.7	 -3541.7	   271.5
-  32719.5273	   349.5	   344.2	 -3525.9	   271.4
-  32740.6172	   374.6	   346.2	 -3502.9	   271.3
-  32761.7207	   398.7	   357.1	 -3489.6	   271.2
-  32782.8359	   426.9	   398.6	 -3502.9	   271.1
-  32803.9688	   576.4	   548.7	 -3503.5	   270.9
-  32825.1094	  1037.9	  1041.7	 -3535.1	   270.8
-  32846.2695	  1569.3	  1607.0	 -3569.0	   270.7
-  32867.4414	  1553.0	  1494.8	 -3473.0	   270.6
-  32888.6250	  1328.3	  1309.0	 -3512.0	   270.5
-  32909.8242	  1140.6	  1152.5	 -3543.1	   270.4
-  32931.0352	   992.8	  1021.0	 -3559.4	   270.2
-  32952.2617	   857.4	   910.5	 -3584.3	   270.1
-  32973.5000	   791.3	   817.7	 -3557.6	   270.0
-  32994.7539	   721.2	   739.8	 -3549.8	   269.9
-  33016.0195	   655.5	   674.3	 -3550.1	   269.8
-  33037.3008	   598.1	   619.4	 -3552.5	   269.7
-  33058.5938	   569.2	   573.2	 -3535.3	   269.5
-  33079.9023	   528.2	   534.5	 -3537.5	   269.4
-  33101.2266	   509.3	   501.9	 -3523.9	   269.3
-  33122.5625	   474.2	   474.6	 -3531.6	   269.2
-  33143.9102	   453.9	   451.7	 -3529.0	   269.1
-  33165.2734	   427.9	   432.4	 -3535.7	   269.0
-  33186.6484	   410.1	   416.2	 -3537.3	   268.8
-  33208.0391	   401.3	   402.7	 -3532.6	   268.7
-  33229.4453	   400.3	   391.1	 -3522.1	   268.6
-  33250.8633	   386.2	   381.6	 -3526.6	   268.5
-  33272.2969	   362.7	   373.5	 -3542.1	   268.4
-  33293.7422	   360.5	   366.8	 -3537.4	   268.2
-  33315.1992	   361.6	   361.1	 -3530.7	   268.1
-  33336.6758	   348.2	   356.3	 -3539.3	   268.0
-  33358.1602	   335.6	   352.3	 -3547.9	   267.9
-  33379.6641	   345.2	   348.9	 -3534.9	   267.8
-  33401.1797	   338.8	   346.0	 -3538.4	   267.7
-  33422.7070	   329.7	   343.6	 -3545.1	   267.5
-  33444.2500	   329.2	   341.5	 -3543.6	   267.4
-  33465.8047	   335.4	   339.8	 -3535.7	   267.3
-  33487.3750	   328.0	   338.4	 -3541.6	   267.2
-  33508.9609	   328.9	   337.2	 -3539.5	   267.1
-  33530.5586	   312.9	   336.4	 -3554.7	   266.9
-  33552.1719	   313.2	   336.5	 -3554.5	   266.8
-  33573.7969	   316.5	   339.1	 -3553.8	   266.7
-  33595.4375	   328.8	   350.4	 -3552.9	   266.6
-  33617.0938	   372.8	   392.4	 -3550.8	   266.5
-  33638.7617	   482.6	   522.3	 -3570.9	   266.4
-  33660.4414	   597.4	   634.4	 -3568.2	   266.2
-  33682.1367	   584.9	   599.7	 -3545.9	   266.1
-  33703.8477	   526.8	   556.1	 -3560.6	   266.0
-  33725.5742	   482.4	   519.5	 -3568.3	   265.9
-  33747.3086	   454.1	   488.7	 -3565.9	   265.8
-  33769.0625	   444.0	   462.9	 -3550.2	   265.6
-  33790.8281	   413.2	   441.3	 -3559.3	   265.5
-  33812.6094	   393.4	   423.1	 -3560.9	   265.4
-  33834.4023	   378.9	   407.8	 -3560.1	   265.3
-  33856.2109	   370.5	   395.0	 -3555.7	   265.2
-  33878.0312	   352.8	   384.2	 -3562.7	   265.0
-  33899.8672	   354.0	   375.2	 -3552.4	   264.9
-  33921.7188	   346.1	   367.6	 -3552.7	   264.8
-  33943.5820	   339.3	   361.2	 -3553.2	   264.7
-  33965.4609	   330.7	   355.8	 -3556.4	   264.6
-  33987.3555	   326.6	   351.3	 -3555.9	   264.4
-  34009.2617	   331.9	   347.5	 -3546.8	   264.3
-  34031.1836	   328.3	   344.2	 -3547.1	   264.2
-  34053.1172	   329.3	   341.5	 -3543.4	   264.1
-  34075.0664	   312.1	   339.2	 -3558.3	   264.0
-  34097.0312	   306.3	   337.3	 -3562.3	   263.8
-  34119.0078	   315.5	   335.7	 -3551.4	   263.7
-  34141.0000	   316.5	   334.3	 -3549.0	   263.6
-  34163.0039	   323.8	   333.1	 -3540.5	   263.5
-  34185.0234	   364.2	   332.1	 -3499.1	   263.4
-  34207.0586	   403.0	   331.2	 -3459.5	   263.2
-  34229.1055	   406.7	   330.5	 -3455.1	   263.1
-  34251.1680	   406.0	   329.9	 -3455.1	   263.0
-  34273.2461	   383.7	   329.3	 -3476.9	   262.9
-  34295.3359	   378.6	   328.8	 -3481.5	   262.7
-  34317.4414	   357.2	   328.5	 -3502.5	   262.6
-  34339.5625	   362.0	   328.2	 -3497.5	   262.5
-  34361.6953	   358.0	   328.4	 -3501.7	   262.4
-  34383.8438	   355.4	   330.0	 -3505.8	   262.3
-  34406.0039	   347.0	   336.4	 -3520.7	   262.1
-  34428.1836	   338.8	   359.6	 -3552.1	   262.0
-  34450.3711	   421.3	   441.7	 -3551.6	   261.9
-  34472.5781	   710.7	   731.4	 -3551.9	   261.8
-  34494.7969	  1806.8	  1747.1	 -3471.5	   261.7
-  34517.0312	  4278.9	  4487.9	 -3740.2	   261.5
-  34539.2812	  6021.2	  5951.2	 -3461.2	   261.4
-  34561.5430	  5506.7	  5175.4	 -3199.9	   261.3
-  34583.8203	  4520.2	  4386.2	 -3397.2	   261.2
-  34606.1094	  3708.6	  3724.8	 -3547.4	   261.0
-  34628.4141	  3130.7	  3170.7	 -3571.2	   260.9
-  34650.7344	  2648.9	  2706.6	 -3588.9	   260.8
-  34673.0703	  2265.8	  2317.9	 -3583.3	   260.7
-  34695.4180	  1955.1	  1992.4	 -3568.5	   260.6
-  34717.7812	  1712.8	  1719.9	 -3538.3	   260.4
-  34740.1602	  1505.7	  1491.7	 -3517.2	   260.3
-  34762.5508	  1333.9	  1300.7	 -3498.0	   260.2
-  34784.9570	  1172.1	  1140.9	 -3500.0	   260.1
-  34807.3789	  1047.7	  1007.0	 -3490.5	   259.9
-  34829.8125	   942.0	   895.0	 -3484.2	   259.8
-  34852.2617	   861.8	   801.3	 -3470.8	   259.7
-  34874.7266	   766.4	   722.9	 -3487.7	   259.6
-  34897.2070	   711.2	   657.3	 -3477.3	   259.5
-  34919.6992	   670.7	   602.4	 -3462.9	   259.3
-  34942.2070	   620.7	   556.4	 -3467.0	   259.2
-  34964.7305	   561.8	   518.0	 -3487.4	   259.1
-  34987.2656	   531.0	   485.8	 -3486.1	   259.0
-  35009.8164	   513.0	   458.9	 -3477.1	   258.8
-  35032.3828	   476.0	   436.4	 -3491.6	   258.7
-  35054.9609	   451.9	   417.6	 -3496.9	   258.6
-  35077.5586	   439.9	   401.9	 -3493.1	   258.5
-  35100.1680	   423.9	   388.7	 -3496.0	   258.3
-  35122.7891	   403.2	   377.6	 -3505.7	   258.2
-  35145.4297	   397.0	   368.4	 -3502.6	   258.1
-  35168.0820	   382.8	   360.7	 -3509.1	   258.0
-  35190.7500	   372.4	   354.2	 -3513.0	   257.8
-  35213.4336	   371.5	   348.7	 -3508.5	   257.7
-  35236.1289	   372.7	   344.2	 -3502.7	   257.6
-  35258.8398	   364.4	   340.4	 -3507.2	   257.5
-  35281.5664	   357.3	   337.2	 -3511.1	   257.3
-  35304.3086	   346.2	   334.7	 -3519.7	   257.2
-  35327.0625	   341.8	   333.0	 -3522.5	   257.1
-  35349.8359	   332.6	   333.2	 -3531.8	   257.0
-  35372.6211	   338.0	   338.9	 -3532.1	   256.9
-  35395.4180	   357.7	   363.3	 -3536.8	   256.7
-  35418.2344	   449.7	   452.2	 -3533.7	   256.6
-  35441.0625	   776.7	   764.5	 -3519.1	   256.5
-  35463.9062	  1509.3	  1570.0	 -3591.9	   256.4
-  35486.7656	  1967.5	  1961.0	 -3524.7	   256.2
-  35509.6367	  1775.0	  1730.6	 -3486.9	   256.1
-  35532.5234	  1478.1	  1498.9	 -3552.0	   256.0
-  35555.4297	  1276.0	  1304.9	 -3560.1	   255.8
-  35578.3438	  1111.7	  1142.7	 -3562.2	   255.7
-  35601.2773	   964.6	  1007.1	 -3573.7	   255.6
-  35624.2227	   847.4	   893.8	 -3577.6	   255.5
-  35647.1875	   762.4	   799.0	 -3567.8	   255.3
-  35670.1641	   694.1	   719.8	 -3556.9	   255.2
-  35693.1523	   641.3	   653.6	 -3543.6	   255.1
-  35716.1602	   586.7	   598.3	 -3542.8	   255.0
-  35739.1797	   542.3	   552.0	 -3541.0	   254.8
-  35762.2188	   500.1	   513.4	 -3544.5	   254.7
-  35785.2695	   469.9	   481.1	 -3542.5	   254.6
-  35808.3320	   456.3	   453.9	 -3528.8	   254.5
-  35831.4141	   426.7	   431.4	 -3535.8	   254.3
-  35854.5078	   412.4	   412.5	 -3531.4	   254.2
-  35877.6211	   401.9	   396.8	 -3526.1	   254.1
-  35900.7461	   375.4	   383.7	 -3539.4	   254.0
-  35923.8828	   370.7	   372.7	 -3533.2	   253.8
-  35947.0391	   366.5	   363.5	 -3528.2	   253.7
-  35970.2109	   354.9	   355.8	 -3532.1	   253.6
-  35993.3945	   352.5	   349.3	 -3528.0	   253.5
-  36016.5938	   335.7	   343.9	 -3539.5	   253.3
-  36039.8086	   327.1	   339.4	 -3543.5	   253.2
-  36063.0391	   333.6	   335.6	 -3533.2	   253.1
-  36086.2812	   326.9	   332.4	 -3536.7	   252.9
-  36109.5430	   321.2	   329.8	 -3539.8	   252.8
-  36132.8164	   310.3	   327.5	 -3548.4	   252.7
-  36156.1055	   318.7	   325.6	 -3538.2	   252.6
-  36179.4102	   310.5	   324.0	 -3544.8	   252.4
-  36202.7305	   306.7	   322.7	 -3547.1	   252.3
-  36226.0664	   310.1	   321.5	 -3542.6	   252.2
-  36249.4141	   303.8	   320.5	 -3548.0	   252.0
-  36272.7812	   307.2	   319.7	 -3543.7	   251.9
-  36296.1602	   308.0	   319.0	 -3542.2	   251.8
-  36319.5547	   302.2	   318.4	 -3547.4	   251.7
-  36342.9648	   295.4	   318.0	 -3553.9	   251.5
-  36366.3906	   301.7	   318.2	 -3547.7	   251.4
-  36389.8281	   291.7	   319.9	 -3559.4	   251.3
-  36413.2852	   302.9	   326.8	 -3555.2	   251.2
-  36436.7539	   320.4	   352.0	 -3562.9	   251.0
-  36460.2422	   431.2	   440.4	 -3540.4	   250.9
-  36483.7422	   728.2	   714.5	 -3517.5	   250.8
-  36507.2578	  1050.8	  1020.9	 -3501.3	   250.6
-  36530.7891	  1062.3	   970.6	 -3439.5	   250.5
-  36554.3320	   927.6	   862.3	 -3465.9	   250.4
-  36577.8945	   818.4	   771.0	 -3483.8	   250.3
-  36601.4727	   728.9	   694.9	 -3497.2	   250.1
-  36625.0625	   622.7	   631.4	 -3539.9	   250.0
-  36648.6719	   572.9	   578.4	 -3536.7	   249.9
-  36672.2930	   522.1	   534.2	 -3543.3	   249.7
-  36695.9297	   481.1	   497.3	 -3547.4	   249.6
-  36719.5820	   458.4	   466.6	 -3539.4	   249.5
-  36743.2500	   425.3	   440.9	 -3546.8	   249.3
-  36766.9336	   404.5	   419.5	 -3546.2	   249.2
-  36790.6328	   381.2	   401.6	 -3551.7	   249.1
-  36814.3438	   376.3	   386.7	 -3541.6	   249.0
-  36838.0742	   371.5	   374.2	 -3534.0	   248.8
-  36861.8164	   355.2	   363.9	 -3539.9	   248.7
-  36885.5781	   337.7	   355.2	 -3548.7	   248.6
-  36909.3516	   335.1	   347.9	 -3544.1	   248.4
-  36933.1406	   329.7	   341.9	 -3543.4	   248.3
-  36956.9492	   329.8	   336.8	 -3538.2	   248.2
-  36980.7695	   327.9	   332.6	 -3536.0	   248.0
-  37004.6055	   323.4	   329.1	 -3536.9	   247.9
-  37028.4570	   322.6	   326.1	 -3534.7	   247.8
-  37052.3242	   312.4	   323.6	 -3542.3	   247.7
-  37076.2031	   306.4	   321.5	 -3546.3	   247.5
-  37100.1016	   304.4	   319.7	 -3546.5	   247.4
-  37124.0156	   303.0	   318.2	 -3546.5	   247.3
-  37147.9453	   293.2	   316.9	 -3554.9	   247.1
-  37171.8867	   290.3	   315.9	 -3556.8	   247.0
-  37195.8477	   305.6	   315.0	 -3540.6	   246.9
-  37219.8203	   291.8	   314.2	 -3553.6	   246.7
-  37243.8125	   290.3	   313.5	 -3554.4	   246.6
-  37267.8164	   291.6	   312.9	 -3552.5	   246.5
-  37291.8398	   291.1	   312.6	 -3552.7	   246.6
-  37315.8750	   292.2	   312.4	 -3551.4	   246.6
-  37339.9297	   283.9	   312.2	 -3559.6	   246.7
-  37363.9961	   286.1	   312.1	 -3557.2	   246.8
-  37388.0781	   292.6	   312.0	 -3550.6	   246.9
-  37412.1758	   287.9	   312.1	 -3555.4	   246.9
-  37436.2930	   294.1	   312.4	 -3549.6	   247.0
-  37460.4219	   298.8	   313.8	 -3546.2	   247.1
-  37484.5664	   289.3	   318.8	 -3560.7	   247.2
-  37508.7266	   306.0	   335.9	 -3561.1	   247.2
-  37532.9023	   365.2	   394.8	 -3560.9	   247.3
-  37557.0938	   575.9	   598.3	 -3553.7	   247.4
-  37581.3047	  1299.1	  1300.9	 -3533.1	   247.5
-  37605.5273	  3336.2	  3476.5	 -3671.5	   247.5
-  37629.7656	  5791.4	  6103.7	 -3843.5	   247.6
-  37654.0195	  6032.4	  5812.7	 -3311.5	   247.7
-  37678.2891	  5020.3	  4897.9	 -3408.8	   247.8
-  37702.5742	  4117.4	  4124.6	 -3538.4	   247.8
-  37726.8750	  3420.4	  3481.3	 -3592.2	   247.9
-  37751.1953	  2852.1	  2946.2	 -3625.3	   248.0
-  37775.5273	  2382.2	  2501.3	 -3650.3	   248.1
-  37799.8750	  2048.6	  2131.3	 -3614.0	   248.1
-  37824.2383	  1748.5	  1823.7	 -3606.5	   248.2
-  37848.6172	  1509.2	  1568.0	 -3590.0	   248.3
-  37873.0156	  1316.5	  1355.5	 -3570.2	   248.4
-  37897.4258	  1146.9	  1178.8	 -3563.2	   248.4
-  37921.8516	  1030.8	  1032.1	 -3532.5	   248.5
-  37946.2969	   915.3	   910.1	 -3526.0	   248.6
-  37970.7539	   838.9	   808.8	 -3501.1	   248.7
-  37995.2266	   740.2	   724.7	 -3515.7	   248.7
-  38019.7188	   675.3	   654.8	 -3510.7	   248.8
-  38044.2227	   628.7	   596.7	 -3499.2	   248.9
-  38068.7461	   577.5	   548.6	 -3502.3	   249.0
-  38093.2812	   541.3	   508.6	 -3498.5	   249.1
-  38117.8359	   509.7	   475.4	 -3496.9	   249.1
-  38142.4062	   478.0	   447.8	 -3501.1	   249.2
-  38166.9883	   463.8	   425.0	 -3492.4	   249.3
-  38191.5898	   438.4	   406.0	 -3498.9	   249.4
-  38216.2070	   407.4	   390.3	 -3514.2	   249.4
-  38240.8398	   395.1	   377.3	 -3513.4	   249.5
-  38265.4883	   374.6	   366.5	 -3523.2	   249.6
-  38290.1523	   361.6	   357.6	 -3527.2	   249.7
-  38314.8320	   354.9	   350.2	 -3526.5	   249.7
-  38339.5273	   359.4	   344.1	 -3515.8	   249.8
-  38364.2383	   351.4	   339.0	 -3518.8	   249.9
-  38388.9688	   341.0	   334.8	 -3525.0	   250.0
-  38413.7109	   337.8	   331.3	 -3524.8	   250.0
-  38438.4727	   342.5	   328.5	 -3517.2	   250.1
-  38463.2461	   325.1	   326.1	 -3532.3	   250.2
-  38488.0391	   318.6	   324.2	 -3536.8	   250.3
-  38512.8477	   319.9	   322.6	 -3533.9	   250.4
-  38537.6719	   316.6	   321.3	 -3535.9	   250.4
-  38562.5117	   321.0	   320.2	 -3530.5	   250.5
-  38587.3672	   313.4	   319.4	 -3537.2	   250.6
-  38612.2383	   309.0	   318.7	 -3541.0	   250.7
-  38637.1250	   299.1	   318.3	 -3550.4	   250.7
-  38662.0273	   306.8	   318.4	 -3542.9	   250.8
-  38686.9492	   310.4	   320.0	 -3540.8	   250.9
-  38711.8828	   318.3	   326.4	 -3539.3	   251.0
-  38736.8359	   329.6	   348.9	 -3550.5	   251.0
-  38761.8047	   398.0	   426.6	 -3559.8	   251.1
-  38786.7891	   673.1	   693.6	 -3551.7	   251.2
-  38811.7891	  1649.1	  1608.9	 -3491.0	   251.3
-  38836.8047	  4369.3	  4469.7	 -3631.6	   251.4
-  38861.8359	  7995.7	  8374.8	 -3910.3	   251.4
-  38886.8867	  8607.8	  8277.5	 -3200.9	   251.5
-  38911.9492	  7257.4	  6949.4	 -3223.2	   251.6
-  38937.0312	  5881.9	  5812.5	 -3461.8	   251.7
-  38962.1289	  4831.4	  4869.9	 -3569.7	   251.7
-  38987.2422	  3939.7	  4088.5	 -3680.1	   251.8
-  39012.3711	  3350.6	  3440.9	 -3621.5	   251.9
-  39037.5156	  2823.7	  2904.1	 -3611.7	   252.0
-  39062.6797	  2403.0	  2459.3	 -3587.5	   252.1
-  39087.8555	  2022.7	  2090.8	 -3599.3	   252.1
-  39113.0508	  1747.6	  1785.4	 -3569.0	   252.2
-  39138.2617	  1508.6	  1532.5	 -3555.1	   252.3
-  39163.4883	  1311.3	  1323.1	 -3543.0	   252.4
-  39188.7305	  1175.8	  1149.6	 -3505.0	   252.4
-  39213.9922	  1035.4	  1006.0	 -3501.8	   252.5
-  39239.2656	   929.8	   887.1	 -3488.6	   252.6
-  39264.5586	   815.5	   788.7	 -3504.4	   252.7
-  39289.8672	   756.4	   707.2	 -3482.0	   252.8
-  39315.1914	   695.4	   639.8	 -3475.6	   252.8
-  39340.5312	   629.9	   584.1	 -3485.4	   252.9
-  39365.8867	   589.0	   537.9	 -3480.2	   253.0
-  39391.2617	   562.9	   499.8	 -3468.1	   253.1
-  39416.6523	   515.1	   468.2	 -3484.4	   253.2
-  39442.0586	   480.9	   442.2	 -3492.5	   253.2
-  39467.4805	   465.5	   420.6	 -3486.3	   253.3
-  39492.9180	   445.3	   402.8	 -3488.7	   253.4
-  39518.3750	   425.0	   388.1	 -3494.2	   253.5
-  39543.8477	   409.9	   375.9	 -3497.2	   253.5
-  39569.3359	   388.3	   365.9	 -3508.8	   253.6
-  39594.8398	   375.1	   357.6	 -3513.7	   253.7
-  39620.3594	   357.6	   350.8	 -3524.4	   253.8
-  39645.8984	   352.6	   345.1	 -3523.8	   253.9
-  39671.4531	   348.2	   340.5	 -3523.5	   253.9
-  39697.0234	   331.7	   336.7	 -3536.2	   254.0
-  39722.6094	   329.5	   333.5	 -3535.2	   254.1
-  39748.2109	   330.0	   331.0	 -3532.2	   254.2
-  39773.8320	   332.5	   328.9	 -3527.6	   254.3
-  39799.4688	   329.0	   327.1	 -3529.3	   254.3
-  39825.1211	   319.8	   325.7	 -3537.1	   254.4
-  39850.7891	   312.5	   324.5	 -3543.3	   254.5
-  39876.4766	   313.7	   323.6	 -3541.1	   254.6
-  39902.1797	   314.2	   322.8	 -3539.8	   254.7
-  39927.8984	   299.9	   322.2	 -3553.6	   254.7
-  39953.6328	   299.9	   321.7	 -3553.1	   254.8
-  39979.3867	   293.4	   321.3	 -3559.1	   254.9
-  40005.1562	   302.4	   321.0	 -3549.8	   255.0
-  40030.9414	   329.2	   320.8	 -3522.8	   255.1
-  40056.7422	   386.2	   320.6	 -3465.6	   255.1
-  40082.5625	   592.4	   320.5	 -3259.3	   255.2
-  40108.3984	   920.1	   320.4	 -2931.4	   255.3
-  40134.2500	  1073.3	   320.3	 -2778.2	   255.4
-  40160.1172	   981.2	   320.3	 -2870.2	   255.5
-  40186.0039	   855.7	   320.2	 -2995.7	   255.5
-  40211.9062	   722.2	   320.2	 -3129.3	   255.6
-  40237.8242	   642.9	   320.2	 -3208.6	   255.7
-  40263.7617	   580.7	   320.3	 -3270.8	   255.8
-  40289.7109	   528.2	   320.3	 -3323.3	   255.9
-  40315.6797	   491.0	   320.3	 -3360.6	   255.9
-  40341.6680	   462.0	   320.4	 -3389.6	   256.0
-  40367.6680	   420.2	   320.4	 -3431.5	   256.1
-  40393.6875	   408.2	   320.5	 -3443.5	   256.2
-  40419.7227	   379.5	   320.5	 -3472.2	   256.3
-  40445.7773	   369.7	   320.6	 -3482.1	   256.3
-  40471.8477	   355.2	   320.6	 -3496.6	   256.4
-  40497.9336	   343.2	   320.7	 -3508.8	   256.5
-  40524.0352	   332.4	   320.8	 -3519.6	   256.6
-  40550.1562	   322.6	   320.9	 -3529.5	   256.7
-  40576.2930	   316.7	   321.0	 -3535.4	   256.7
-  40602.4453	   317.8	   321.1	 -3534.5	   256.8
-  40628.6172	   307.4	   321.1	 -3545.0	   256.9
-  40654.8047	   302.4	   321.2	 -3550.0	   257.0
-  40681.0078	   295.8	   321.3	 -3556.7	   257.1
-  40707.2305	   294.0	   321.4	 -3558.6	   257.2
-  40733.4688	   297.3	   321.5	 -3555.3	   257.2
-  40759.7227	   296.4	   321.5	 -3556.3	   257.3
-  40785.9961	   296.9	   321.6	 -3555.9	   257.4
-  40812.2812	   283.2	   321.7	 -3569.7	   257.5
-  40838.5898	   291.3	   321.8	 -3561.7	   257.6
-  40864.9102	   275.0	   321.9	 -3578.1	   257.6
-  40891.2500	   274.9	   321.9	 -3578.2	   257.7
-  40917.6094	   278.4	   322.0	 -3574.8	   257.8
-  40943.9805	   283.6	   322.1	 -3569.8	   257.9
-  40970.3711	   287.4	   322.2	 -3566.1	   258.0
-  40996.7812	   277.3	   322.3	 -3576.2	   258.1
-  41023.2031	   284.4	   322.4	 -3569.2	   258.1
-  41049.6445	   281.4	   322.4	 -3572.2	   258.2
-  41076.1055	   272.2	   322.5	 -3581.6	   258.3
-  41102.5820	   279.1	   322.6	 -3574.7	   258.4
-  41129.0742	   287.4	   322.7	 -3566.5	   258.5
-  41155.5820	   284.2	   322.8	 -3569.8	   258.5
-  41182.1094	   288.5	   322.8	 -3565.6	   258.6
-  41208.6562	   281.3	   322.9	 -3572.8	   258.7
-  41235.2148	   287.6	   322.7	 -3566.3	   258.5
-  41261.7930	   289.5	   322.4	 -3564.1	   258.2
-  41288.3906	   274.8	   322.1	 -3578.6	   257.9
-  41315.0039	   274.6	   321.8	 -3578.4	   257.6
-  41341.6328	   287.0	   321.5	 -3565.8	   257.3
-  41368.2773	   286.5	   321.3	 -3566.0	   257.0
-  41394.9414	   282.7	   321.0	 -3569.4	   256.7
-  41421.6250	   282.4	   320.7	 -3569.5	   256.4
-  41448.3242	   275.9	   320.4	 -3575.7	   256.2
-  41475.0391	   279.8	   320.2	 -3571.6	   255.9
-  41501.7734	   281.0	   320.1	 -3570.4	   255.6
-  41528.5234	   288.9	   320.6	 -3562.9	   255.3
-  41555.2891	   282.3	   323.0	 -3571.9	   255.0
-  41582.0742	   295.2	   331.5	 -3567.6	   254.7
-  41608.8750	   310.1	   361.1	 -3582.2	   254.4
-  41635.6953	   402.8	   461.4	 -3589.7	   254.1
-  41662.5312	   761.7	   799.9	 -3569.4	   253.8
-  41689.3867	  1940.3	  1940.1	 -3531.0	   253.5
-  41716.2578	  5332.1	  5410.7	 -3609.9	   253.2
-  41743.1445	  9901.3	 10324.5	 -3954.4	   252.9
-  41770.0508	 10786.4	 10565.2	 -3310.0	   252.6
-  41796.9727	  9142.9	  8831.9	 -3220.2	   252.3
-  41823.9141	  7377.6	  7311.8	 -3465.4	   252.0
-  41850.8711	  5968.2	  6061.9	 -3625.0	   251.7
-  41877.8477	  4847.1	  5034.6	 -3718.7	   251.4
-  41904.8398	  4020.3	  4190.4	 -3701.3	   251.1
-  41931.8477	  3337.5	  3496.8	 -3690.5	   250.8
-  41958.8750	  2785.3	  2926.8	 -3672.8	   250.5
-  41985.9219	  2326.1	  2458.5	 -3663.6	   250.2
-  42012.9844	  1993.4	  2073.9	 -3611.7	   249.9
-  42040.0625	  1706.6	  1758.0	 -3582.6	   249.6
-  42067.1602	  1477.0	  1498.5	 -3552.7	   249.3
-  42094.2734	  1267.7	  1285.4	 -3548.9	   249.0
-  42121.4062	  1131.2	  1110.5	 -3510.5	   248.7
-  42148.5586	   992.3	   966.8	 -3505.7	   248.4
-  42175.7227	   873.5	   848.8	 -3506.5	   248.1
-  42202.9102	   775.0	   752.0	 -3508.2	   247.8
-  42230.1094	   708.1	   672.4	 -3495.6	   247.5
-  42257.3320	   656.4	   607.1	 -3482.0	   247.2
-  42284.5664	   600.0	   553.5	 -3484.7	   246.9
-  42311.8203	   568.8	   509.5	 -3471.9	   246.6
-  42339.0938	   526.4	   473.3	 -3478.1	   246.3
-  42366.3828	   497.4	   443.6	 -3477.5	   246.0
-  42393.6914	   464.4	   419.2	 -3486.0	   245.7
-  42421.0156	   430.6	   399.2	 -3499.8	   245.4
-  42448.3594	   424.4	   382.7	 -3489.5	   245.1
-  42475.7188	   393.8	   369.1	 -3506.5	   244.8
-  42503.0977	   386.0	   357.9	 -3503.2	   244.5
-  42530.4922	   373.5	   348.7	 -3506.4	   244.2
-  42557.9062	   362.2	   341.1	 -3510.1	   243.9
-  42585.3359	   353.5	   334.8	 -3512.6	   243.6
-  42612.7852	   351.7	   329.6	 -3509.1	   243.3
-  42640.2539	   334.9	   325.3	 -3521.6	   243.0
-  42667.7344	   332.4	   321.7	 -3520.5	   242.7
-  42695.2383	   323.3	   318.7	 -3526.6	   242.4
-  42722.7578	   309.7	   316.2	 -3537.7	   242.1
-  42750.2930	   311.7	   314.1	 -3533.6	   241.8
-  42777.8477	   304.6	   312.3	 -3538.9	   241.5
-  42805.4219	   293.4	   310.8	 -3548.6	   241.2
-  42833.0117	   299.5	   309.5	 -3541.3	   240.9
-  42860.6211	   306.2	   308.4	 -3533.4	   240.6
-  42888.2461	   295.0	   307.4	 -3543.7	   240.3
-  42915.8906	   281.5	   306.6	 -3556.3	   240.0
-  42943.5508	   286.4	   305.9	 -3550.7	   239.7
-  42971.2305	   288.8	   305.2	 -3547.6	   239.3
-  42998.9297	   280.3	   304.6	 -3555.5	   239.0
-  43026.6445	   276.5	   304.0	 -3558.8	   238.7
-  43054.3789	   279.7	   303.5	 -3555.1	   238.4
-  43082.1289	   281.6	   303.1	 -3552.7	   238.1
-  43109.8984	   281.2	   302.6	 -3552.6	   237.8
-  43137.6836	   289.9	   302.2	 -3543.6	   237.5
-  43165.4883	   283.0	   301.8	 -3550.0	   237.2
-  43193.3086	   270.0	   301.5	 -3562.7	   236.9
-  43221.1523	   274.6	   301.1	 -3557.8	   236.6
-  43249.0078	   273.8	   300.8	 -3558.2	   236.3
-  43276.8867	   275.4	   300.7	 -3556.6	   236.0
-  43304.7812	   286.0	   301.2	 -3546.4	   235.7
-  43332.6914	   274.9	   303.5	 -3559.8	   235.4
-  43360.6211	   290.1	   312.0	 -3553.2	   235.1
-  43388.5703	   316.7	   341.2	 -3555.7	   234.7
-  43416.5391	   388.7	   431.5	 -3573.9	   234.4
-  43444.5195	   515.6	   575.3	 -3590.9	   234.1
-  43472.5234	   552.5	   599.7	 -3578.4	   233.8
-  43500.5430	   508.2	   549.6	 -3572.7	   233.5
-  43528.5820	   445.9	   503.3	 -3588.6	   233.2
-  43556.6406	   415.7	   465.2	 -3580.7	   232.9
-  43584.7148	   396.4	   434.1	 -3568.9	   232.6
-  43612.8086	   372.8	   408.6	 -3567.1	   232.3
-  43640.9180	   350.6	   387.7	 -3568.4	   232.0
-  43669.0469	   322.2	   370.6	 -3579.7	   231.7
-  43697.1953	   322.2	   356.6	 -3565.5	   231.3
-  43725.3594	   313.2	   345.1	 -3563.1	   231.0
-  43753.5430	   315.0	   335.6	 -3551.8	   230.7
-  43781.7422	   313.8	   327.8	 -3545.2	   230.4
-  43809.9648	   308.6	   321.4	 -3544.0	   230.1
-  43838.2031	   304.8	   316.1	 -3542.5	   229.8
-  43866.4570	   290.1	   311.7	 -3552.8	   229.5
-  43894.7305	   279.3	   308.1	 -3560.0	   229.2
-  43923.0234	   274.9	   305.0	 -3561.4	   228.8
-  43951.3359	   287.0	   302.5	 -3546.7	   228.5
-  43979.6641	   278.0	   300.4	 -3553.7	   228.2
-  44008.0117	   273.4	   298.6	 -3556.4	   227.9
-  44036.3789	   275.2	   297.1	 -3553.1	   227.6
-  44064.7617	   275.1	   295.8	 -3551.9	   227.3
-  44093.1641	   272.6	   294.7	 -3553.3	   227.0
-  44121.5820	   276.0	   293.7	 -3549.0	   226.7
-  44150.0234	   275.2	   292.9	 -3549.0	   226.3
-  44178.4805	   265.6	   292.2	 -3557.8	   226.0
-  44206.9531	   269.8	   291.5	 -3552.9	   225.7
-  44235.4492	   272.6	   290.9	 -3549.5	   225.4
-  44263.9609	   270.6	   290.3	 -3550.9	   225.1
-  44292.4922	   277.1	   289.8	 -3543.9	   224.8
-  44321.0391	   281.9	   289.4	 -3538.6	   224.5
-  44349.6094	   294.5	   288.9	 -3525.6	   224.1
-  44378.1914	   306.7	   288.5	 -3513.0	   223.8
-  44406.7969	   313.9	   288.1	 -3505.4	   223.5
-  44435.4219	   330.4	   287.7	 -3488.6	   223.2
-  44464.0625	   329.2	   287.3	 -3489.4	   222.9
-  44492.7227	   330.2	   287.0	 -3488.0	   222.6
-  44521.3984	   323.0	   286.6	 -3494.8	   222.2
-  44550.0938	   317.9	   286.3	 -3499.6	   221.9
-  44578.8086	   310.1	   285.9	 -3507.1	   221.6
-  44607.5430	   302.3	   285.6	 -3514.5	   221.3
-  44636.2969	   298.2	   285.3	 -3518.3	   221.0
-  44665.0664	   291.3	   284.9	 -3524.9	   220.7
-  44693.8555	   294.8	   284.6	 -3521.0	   220.3
-  44722.6641	   291.5	   284.3	 -3524.0	   220.0
-  44751.4883	   291.1	   284.0	 -3524.1	   219.7
-  44780.3320	   277.7	   283.6	 -3537.1	   219.4
-  44809.1953	   273.1	   283.3	 -3541.4	   219.1
-  44838.0781	   283.9	   283.1	 -3530.4	   218.9
-  44866.9805	   281.0	   283.0	 -3533.3	   218.8
-  44895.8984	   273.0	   283.0	 -3541.2	   218.7
-  44924.8359	   283.3	   282.9	 -3530.8	   218.7
-  44953.7930	   271.6	   282.8	 -3542.5	   218.6
-  44982.7695	   273.9	   282.8	 -3540.1	   218.6
-  45011.7617	   269.4	   282.7	 -3544.5	   218.5
-  45040.7734	   272.3	   282.7	 -3541.6	   218.4
-  45069.8047	   271.3	   282.7	 -3542.6	   218.4
-  45098.8555	   279.3	   282.8	 -3534.7	   218.3
-  45127.9258	   285.1	   283.3	 -3529.5	   218.2
-  45157.0117	   290.1	   285.2	 -3526.3	   218.2
-  45186.1172	   291.5	   291.4	 -3531.1	   218.1
-  45215.2422	   306.4	   312.0	 -3536.9	   218.1
-  45244.3867	   359.0	   380.2	 -3552.4	   218.0
-  45273.5508	   586.5	   604.9	 -3549.7	   217.9
-  45302.7305	  1408.2	  1346.1	 -3469.1	   217.9
-  45331.9297	  3875.4	  3744.2	 -3400.0	   217.8
-  45361.1484	  9431.3	  9554.6	 -3654.5	   217.8
-  45390.3867	 14049.5	 14124.9	 -3606.5	   217.7
-  45419.6445	 13459.8	 12899.0	 -2970.4	   217.6
-  45448.9180	 10937.7	 10570.5	 -3164.1	   217.6
-  45478.2148	  8656.1	  8631.0	 -3506.1	   217.5
-  45507.5273	  6872.2	  7056.1	 -3715.1	   217.5
-  45536.8594	  5538.7	  5777.5	 -3770.0	   217.4
-  45566.2109	  4488.4	  4739.6	 -3782.4	   217.3
-  45595.5781	  3694.8	  3897.2	 -3733.6	   217.3
-  45624.9688	  3023.8	  3213.5	 -3720.9	   217.2
-  45654.3750	  2511.2	  2658.8	 -3678.9	   217.2
-  45683.8047	  2084.2	  2208.7	 -3655.8	   217.1
-  45713.2500	  1772.6	  1843.6	 -3602.3	   217.0
-  45742.7148	  1514.4	  1547.5	 -3564.4	   217.0
-  45772.1992	  1275.8	  1307.3	 -3562.8	   216.9
-  45801.6992	  1128.4	  1112.6	 -3515.5	   216.8
-  45831.2227	  1000.8	   954.7	 -3485.1	   216.8
-  45860.7617	   882.9	   826.7	 -3474.9	   216.7
-  45890.3242	   778.1	   722.9	 -3476.0	   216.7
-  45919.9023	   709.7	   638.8	 -3460.3	   216.6
-  45949.5000	   649.7	   570.6	 -3452.2	   216.5
-  45979.1172	   592.6	   515.4	 -3454.0	   216.5
-  46008.7539	   549.1	   470.6	 -3452.7	   216.4
-  46038.4062	   507.8	   434.3	 -3457.7	   216.4
-  46068.0820	   476.2	   405.0	 -3459.9	   216.3
-  46097.7734	   457.4	   381.1	 -3455.0	   216.2
-  46127.4883	   437.7	   361.9	 -3455.4	   216.2
-  46157.2188	   408.6	   346.2	 -3468.8	   216.1
-  46186.9688	   388.1	   333.6	 -3476.6	   216.0
-  46216.7383	   371.5	   323.3	 -3483.0	   216.0
-  46246.5273	   367.5	   315.0	 -3478.7	   215.9
-  46276.3359	   358.7	   308.3	 -3480.8	   215.9
-  46306.1641	   346.0	   302.8	 -3488.0	   215.8
-  46336.0117	   334.4	   298.4	 -3495.2	   215.7
-  46365.8789	   318.9	   294.8	 -3507.1	   215.7
-  46395.7617	   321.9	   291.9	 -3501.2	   215.6
-  46425.6680	   323.1	   289.5	 -3497.6	   215.5
-  46455.5938	   320.7	   287.6	 -3498.1	   215.5
-  46485.5352	   303.6	   286.0	 -3513.6	   215.4
-  46515.4961	   308.7	   284.7	 -3507.2	   215.4
-  46545.4805	   294.4	   283.7	 -3520.4	   215.3
-  46575.4805	   294.3	   282.8	 -3519.7	   215.2
-  46605.5000	   287.7	   282.1	 -3525.6	   215.2
-  46635.5391	   295.6	   281.5	 -3517.2	   215.1
-  46665.6016	   284.0	   281.0	 -3528.3	   215.1
-  46695.6797	   299.1	   280.6	 -3512.7	   215.0
-  46725.7773	   288.7	   280.3	 -3522.8	   214.9
-  46755.8945	   279.8	   280.0	 -3531.4	   214.9
-  46786.0312	   271.7	   279.8	 -3539.3	   214.8
-  46816.1875	   272.5	   279.6	 -3538.3	   214.7
-  46846.3633	   282.8	   279.4	 -3527.8	   214.7
-  46876.5586	   291.8	   279.2	 -3518.7	   214.6
-  46906.7734	   285.6	   279.1	 -3524.7	   214.5
-  46937.0039	   267.2	   279.0	 -3543.0	   214.5
-  46967.2578	   266.0	   278.8	 -3544.1	   214.4
-  46997.5312	   272.7	   278.7	 -3537.3	   214.4
-  47027.8242	   267.3	   278.7	 -3542.5	   214.3
-  47058.1367	   275.4	   278.6	 -3534.4	   214.2
-  47088.4688	   277.4	   278.5	 -3532.3	   214.2
-  47118.8203	   270.2	   278.4	 -3539.5	   214.1
-  47149.1914	   259.2	   278.3	 -3550.4	   214.0
-  47179.5820	   276.6	   278.2	 -3532.8	   214.0
-  47209.9883	   271.3	   278.2	 -3538.1	   213.9
-  47240.4180	   258.8	   278.1	 -3550.5	   213.9
-  47270.8672	   267.1	   278.1	 -3542.2	   213.8
-  47301.3359	   269.1	   278.1	 -3540.2	   213.7
-  47331.8242	   273.6	   278.3	 -3536.0	   213.7
-  47362.3320	   280.2	   279.2	 -3530.2	   213.6
-  47392.8594	   280.9	   282.3	 -3532.7	   213.5
-  47423.4102	   288.2	   292.5	 -3535.5	   213.5
-  47453.9766	   319.6	   325.8	 -3537.4	   213.4
-  47484.5625	   439.3	   434.3	 -3526.1	   213.3
-  47515.1680	   835.1	   787.2	 -3483.3	   213.3
-  47545.7930	  2003.2	  1901.7	 -3429.7	   213.2
-  47576.4414	  4502.9	  4427.0	 -3455.3	   213.2
-  47607.1055	  6506.0	  6270.8	 -3296.1	   213.1
-  47637.7930	  6172.4	  5712.5	 -3071.3	   213.0
-  47668.4961	  4946.7	  4679.7	 -3264.2	   213.0
-  47699.2227	  3958.4	  3821.6	 -3394.4	   212.9
-  47729.9648	  3175.5	  3130.3	 -3486.0	   212.8
-  47760.7305	  2560.9	  2573.4	 -3543.7	   212.8
-  47791.5156	  2089.8	  2124.9	 -3566.4	   212.7
-  47822.3203	  1707.8	  1763.8	 -3587.2	   212.6
-  47853.1445	  1425.6	  1473.1	 -3578.7	   212.6
-  47883.9883	  1211.6	  1239.0	 -3558.6	   212.5
-  47914.8516	  1025.3	  1050.6	 -3556.6	   212.5
-  47945.7344	   888.8	   899.0	 -3541.4	   212.4
-  47976.6406	   785.7	   777.0	 -3522.5	   212.3
-  48007.5625	   681.8	   678.8	 -3528.3	   212.3
-  48038.5039	   600.6	   599.8	 -3530.5	   212.2
-  48069.4688	   546.6	   536.3	 -3520.9	   212.1
-  48100.4531	   515.2	   485.2	 -3501.2	   212.1
-  48131.4570	   471.4	   444.1	 -3503.9	   212.0
-  48162.4805	   446.7	   411.0	 -3495.5	   211.9
-  48193.5234	   418.3	   384.4	 -3497.4	   211.9
-  48224.5859	   400.1	   363.0	 -3494.1	   211.8
-  48255.6680	   385.7	   345.8	 -3491.4	   211.7
-  48286.7734	   367.2	   332.0	 -3496.0	   211.7
-  48317.8945	   340.5	   320.9	 -3511.6	   211.6
-  48349.0391	   337.3	   311.9	 -3505.8	   211.5
-  48380.2031	   324.3	   304.7	 -3511.7	   211.5
-  48411.3867	   314.0	   298.9	 -3516.1	   211.4
-  48442.5898	   305.6	   294.3	 -3519.9	   211.4
-  48473.8164	   312.0	   290.5	 -3509.7	   211.3
-  48505.0586	   302.3	   287.5	 -3516.3	   211.2
-  48536.3242	   299.8	   285.0	 -3516.5	   211.2
-  48567.6055	   300.0	   283.0	 -3514.3	   211.1
-  48598.9102	   295.0	   281.4	 -3517.7	   211.0
-  48630.2383	   291.0	   280.2	 -3520.3	   211.0
-  48661.5820	   288.4	   279.1	 -3522.0	   210.9
-  48692.9453	   282.4	   278.2	 -3527.1	   210.8
-  48724.3320	   277.2	   277.5	 -3531.6	   210.8
-  48755.7383	   280.2	   277.0	 -3527.9	   210.7
-  48787.1641	   282.7	   276.5	 -3525.0	   210.6
-  48818.6094	   276.8	   276.1	 -3530.5	   210.6
-  48850.0742	   280.5	   275.8	 -3526.5	   210.5
-  48881.5625	   258.9	   275.5	 -3547.9	   210.4
-  48913.0703	   261.4	   275.3	 -3545.1	   210.4
-  48944.5938	   258.6	   275.1	 -3547.7	   210.3
-  48976.1445	   260.3	   274.9	 -3545.8	   210.2
-  49007.7109	   260.0	   274.7	 -3545.9	   210.2
-  49039.3008	   265.4	   274.6	 -3540.4	   210.1
-  49070.9062	   264.6	   274.5	 -3541.1	   210.0
-  49102.5352	   276.1	   274.4	 -3529.5	   210.0
-  49134.1875	   259.1	   274.3	 -3546.4	   209.9
-  49165.8555	   255.3	   274.2	 -3550.1	   209.8
-  49197.5469	   263.1	   274.1	 -3542.2	   209.8
-  49229.2578	   265.1	   274.0	 -3540.1	   209.7
-  49260.9883	   262.5	   273.9	 -3542.6	   209.7
-  49292.7383	   261.8	   273.9	 -3543.3	   209.6
-  49324.5117	   260.8	   273.8	 -3544.2	   209.5
-  49356.3008	   268.5	   273.7	 -3536.4	   209.5
-  49388.1172	   257.6	   273.6	 -3547.3	   209.4
-  49419.9492	   266.5	   273.6	 -3538.3	   209.3
-  49451.8008	   261.6	   273.5	 -3543.1	   209.3
-  49483.6758	   263.1	   273.4	 -3541.6	   209.2
-  49515.5703	   251.0	   273.4	 -3553.6	   209.1
-  49547.4883	   246.3	   273.3	 -3558.2	   209.1
-  49579.4219	   258.0	   273.2	 -3546.4	   209.0
-  49611.3789	   254.1	   273.2	 -3550.3	   208.9
-  49643.3555	   251.1	   273.1	 -3553.2	   208.9
-  49675.3555	   244.6	   273.0	 -3559.6	   208.8
-  49707.3750	   259.6	   272.9	 -3544.6	   208.7
-  49739.4141	   259.2	   272.9	 -3544.9	   208.7
-  49771.4727	   257.1	   272.8	 -3546.9	   208.6
-  49803.5547	   262.5	   272.8	 -3541.5	   208.5
-  49835.6523	   256.9	   272.7	 -3547.0	   208.4
-  49867.7773	   258.2	   272.7	 -3545.7	   208.3
-  49899.9180	   257.5	   272.9	 -3546.6	   208.1
-  49932.0820	   262.4	   273.8	 -3542.6	   207.9
-  49964.2656	   274.3	   277.4	 -3534.3	   207.8
-  49996.4688	   288.3	   289.0	 -3531.9	   207.6
-  50028.6953	   320.2	   326.6	 -3537.6	   207.4
-  50060.9414	   444.8	   447.3	 -3533.8	   207.3
-  50093.2109	   863.9	   833.7	 -3501.1	   207.1
-  50125.4961	  2010.9	  1975.7	 -3496.0	   207.0
-  50157.8047	  4072.9	  4030.6	 -3488.9	   206.8
-  50190.1367	  5144.6	  4964.0	 -3350.6	   206.6
-  50222.4844	  4562.8	  4322.3	 -3290.7	   206.5
-  50254.8555	  3614.5	  3513.4	 -3430.2	   206.3
-  50287.2500	  2827.9	  2856.2	 -3559.5	   206.1
-  50319.6602	  2250.3	  2331.9	 -3612.8	   206.0
-  50352.0938	  1843.5	  1913.5	 -3601.3	   205.8
-  50384.5508	  1503.9	  1579.7	 -3607.1	   205.6
-  50417.0234	  1233.8	  1313.6	 -3611.0	   205.5
-  50449.5234	  1043.1	  1101.3	 -3589.4	   205.3
-  50482.0391	   874.1	   932.0	 -3589.1	   205.1
-  50514.5781	   769.4	   797.0	 -3558.9	   205.0
-  50547.1367	   677.6	   689.4	 -3543.0	   204.8
-  50579.7188	   605.7	   603.6	 -3529.2	   204.6
-  50612.3203	   529.3	   535.2	 -3537.2	   204.4
-  50644.9414	   478.1	   480.7	 -3533.9	   204.3
-  50677.5859	   439.7	   437.3	 -3528.8	   204.1
-  50710.2500	   420.4	   402.6	 -3513.4	   203.9
-  50742.9336	   388.1	   375.0	 -3518.0	   203.8
-  50775.6406	   371.3	   352.9	 -3512.8	   203.6
-  50808.3672	   356.3	   335.4	 -3510.3	   203.4
-  50841.1172	   340.1	   321.4	 -3512.4	   203.3
-  50873.8867	   317.0	   310.2	 -3524.4	   203.1
-  50906.6797	   310.5	   301.2	 -3521.9	   202.9
-  50939.4922	   296.3	   294.1	 -3528.9	   202.8
-  50972.3242	   288.2	   288.3	 -3531.3	   202.6
-  51005.1797	   300.4	   283.8	 -3514.6	   202.4
-  51038.0547	   287.1	   280.1	 -3524.2	   202.3
-  51070.9492	   281.1	   277.1	 -3527.2	   202.1
-  51103.8672	   290.2	   274.7	 -3515.8	   201.9
-  51136.8086	   288.8	   272.8	 -3515.2	   201.8
-  51169.7695	   282.9	   271.2	 -3519.5	   201.6
-  51202.7500	   273.9	   269.9	 -3527.3	   201.4
-  51235.7539	   270.4	   268.9	 -3529.6	   201.2
-  51268.7773	   271.8	   268.0	 -3527.4	   201.1
-  51301.8242	   267.3	   267.3	 -3531.2	   200.9
-  51334.8906	   259.6	   266.7	 -3538.3	   200.7
-  51367.9766	   270.8	   266.1	 -3526.6	   200.6
-  51401.0859	   263.9	   265.7	 -3533.0	   200.4
-  51434.2188	   258.2	   265.3	 -3538.3	   200.2
-  51467.3711	   256.0	   265.0	 -3540.1	   200.1
-  51500.5430	   272.2	   264.6	 -3523.6	   199.9
-  51533.7383	   267.9	   264.4	 -3527.7	   199.7
-  51566.9570	   261.0	   264.1	 -3534.3	   199.5
-  51600.1914	   266.6	   263.9	 -3528.4	   199.4
-  51633.4531	   277.5	   263.6	 -3517.3	   199.2
-  51666.7344	   260.5	   263.4	 -3534.2	   199.0
-  51700.0352	   269.0	   263.2	 -3525.4	   198.9
-  51733.3594	   264.6	   263.0	 -3529.6	   198.7
-  51766.7031	   265.4	   262.8	 -3528.6	   198.5
-  51800.0703	   262.1	   262.6	 -3531.8	   198.3
-  51833.4570	   258.2	   262.4	 -3535.5	   198.2
-  51866.8672	   259.0	   262.3	 -3534.4	   198.0
-  51900.2969	   271.0	   262.1	 -3522.3	   197.8
-  51933.7500	   249.7	   261.9	 -3543.5	   197.7
-  51967.2266	   256.2	   261.7	 -3536.7	   197.5
-  52000.7188	   248.9	   261.5	 -3543.8	   197.3
-  52034.2383	   261.7	   261.4	 -3530.9	   197.1
-  52067.7773	   258.5	   261.2	 -3533.9	   197.0
-  52101.3359	   256.5	   261.0	 -3535.8	   196.8
-  52134.9180	   259.1	   260.8	 -3533.0	   196.6
-  52168.5234	   260.6	   260.7	 -3531.3	   196.4
-  52202.1484	   252.3	   260.5	 -3539.4	   196.3
-  52235.7969	   260.8	   260.3	 -3530.7	   196.1
-  52269.4648	   253.5	   260.2	 -3537.9	   195.9
-  52303.1562	   248.6	   260.0	 -3542.6	   195.8
-  52336.8672	   253.7	   259.8	 -3537.3	   195.6
-  52370.6016	   244.0	   259.6	 -3546.8	   195.4
-  52404.3555	   250.6	   259.5	 -3540.1	   195.2
-  52438.1367	   246.3	   259.3	 -3544.2	   195.1
-  52471.9336	   256.4	   259.1	 -3533.9	   194.9
-  52505.7539	   258.6	   258.9	 -3531.5	   194.7
-  52539.5977	   250.6	   258.8	 -3539.3	   194.5
-  52573.4609	   266.2	   258.6	 -3523.6	   194.4
-  52607.3477	   260.4	   258.4	 -3529.2	   194.2
-  52641.2578	   264.4	   258.2	 -3525.0	   194.0
-  52675.1875	   265.5	   258.1	 -3523.7	   193.8
-  52709.1406	   261.3	   257.9	 -3527.8	   193.7
-  52743.1133	   252.6	   257.7	 -3536.3	   193.5
-  52777.1094	   256.2	   257.5	 -3532.6	   193.3
-  52811.1289	   249.8	   257.4	 -3538.7	   193.1
-  52845.1680	   245.0	   257.2	 -3543.4	   193.0
-  52879.2266	   257.0	   257.1	 -3531.3	   192.8
-  52913.3125	   254.5	   257.1	 -3533.8	   192.7
-  52947.4180	   252.6	   257.5	 -3536.2	   192.7
-  52981.5430	   260.0	   258.9	 -3530.1	   192.7
-  53015.6953	   267.1	   263.0	 -3527.1	   192.7
-  53049.8672	   267.3	   275.9	 -3539.8	   192.7
-  53084.0586	   314.7	   316.7	 -3533.2	   192.8
-  53118.2734	   466.5	   444.6	 -3509.3	   192.8
-  53152.5117	   845.5	   832.2	 -3517.9	   192.8
-  53186.7734	  1705.1	  1700.9	 -3527.0	   192.8
-  53221.0547	  2523.2	  2481.0	 -3489.1	   192.8
-  53255.3594	  2477.5	  2395.4	 -3449.2	   192.9
-  53289.6836	  2056.8	  1978.5	 -3452.9	   192.9
-  53324.0312	  1636.1	  1614.7	 -3509.7	   192.9
-  53358.4023	  1313.8	  1327.0	 -3544.4	   192.9
-  53392.7930	  1075.0	  1100.1	 -3556.3	   192.9
-  53427.2109	   879.2	   921.3	 -3573.3	   193.0
-  53461.6445	   736.1	   780.3	 -3575.4	   193.0
-  53496.1055	   639.2	   669.2	 -3561.2	   193.0
-  53530.5859	   555.1	   581.6	 -3557.7	   193.0
-  53565.0898	   501.2	   512.7	 -3542.7	   193.0
-  53599.6133	   459.5	   458.3	 -3530.0	   193.1
-  53634.1641	   413.5	   415.5	 -3533.2	   193.1
-  53668.7344	   385.3	   381.9	 -3527.7	   193.1
-  53703.3242	   357.0	   355.3	 -3529.5	   193.1
-  53737.9414	   339.3	   334.4	 -3526.3	   193.1
-  53772.5781	   330.8	   318.0	 -3518.4	   193.1
-  53807.2383	   309.3	   305.1	 -3527.0	   193.2
-  53841.9180	   304.6	   294.9	 -3521.6	   193.2
-  53876.6211	   294.4	   286.9	 -3523.7	   193.2
-  53911.3477	   291.1	   280.6	 -3520.7	   193.2
-  53946.0977	   287.5	   275.7	 -3519.4	   193.2
-  53980.8672	   282.1	   271.8	 -3520.9	   193.3
-  54015.6641	   282.2	   268.8	 -3517.7	   193.3
-  54050.4805	   281.3	   266.4	 -3516.2	   193.3
-  54085.3164	   269.7	   264.5	 -3526.0	   193.3
-  54120.1797	   265.7	   263.0	 -3528.5	   193.3
-  54155.0625	   274.9	   261.9	 -3518.2	   193.4
-  54189.9688	   264.6	   261.0	 -3527.6	   193.4
-  54224.8945	   266.4	   260.3	 -3525.1	   193.4
-  54259.8477	   264.0	   259.7	 -3526.9	   193.4
-  54294.8203	   258.8	   259.3	 -3531.7	   193.4
-  54329.8164	   254.3	   259.0	 -3535.9	   193.5
-  54364.8359	   252.0	   258.7	 -3537.9	   193.5
-  54399.8750	   255.0	   258.5	 -3534.8	   193.5
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+ 101503.1484	   238.4	   263.1	 -3554.7	   198.9
+ 101568.5703	   266.4	   263.0	 -3526.6	   198.8
+ 101634.0391	   298.2	   263.0	 -3494.7	   198.8
+ 101699.5469	   239.2	   263.0	 -3553.7	   198.7
+ 101765.0938	   279.5	   262.9	 -3513.4	   198.7
+ 101830.6875	   259.5	   262.9	 -3533.3	   198.7
+ 101896.3281	   261.6	   262.9	 -3531.2	   198.6
+ 101962.0000	   275.6	   262.8	 -3517.2	   198.6
+ 102027.7266	   303.0	   262.8	 -3489.7	   198.6
+ 102093.4844	   321.8	   262.8	 -3470.9	   198.5
+ 102159.2891	   275.0	   262.7	 -3517.6	   198.5
+ 102225.1406	   323.6	   262.7	 -3469.0	   198.5
+ 102291.0312	   234.6	   262.6	 -3558.0	   198.4
+ 102356.9609	   211.5	   262.6	 -3581.1	   198.4
+ 102422.9375	   272.9	   262.6	 -3519.7	   198.4
+ 102488.9531	   312.7	   262.5	 -3479.8	   198.3
+ 102555.0078	   296.2	   262.5	 -3496.3	   198.3
+ 102621.1172	   228.8	   262.5	 -3563.6	   198.2
+ 102687.2578	   257.6	   262.4	 -3534.8	   198.2
+ 102753.4453	   281.7	   262.4	 -3510.6	   198.2
+ 102819.6797	   268.9	   262.4	 -3523.5	   198.2
+ 102885.9453	   264.6	   262.4	 -3527.8	   198.2
+ 102952.2656	   206.7	   262.4	 -3585.6	   198.2
+ 103018.6250	   236.0	   262.4	 -3556.3	   198.2
+ 103085.0234	   275.1	   262.4	 -3517.3	   198.2
+ 103151.4688	   214.2	   262.4	 -3578.2	   198.2
+ 103217.9531	   256.2	   262.4	 -3536.2	   198.2
+ 103284.4844	   323.9	   262.4	 -3468.5	   198.2
+ 103351.0547	   242.4	   262.4	 -3550.0	   198.2
+ 103417.6719	   277.7	   262.4	 -3514.7	   198.2
    7965.8408	        	        	        	        	       0	(  6 26  0)	  0  1 :  1
    7965.8408	        	        	        	        	       0	( 10 24  6)	  0  1 :  1
    7965.8408	        	        	        	        	       0	( 18 18  8)	  0  1 :  1
    7965.8408	        	        	        	        	       0	( 24 10  6)	  0  1 :  1
    7965.8408	        	        	        	        	       0	( 26  6  0)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	(  5 26  3)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	(  7 25  6)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	(  9 25  2)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	( 10 23  9)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	( 13 21 10)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	( 15 17 14)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	( 15 22  1)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	( 17 15 14)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	( 18 19  5)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	( 19 18  5)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	( 21 13 10)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	( 22 15  1)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	( 23 10  9)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	( 25  7  6)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	( 25  9  2)	  0  1 :  1
-   7977.0718	        	        	        	        	       0	( 26  5  3)	  0  1 :  1
-   7988.3501	        	        	        	        	       0	( 16 16 14)	  0  1 :  1
-   7988.3501	        	        	        	        	       0	( 26  4  4)	  0  1 :  1
-   7999.6763	        	        	        	        	       0	(  9 24  7)	  0  1 :  1
-   7999.6763	        	        	        	        	       0	(  9 25  0)	  0  1 :  1
-   7999.6763	        	        	        	        	       0	( 11 24  3)	  0  1 :  1
-   7999.6763	        	        	        	        	       0	( 12 21 11)	  0  1 :  1
-   7999.6763	        	        	        	        	       0	( 15 20  9)	  0  1 :  1
-   7999.6763	        	        	        	        	       0	( 16 15 15)	  0  1 :  1
-   7999.6763	        	        	        	        	       0	( 16 21  3)	  0  1 :  1
-   7999.6763	        	        	        	        	       0	( 20 15  9)	  0  1 :  1
-   7999.6763	        	        	        	        	       0	( 21 12 11)	  0  1 :  1
-   7999.6763	        	        	        	        	       0	( 21 16  3)	  0  1 :  1
-   7999.6763	        	        	        	        	       0	( 24  9  7)	  0  1 :  1
-   7999.6763	        	        	        	        	       0	( 24 11  3)	  0  1 :  1
-   7999.6763	        	        	        	        	       0	( 25  9  0)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	(  5 26  3)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	(  7 25  6)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	(  9 25  2)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	( 10 23  9)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	( 13 21 10)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	( 15 17 14)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	( 15 22  1)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	( 17 15 14)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	( 18 19  5)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	( 19 18  5)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	( 21 13 10)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	( 22 15  1)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	( 23 10  9)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	( 25  7  6)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	( 25  9  2)	  0  1 :  1
+   7977.0723	        	        	        	        	       0	( 26  5  3)	  0  1 :  1
+   7988.3506	        	        	        	        	       0	( 16 16 14)	  0  1 :  1
+   7988.3506	        	        	        	        	       0	( 26  4  4)	  0  1 :  1
+   7999.6768	        	        	        	        	       0	(  9 24  7)	  0  1 :  1
+   7999.6768	        	        	        	        	       0	(  9 25  0)	  0  1 :  1
+   7999.6768	        	        	        	        	       0	( 11 24  3)	  0  1 :  1
+   7999.6768	        	        	        	        	       0	( 12 21 11)	  0  1 :  1
+   7999.6768	        	        	        	        	       0	( 15 20  9)	  0  1 :  1
+   7999.6768	        	        	        	        	       0	( 16 15 15)	  0  1 :  1
+   7999.6768	        	        	        	        	       0	( 16 21  3)	  0  1 :  1
+   7999.6768	        	        	        	        	       0	( 20 15  9)	  0  1 :  1
+   7999.6768	        	        	        	        	       0	( 21 12 11)	  0  1 :  1
+   7999.6768	        	        	        	        	       0	( 21 16  3)	  0  1 :  1
+   7999.6768	        	        	        	        	       0	( 24  9  7)	  0  1 :  1
+   7999.6768	        	        	        	        	       0	( 24 11  3)	  0  1 :  1
+   7999.6768	        	        	        	        	       0	( 25  9  0)	  0  1 :  1
    8011.0508	        	        	        	        	       0	( 24  8  8)	  0  1 :  1
-   8022.4741	        	        	        	        	       0	(  5 26  1)	  0  1 :  1
-   8022.4741	        	        	        	        	       0	( 13 22  7)	  0  1 :  1
-   8022.4741	        	        	        	        	       0	( 13 23  2)	  0  1 :  1
-   8022.4741	        	        	        	        	       0	( 15 21  6)	  0  1 :  1
-   8022.4741	        	        	        	        	       0	( 21 15  6)	  0  1 :  1
-   8022.4741	        	        	        	        	       0	( 22 13  7)	  0  1 :  1
-   8022.4741	        	        	        	        	       0	( 23 13  2)	  0  1 :  1
-   8022.4741	        	        	        	        	       0	( 26  5  1)	  0  1 :  1
+   8022.4751	        	        	        	        	       0	(  5 26  1)	  0  1 :  1
+   8022.4751	        	        	        	        	       0	( 13 22  7)	  0  1 :  1
+   8022.4751	        	        	        	        	       0	( 13 23  2)	  0  1 :  1
+   8022.4751	        	        	        	        	       0	( 15 21  6)	  0  1 :  1
+   8022.4751	        	        	        	        	       0	( 21 15  6)	  0  1 :  1
+   8022.4751	        	        	        	        	       0	( 22 13  7)	  0  1 :  1
+   8022.4751	        	        	        	        	       0	( 23 13  2)	  0  1 :  1
+   8022.4751	        	        	        	        	       0	( 26  5  1)	  0  1 :  1
    8045.4678	        	        	        	        	       0	(  8 25  3)	  0  1 :  1
    8045.4678	        	        	        	        	       0	( 11 24  1)	  0  1 :  1
    8045.4678	        	        	        	        	       0	( 12 23  5)	  0  1 :  1
@@ -4191,19 +4191,19 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8057.0391	        	        	        	        	       0	( 20 14 10)	  0  1 :  1
    8057.0391	        	        	        	        	       0	( 22 14  4)	  0  1 :  1
    8057.0391	        	        	        	        	       0	( 26  4  2)	  0  1 :  1
-   8068.6602	        	        	        	        	       0	( 17 18  9)	  0  1 :  1
-   8068.6602	        	        	        	        	       0	( 18 17  9)	  0  1 :  1
-   8068.6602	        	        	        	        	       0	( 18 19  3)	  0  1 :  1
-   8068.6602	        	        	        	        	       0	( 19 18  3)	  0  1 :  1
-   8068.6602	        	        	        	        	       0	( 26  3  3)	  0  1 :  1
-   8080.3311	        	        	        	        	       0	(  4 26  0)	  0  1 :  1
-   8080.3311	        	        	        	        	       0	( 10 24  4)	  0  1 :  1
-   8080.3311	        	        	        	        	       0	( 12 22  8)	  0  1 :  1
-   8080.3311	        	        	        	        	       0	( 16 20  6)	  0  1 :  1
-   8080.3311	        	        	        	        	       0	( 20 16  6)	  0  1 :  1
-   8080.3311	        	        	        	        	       0	( 22 12  8)	  0  1 :  1
-   8080.3311	        	        	        	        	       0	( 24 10  4)	  0  1 :  1
-   8080.3311	        	        	        	        	       0	( 26  4  0)	  0  1 :  1
+   8068.6597	        	        	        	        	       0	( 17 18  9)	  0  1 :  1
+   8068.6597	        	        	        	        	       0	( 18 17  9)	  0  1 :  1
+   8068.6597	        	        	        	        	       0	( 18 19  3)	  0  1 :  1
+   8068.6597	        	        	        	        	       0	( 19 18  3)	  0  1 :  1
+   8068.6597	        	        	        	        	       0	( 26  3  3)	  0  1 :  1
+   8080.3306	        	        	        	        	       0	(  4 26  0)	  0  1 :  1
+   8080.3306	        	        	        	        	       0	( 10 24  4)	  0  1 :  1
+   8080.3306	        	        	        	        	       0	( 12 22  8)	  0  1 :  1
+   8080.3306	        	        	        	        	       0	( 16 20  6)	  0  1 :  1
+   8080.3306	        	        	        	        	       0	( 20 16  6)	  0  1 :  1
+   8080.3306	        	        	        	        	       0	( 22 12  8)	  0  1 :  1
+   8080.3306	        	        	        	        	       0	( 24 10  4)	  0  1 :  1
+   8080.3306	        	        	        	        	       0	( 26  4  0)	  0  1 :  1
    8092.0532	        	        	        	        	       0	(  7 25  4)	  0  1 :  1
    8092.0532	        	        	        	        	       0	(  8 25  1)	  0  1 :  1
    8092.0532	        	        	        	        	       0	( 13 20 11)	  0  1 :  1
@@ -4212,7 +4212,7 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8092.0532	        	        	        	        	       0	( 20 17  1)	  0  1 :  1
    8092.0532	        	        	        	        	       0	( 25  7  4)	  0  1 :  1
    8092.0532	        	        	        	        	       0	( 25  8  1)	  0  1 :  1
-   8103.8267	        	        	        	        	       0	( 20 12 12)	  0  1 :  1
+   8103.8257	        	        	        	        	       0	( 20 12 12)	  0  1 :  1
    8115.6504	        	        	        	        	       0	(  3 26  1)	  0  1 :  1
    8115.6504	        	        	        	        	       0	(  6 25  5)	  0  1 :  1
    8115.6504	        	        	        	        	       0	( 11 22  9)	  0  1 :  1
@@ -4229,17 +4229,17 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8115.6504	        	        	        	        	       0	( 23 11  6)	  0  1 :  1
    8115.6504	        	        	        	        	       0	( 25  6  5)	  0  1 :  1
    8115.6504	        	        	        	        	       0	( 26  3  1)	  0  1 :  1
-   8127.5273	        	        	        	        	       0	( 14 22  2)	  0  1 :  1
-   8127.5273	        	        	        	        	       0	( 18 18  6)	  0  1 :  1
-   8127.5273	        	        	        	        	       0	( 22 10 10)	  0  1 :  1
-   8127.5273	        	        	        	        	       0	( 22 14  2)	  0  1 :  1
-   8127.5273	        	        	        	        	       0	( 26  2  2)	  0  1 :  1
-   8139.4561	        	        	        	        	       0	(  9 24  5)	  0  1 :  1
-   8139.4561	        	        	        	        	       0	( 12 23  3)	  0  1 :  1
-   8139.4561	        	        	        	        	       0	( 15 21  4)	  0  1 :  1
-   8139.4561	        	        	        	        	       0	( 21 15  4)	  0  1 :  1
-   8139.4561	        	        	        	        	       0	( 23 12  3)	  0  1 :  1
-   8139.4561	        	        	        	        	       0	( 24  9  5)	  0  1 :  1
+   8127.5269	        	        	        	        	       0	( 14 22  2)	  0  1 :  1
+   8127.5269	        	        	        	        	       0	( 18 18  6)	  0  1 :  1
+   8127.5269	        	        	        	        	       0	( 22 10 10)	  0  1 :  1
+   8127.5269	        	        	        	        	       0	( 22 14  2)	  0  1 :  1
+   8127.5269	        	        	        	        	       0	( 26  2  2)	  0  1 :  1
+   8139.4556	        	        	        	        	       0	(  9 24  5)	  0  1 :  1
+   8139.4556	        	        	        	        	       0	( 12 23  3)	  0  1 :  1
+   8139.4556	        	        	        	        	       0	( 15 21  4)	  0  1 :  1
+   8139.4556	        	        	        	        	       0	( 21 15  4)	  0  1 :  1
+   8139.4556	        	        	        	        	       0	( 23 12  3)	  0  1 :  1
+   8139.4556	        	        	        	        	       0	( 24  9  5)	  0  1 :  1
    8151.4365	        	        	        	        	       0	(  2 26  0)	  0  1 :  1
    8151.4365	        	        	        	        	       0	( 10 24  2)	  0  1 :  1
    8151.4365	        	        	        	        	       0	( 14 22  0)	  0  1 :  1
@@ -4278,12 +4278,12 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8187.6997	        	        	        	        	       0	( 25  7  0)	  0  1 :  1
    8199.8955	        	        	        	        	       0	( 16 20  4)	  0  1 :  1
    8199.8955	        	        	        	        	       0	( 20 16  4)	  0  1 :  1
-   8212.1445	        	        	        	        	       0	(  6 25  3)	  0  1 :  1
-   8212.1445	        	        	        	        	       0	( 15 18 11)	  0  1 :  1
-   8212.1445	        	        	        	        	       0	( 15 21  2)	  0  1 :  1
-   8212.1445	        	        	        	        	       0	( 18 15 11)	  0  1 :  1
-   8212.1445	        	        	        	        	       0	( 21 15  2)	  0  1 :  1
-   8212.1445	        	        	        	        	       0	( 25  6  3)	  0  1 :  1
+   8212.1455	        	        	        	        	       0	(  6 25  3)	  0  1 :  1
+   8212.1455	        	        	        	        	       0	( 15 18 11)	  0  1 :  1
+   8212.1455	        	        	        	        	       0	( 15 21  2)	  0  1 :  1
+   8212.1455	        	        	        	        	       0	( 18 15 11)	  0  1 :  1
+   8212.1455	        	        	        	        	       0	( 21 15  2)	  0  1 :  1
+   8212.1455	        	        	        	        	       0	( 25  6  3)	  0  1 :  1
    8236.8105	        	        	        	        	       0	(  5 25  4)	  0  1 :  1
    8236.8105	        	        	        	        	       0	(  9 24  3)	  0  1 :  1
    8236.8105	        	        	        	        	       0	( 11 23  4)	  0  1 :  1
@@ -4305,25 +4305,25 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8249.2266	        	        	        	        	       0	( 18 14 12)	  0  1 :  1
    8249.2266	        	        	        	        	       0	( 18 18  4)	  0  1 :  1
    8249.2266	        	        	        	        	       0	( 22 12  6)	  0  1 :  1
-   8261.6982	        	        	        	        	       0	(  6 25  1)	  0  1 :  1
-   8261.6982	        	        	        	        	       0	( 11 21 10)	  0  1 :  1
-   8261.6982	        	        	        	        	       0	( 13 22  3)	  0  1 :  1
-   8261.6982	        	        	        	        	       0	( 14 21  5)	  0  1 :  1
-   8261.6982	        	        	        	        	       0	( 17 18  7)	  0  1 :  1
-   8261.6982	        	        	        	        	       0	( 18 13 13)	  0  1 :  1
-   8261.6982	        	        	        	        	       0	( 18 17  7)	  0  1 :  1
-   8261.6982	        	        	        	        	       0	( 21 11 10)	  0  1 :  1
-   8261.6982	        	        	        	        	       0	( 21 14  5)	  0  1 :  1
-   8261.6982	        	        	        	        	       0	( 22 13  3)	  0  1 :  1
-   8261.6982	        	        	        	        	       0	( 25  6  1)	  0  1 :  1
+   8261.6992	        	        	        	        	       0	(  6 25  1)	  0  1 :  1
+   8261.6992	        	        	        	        	       0	( 11 21 10)	  0  1 :  1
+   8261.6992	        	        	        	        	       0	( 13 22  3)	  0  1 :  1
+   8261.6992	        	        	        	        	       0	( 14 21  5)	  0  1 :  1
+   8261.6992	        	        	        	        	       0	( 17 18  7)	  0  1 :  1
+   8261.6992	        	        	        	        	       0	( 18 13 13)	  0  1 :  1
+   8261.6992	        	        	        	        	       0	( 18 17  7)	  0  1 :  1
+   8261.6992	        	        	        	        	       0	( 21 11 10)	  0  1 :  1
+   8261.6992	        	        	        	        	       0	( 21 14  5)	  0  1 :  1
+   8261.6992	        	        	        	        	       0	( 22 13  3)	  0  1 :  1
+   8261.6992	        	        	        	        	       0	( 25  6  1)	  0  1 :  1
    8274.2285	        	        	        	        	       0	( 14 20  8)	  0  1 :  1
    8274.2285	        	        	        	        	       0	( 16 20  2)	  0  1 :  1
    8274.2285	        	        	        	        	       0	( 20 14  8)	  0  1 :  1
    8274.2285	        	        	        	        	       0	( 20 16  2)	  0  1 :  1
-   8286.8135	        	        	        	        	       0	(  9 24  1)	  0  1 :  1
-   8286.8135	        	        	        	        	       0	( 15 17 12)	  0  1 :  1
-   8286.8135	        	        	        	        	       0	( 17 15 12)	  0  1 :  1
-   8286.8135	        	        	        	        	       0	( 24  9  1)	  0  1 :  1
+   8286.8125	        	        	        	        	       0	(  9 24  1)	  0  1 :  1
+   8286.8125	        	        	        	        	       0	( 15 17 12)	  0  1 :  1
+   8286.8125	        	        	        	        	       0	( 17 15 12)	  0  1 :  1
+   8286.8125	        	        	        	        	       0	( 24  9  1)	  0  1 :  1
    8299.4580	        	        	        	        	       0	(  8 24  4)	  0  1 :  1
    8299.4580	        	        	        	        	       0	( 16 16 12)	  0  1 :  1
    8299.4580	        	        	        	        	       0	( 16 20  0)	  0  1 :  1
@@ -4343,7 +4343,7 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8312.1592	        	        	        	        	       0	( 23 10  5)	  0  1 :  1
    8312.1592	        	        	        	        	       0	( 23 11  2)	  0  1 :  1
    8312.1592	        	        	        	        	       0	( 25  5  2)	  0  1 :  1
-   8324.9189	        	        	        	        	       0	( 18 18  2)	  0  1 :  1
+   8324.9199	        	        	        	        	       0	( 18 18  2)	  0  1 :  1
    8337.7373	        	        	        	        	       0	(  4 25  3)	  0  1 :  1
    8337.7373	        	        	        	        	       0	(  5 25  0)	  0  1 :  1
    8337.7373	        	        	        	        	       0	(  7 24  5)	  0  1 :  1
@@ -4362,19 +4362,19 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8337.7373	        	        	        	        	       0	( 24  7  5)	  0  1 :  1
    8337.7373	        	        	        	        	       0	( 25  4  3)	  0  1 :  1
    8337.7373	        	        	        	        	       0	( 25  5  0)	  0  1 :  1
-   8350.6152	        	        	        	        	       0	( 10 22  8)	  0  1 :  1
-   8350.6152	        	        	        	        	       0	( 16 14 14)	  0  1 :  1
-   8350.6152	        	        	        	        	       0	( 18 18  0)	  0  1 :  1
-   8350.6152	        	        	        	        	       0	( 22 10  8)	  0  1 :  1
-   8350.6152	        	        	        	        	       0	( 24  6  6)	  0  1 :  1
-   8363.5537	        	        	        	        	       0	(  9 23  6)	  0  1 :  1
-   8363.5537	        	        	        	        	       0	( 13 21  6)	  0  1 :  1
-   8363.5537	        	        	        	        	       0	( 14 21  3)	  0  1 :  1
-   8363.5537	        	        	        	        	       0	( 15 15 14)	  0  1 :  1
-   8363.5537	        	        	        	        	       0	( 21 13  6)	  0  1 :  1
-   8363.5537	        	        	        	        	       0	( 21 14  3)	  0  1 :  1
-   8363.5537	        	        	        	        	       0	( 22  9  9)	  0  1 :  1
-   8363.5537	        	        	        	        	       0	( 23  9  6)	  0  1 :  1
+   8350.6162	        	        	        	        	       0	( 10 22  8)	  0  1 :  1
+   8350.6162	        	        	        	        	       0	( 16 14 14)	  0  1 :  1
+   8350.6162	        	        	        	        	       0	( 18 18  0)	  0  1 :  1
+   8350.6162	        	        	        	        	       0	( 22 10  8)	  0  1 :  1
+   8350.6162	        	        	        	        	       0	( 24  6  6)	  0  1 :  1
+   8363.5527	        	        	        	        	       0	(  9 23  6)	  0  1 :  1
+   8363.5527	        	        	        	        	       0	( 13 21  6)	  0  1 :  1
+   8363.5527	        	        	        	        	       0	( 14 21  3)	  0  1 :  1
+   8363.5527	        	        	        	        	       0	( 15 15 14)	  0  1 :  1
+   8363.5527	        	        	        	        	       0	( 21 13  6)	  0  1 :  1
+   8363.5527	        	        	        	        	       0	( 21 14  3)	  0  1 :  1
+   8363.5527	        	        	        	        	       0	( 22  9  9)	  0  1 :  1
+   8363.5527	        	        	        	        	       0	( 23  9  6)	  0  1 :  1
    8376.5518	        	        	        	        	       0	(  8 24  2)	  0  1 :  1
    8376.5518	        	        	        	        	       0	( 12 20 10)	  0  1 :  1
    8376.5518	        	        	        	        	       0	( 12 22  4)	  0  1 :  1
@@ -4393,38 +4393,38 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8389.6113	        	        	        	        	       0	( 25  4  1)	  0  1 :  1
    8402.7305	        	        	        	        	       0	(  8 24  0)	  0  1 :  1
    8402.7305	        	        	        	        	       0	( 24  8  0)	  0  1 :  1
-   8415.9121	        	        	        	        	       0	(  3 25  2)	  0  1 :  1
-   8415.9121	        	        	        	        	       0	( 10 23  3)	  0  1 :  1
-   8415.9121	        	        	        	        	       0	( 14 19  9)	  0  1 :  1
-   8415.9121	        	        	        	        	       0	( 14 21  1)	  0  1 :  1
-   8415.9121	        	        	        	        	       0	( 17 18  5)	  0  1 :  1
-   8415.9121	        	        	        	        	       0	( 18 17  5)	  0  1 :  1
-   8415.9121	        	        	        	        	       0	( 19 14  9)	  0  1 :  1
-   8415.9121	        	        	        	        	       0	( 21 14  1)	  0  1 :  1
-   8415.9121	        	        	        	        	       0	( 23 10  3)	  0  1 :  1
-   8415.9121	        	        	        	        	       0	( 25  3  2)	  0  1 :  1
-   8442.4619	        	        	        	        	       0	(  3 25  0)	  0  1 :  1
-   8442.4619	        	        	        	        	       0	(  7 24  3)	  0  1 :  1
-   8442.4619	        	        	        	        	       0	( 12 21  7)	  0  1 :  1
-   8442.4619	        	        	        	        	       0	( 15 20  3)	  0  1 :  1
-   8442.4619	        	        	        	        	       0	( 20 15  3)	  0  1 :  1
-   8442.4619	        	        	        	        	       0	( 21 12  7)	  0  1 :  1
-   8442.4619	        	        	        	        	       0	( 24  7  3)	  0  1 :  1
-   8442.4619	        	        	        	        	       0	( 25  3  0)	  0  1 :  1
+   8415.9131	        	        	        	        	       0	(  3 25  2)	  0  1 :  1
+   8415.9131	        	        	        	        	       0	( 10 23  3)	  0  1 :  1
+   8415.9131	        	        	        	        	       0	( 14 19  9)	  0  1 :  1
+   8415.9131	        	        	        	        	       0	( 14 21  1)	  0  1 :  1
+   8415.9131	        	        	        	        	       0	( 17 18  5)	  0  1 :  1
+   8415.9131	        	        	        	        	       0	( 18 17  5)	  0  1 :  1
+   8415.9131	        	        	        	        	       0	( 19 14  9)	  0  1 :  1
+   8415.9131	        	        	        	        	       0	( 21 14  1)	  0  1 :  1
+   8415.9131	        	        	        	        	       0	( 23 10  3)	  0  1 :  1
+   8415.9131	        	        	        	        	       0	( 25  3  2)	  0  1 :  1
+   8442.4629	        	        	        	        	       0	(  3 25  0)	  0  1 :  1
+   8442.4629	        	        	        	        	       0	(  7 24  3)	  0  1 :  1
+   8442.4629	        	        	        	        	       0	( 12 21  7)	  0  1 :  1
+   8442.4629	        	        	        	        	       0	( 15 20  3)	  0  1 :  1
+   8442.4629	        	        	        	        	       0	( 20 15  3)	  0  1 :  1
+   8442.4629	        	        	        	        	       0	( 21 12  7)	  0  1 :  1
+   8442.4629	        	        	        	        	       0	( 24  7  3)	  0  1 :  1
+   8442.4629	        	        	        	        	       0	( 25  3  0)	  0  1 :  1
    8455.8320	        	        	        	        	       0	( 12 22  2)	  0  1 :  1
    8455.8320	        	        	        	        	       0	( 14 20  6)	  0  1 :  1
    8455.8320	        	        	        	        	       0	( 20 14  6)	  0  1 :  1
    8455.8320	        	        	        	        	       0	( 22 12  2)	  0  1 :  1
-   8469.2646	        	        	        	        	       0	(  2 25  1)	  0  1 :  1
-   8469.2646	        	        	        	        	       0	( 10 23  1)	  0  1 :  1
-   8469.2646	        	        	        	        	       0	( 11 22  5)	  0  1 :  1
-   8469.2646	        	        	        	        	       0	( 13 19 10)	  0  1 :  1
-   8469.2646	        	        	        	        	       0	( 15 18  9)	  0  1 :  1
-   8469.2646	        	        	        	        	       0	( 18 15  9)	  0  1 :  1
-   8469.2646	        	        	        	        	       0	( 19 13 10)	  0  1 :  1
-   8469.2646	        	        	        	        	       0	( 22 11  5)	  0  1 :  1
-   8469.2646	        	        	        	        	       0	( 23 10  1)	  0  1 :  1
-   8469.2646	        	        	        	        	       0	( 25  2  1)	  0  1 :  1
+   8469.2656	        	        	        	        	       0	(  2 25  1)	  0  1 :  1
+   8469.2656	        	        	        	        	       0	( 10 23  1)	  0  1 :  1
+   8469.2656	        	        	        	        	       0	( 11 22  5)	  0  1 :  1
+   8469.2656	        	        	        	        	       0	( 13 19 10)	  0  1 :  1
+   8469.2656	        	        	        	        	       0	( 15 18  9)	  0  1 :  1
+   8469.2656	        	        	        	        	       0	( 18 15  9)	  0  1 :  1
+   8469.2656	        	        	        	        	       0	( 19 13 10)	  0  1 :  1
+   8469.2656	        	        	        	        	       0	( 22 11  5)	  0  1 :  1
+   8469.2656	        	        	        	        	       0	( 23 10  1)	  0  1 :  1
+   8469.2656	        	        	        	        	       0	( 25  2  1)	  0  1 :  1
    8482.7627	        	        	        	        	       0	(  6 24  4)	  0  1 :  1
    8482.7627	        	        	        	        	       0	( 12 22  0)	  0  1 :  1
    8482.7627	        	        	        	        	       0	( 22 12  0)	  0  1 :  1
@@ -4454,10 +4454,10 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8523.6436	        	        	        	        	       0	( 18 17  3)	  0  1 :  1
    8523.6436	        	        	        	        	       0	( 19 15  6)	  0  1 :  1
    8523.6436	        	        	        	        	       0	( 21 10  9)	  0  1 :  1
-   8537.4014	        	        	        	        	       0	( 10 22  6)	  0  1 :  1
-   8537.4014	        	        	        	        	       0	( 14 18 10)	  0  1 :  1
-   8537.4014	        	        	        	        	       0	( 18 14 10)	  0  1 :  1
-   8537.4014	        	        	        	        	       0	( 22 10  6)	  0  1 :  1
+   8537.4023	        	        	        	        	       0	( 10 22  6)	  0  1 :  1
+   8537.4023	        	        	        	        	       0	( 14 18 10)	  0  1 :  1
+   8537.4023	        	        	        	        	       0	( 18 14 10)	  0  1 :  1
+   8537.4023	        	        	        	        	       0	( 22 10  6)	  0  1 :  1
    8551.2275	        	        	        	        	       0	(  8 23  5)	  0  1 :  1
    8551.2275	        	        	        	        	       0	( 13 20  7)	  0  1 :  1
    8551.2275	        	        	        	        	       0	( 16 19  1)	  0  1 :  1
@@ -4485,21 +4485,21 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8579.0811	        	        	        	        	       0	( 22 11  3)	  0  1 :  1
    8579.0811	        	        	        	        	       0	( 23  7  6)	  0  1 :  1
    8579.0811	        	        	        	        	       0	( 23  9  2)	  0  1 :  1
-   8593.1113	        	        	        	        	       0	(  6 24  0)	  0  1 :  1
-   8593.1113	        	        	        	        	       0	( 14 20  4)	  0  1 :  1
-   8593.1113	        	        	        	        	       0	( 16 16 10)	  0  1 :  1
-   8593.1113	        	        	        	        	       0	( 18 12 12)	  0  1 :  1
-   8593.1113	        	        	        	        	       0	( 20 14  4)	  0  1 :  1
-   8593.1113	        	        	        	        	       0	( 22  8  8)	  0  1 :  1
-   8593.1113	        	        	        	        	       0	( 24  6  0)	  0  1 :  1
-   8607.2080	        	        	        	        	       0	(  5 24  3)	  0  1 :  1
-   8607.2080	        	        	        	        	       0	(  9 23  0)	  0  1 :  1
-   8607.2080	        	        	        	        	       0	( 12 21  5)	  0  1 :  1
-   8607.2080	        	        	        	        	       0	( 13 21  0)	  0  1 :  1
-   8607.2080	        	        	        	        	       0	( 21 12  5)	  0  1 :  1
-   8607.2080	        	        	        	        	       0	( 21 13  0)	  0  1 :  1
-   8607.2080	        	        	        	        	       0	( 23  9  0)	  0  1 :  1
-   8607.2080	        	        	        	        	       0	( 24  5  3)	  0  1 :  1
+   8593.1104	        	        	        	        	       0	(  6 24  0)	  0  1 :  1
+   8593.1104	        	        	        	        	       0	( 14 20  4)	  0  1 :  1
+   8593.1104	        	        	        	        	       0	( 16 16 10)	  0  1 :  1
+   8593.1104	        	        	        	        	       0	( 18 12 12)	  0  1 :  1
+   8593.1104	        	        	        	        	       0	( 20 14  4)	  0  1 :  1
+   8593.1104	        	        	        	        	       0	( 22  8  8)	  0  1 :  1
+   8593.1104	        	        	        	        	       0	( 24  6  0)	  0  1 :  1
+   8607.2090	        	        	        	        	       0	(  5 24  3)	  0  1 :  1
+   8607.2090	        	        	        	        	       0	(  9 23  0)	  0  1 :  1
+   8607.2090	        	        	        	        	       0	( 12 21  5)	  0  1 :  1
+   8607.2090	        	        	        	        	       0	( 13 21  0)	  0  1 :  1
+   8607.2090	        	        	        	        	       0	( 21 12  5)	  0  1 :  1
+   8607.2090	        	        	        	        	       0	( 21 13  0)	  0  1 :  1
+   8607.2090	        	        	        	        	       0	( 23  9  0)	  0  1 :  1
+   8607.2090	        	        	        	        	       0	( 24  5  3)	  0  1 :  1
    8621.3760	        	        	        	        	       0	( 12 20  8)	  0  1 :  1
    8621.3760	        	        	        	        	       0	( 20 12  8)	  0  1 :  1
    8621.3760	        	        	        	        	       0	( 24  4  4)	  0  1 :  1
@@ -4526,10 +4526,10 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8678.7520	        	        	        	        	       0	( 20 10 10)	  0  1 :  1
    8678.7520	        	        	        	        	       0	( 20 14  2)	  0  1 :  1
    8678.7520	        	        	        	        	       0	( 22 10  4)	  0  1 :  1
-   8693.2754	        	        	        	        	       0	( 11 21  6)	  0  1 :  1
-   8693.2754	        	        	        	        	       0	( 15 18  7)	  0  1 :  1
-   8693.2754	        	        	        	        	       0	( 18 15  7)	  0  1 :  1
-   8693.2754	        	        	        	        	       0	( 21 11  6)	  0  1 :  1
+   8693.2764	        	        	        	        	       0	( 11 21  6)	  0  1 :  1
+   8693.2764	        	        	        	        	       0	( 15 18  7)	  0  1 :  1
+   8693.2764	        	        	        	        	       0	( 18 15  7)	  0  1 :  1
+   8693.2764	        	        	        	        	       0	( 21 11  6)	  0  1 :  1
    8707.8721	        	        	        	        	       0	(  4 24  2)	  0  1 :  1
    8707.8721	        	        	        	        	       0	( 14 16 12)	  0  1 :  1
    8707.8721	        	        	        	        	       0	( 14 20  0)	  0  1 :  1
@@ -4556,29 +4556,29 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8722.5430	        	        	        	        	       0	( 24  3  3)	  0  1 :  1
    8737.2881	        	        	        	        	       0	(  4 24  0)	  0  1 :  1
    8737.2881	        	        	        	        	       0	( 24  4  0)	  0  1 :  1
-   8752.1084	        	        	        	        	       0	(  6 23  5)	  0  1 :  1
-   8752.1084	        	        	        	        	       0	(  9 22  5)	  0  1 :  1
-   8752.1084	        	        	        	        	       0	( 10 21  7)	  0  1 :  1
-   8752.1084	        	        	        	        	       0	( 14 15 13)	  0  1 :  1
-   8752.1084	        	        	        	        	       0	( 15 14 13)	  0  1 :  1
-   8752.1084	        	        	        	        	       0	( 15 19  2)	  0  1 :  1
-   8752.1084	        	        	        	        	       0	( 19 15  2)	  0  1 :  1
-   8752.1084	        	        	        	        	       0	( 21 10  7)	  0  1 :  1
-   8752.1084	        	        	        	        	       0	( 22  9  5)	  0  1 :  1
-   8752.1084	        	        	        	        	       0	( 23  6  5)	  0  1 :  1
-   8767.0020	        	        	        	        	       0	( 10 22  2)	  0  1 :  1
-   8767.0020	        	        	        	        	       0	( 14 14 14)	  0  1 :  1
-   8767.0020	        	        	        	        	       0	( 22 10  2)	  0  1 :  1
-   8781.9736	        	        	        	        	       0	(  3 24  1)	  0  1 :  1
-   8781.9736	        	        	        	        	       0	(  9 21  8)	  0  1 :  1
-   8781.9736	        	        	        	        	       0	( 12 19  9)	  0  1 :  1
-   8781.9736	        	        	        	        	       0	( 12 21  1)	  0  1 :  1
-   8781.9736	        	        	        	        	       0	( 15 19  0)	  0  1 :  1
-   8781.9736	        	        	        	        	       0	( 19 12  9)	  0  1 :  1
-   8781.9736	        	        	        	        	       0	( 19 15  0)	  0  1 :  1
-   8781.9736	        	        	        	        	       0	( 21  9  8)	  0  1 :  1
-   8781.9736	        	        	        	        	       0	( 21 12  1)	  0  1 :  1
-   8781.9736	        	        	        	        	       0	( 24  3  1)	  0  1 :  1
+   8752.1074	        	        	        	        	       0	(  6 23  5)	  0  1 :  1
+   8752.1074	        	        	        	        	       0	(  9 22  5)	  0  1 :  1
+   8752.1074	        	        	        	        	       0	( 10 21  7)	  0  1 :  1
+   8752.1074	        	        	        	        	       0	( 14 15 13)	  0  1 :  1
+   8752.1074	        	        	        	        	       0	( 15 14 13)	  0  1 :  1
+   8752.1074	        	        	        	        	       0	( 15 19  2)	  0  1 :  1
+   8752.1074	        	        	        	        	       0	( 19 15  2)	  0  1 :  1
+   8752.1074	        	        	        	        	       0	( 21 10  7)	  0  1 :  1
+   8752.1074	        	        	        	        	       0	( 22  9  5)	  0  1 :  1
+   8752.1074	        	        	        	        	       0	( 23  6  5)	  0  1 :  1
+   8767.0029	        	        	        	        	       0	( 10 22  2)	  0  1 :  1
+   8767.0029	        	        	        	        	       0	( 14 14 14)	  0  1 :  1
+   8767.0029	        	        	        	        	       0	( 22 10  2)	  0  1 :  1
+   8781.9746	        	        	        	        	       0	(  3 24  1)	  0  1 :  1
+   8781.9746	        	        	        	        	       0	(  9 21  8)	  0  1 :  1
+   8781.9746	        	        	        	        	       0	( 12 19  9)	  0  1 :  1
+   8781.9746	        	        	        	        	       0	( 12 21  1)	  0  1 :  1
+   8781.9746	        	        	        	        	       0	( 15 19  0)	  0  1 :  1
+   8781.9746	        	        	        	        	       0	( 19 12  9)	  0  1 :  1
+   8781.9746	        	        	        	        	       0	( 19 15  0)	  0  1 :  1
+   8781.9746	        	        	        	        	       0	( 21  9  8)	  0  1 :  1
+   8781.9746	        	        	        	        	       0	( 21 12  1)	  0  1 :  1
+   8781.9746	        	        	        	        	       0	( 24  3  1)	  0  1 :  1
    8797.0225	        	        	        	        	       0	(  8 22  6)	  0  1 :  1
    8797.0225	        	        	        	        	       0	( 10 22  0)	  0  1 :  1
    8797.0225	        	        	        	        	       0	( 14 18  8)	  0  1 :  1
@@ -4596,12 +4596,12 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8812.1475	        	        	        	        	       0	( 19 14  5)	  0  1 :  1
    8812.1475	        	        	        	        	       0	( 22  7  7)	  0  1 :  1
    8812.1475	        	        	        	        	       0	( 23  7  2)	  0  1 :  1
-   8827.3506	        	        	        	        	       0	(  2 24  0)	  0  1 :  1
-   8827.3506	        	        	        	        	       0	( 12 20  6)	  0  1 :  1
-   8827.3506	        	        	        	        	       0	( 16 18  0)	  0  1 :  1
-   8827.3506	        	        	        	        	       0	( 18 16  0)	  0  1 :  1
-   8827.3506	        	        	        	        	       0	( 20 12  6)	  0  1 :  1
-   8827.3506	        	        	        	        	       0	( 24  2  0)	  0  1 :  1
+   8827.3516	        	        	        	        	       0	(  2 24  0)	  0  1 :  1
+   8827.3516	        	        	        	        	       0	( 12 20  6)	  0  1 :  1
+   8827.3516	        	        	        	        	       0	( 16 18  0)	  0  1 :  1
+   8827.3516	        	        	        	        	       0	( 18 16  0)	  0  1 :  1
+   8827.3516	        	        	        	        	       0	( 20 12  6)	  0  1 :  1
+   8827.3516	        	        	        	        	       0	( 24  2  0)	  0  1 :  1
    8842.6348	        	        	        	        	       0	(  7 23  0)	  0  1 :  1
    8842.6348	        	        	        	        	       0	( 11 21  4)	  0  1 :  1
    8842.6348	        	        	        	        	       0	( 13 20  3)	  0  1 :  1
@@ -4612,16 +4612,16 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8842.6348	        	        	        	        	       0	( 21 11  4)	  0  1 :  1
    8842.6348	        	        	        	        	       0	( 23  7  0)	  0  1 :  1
    8842.6348	        	        	        	        	       0	( 24  1  1)	  0  1 :  1
-   8857.9961	        	        	        	        	       0	( 16 16  8)	  0  1 :  1
-   8857.9961	        	        	        	        	       0	( 24  0  0)	  0  1 :  1
-   8873.4385	        	        	        	        	       0	(  6 23  3)	  0  1 :  1
-   8873.4385	        	        	        	        	       0	(  9 22  3)	  0  1 :  1
-   8873.4385	        	        	        	        	       0	( 13 18  9)	  0  1 :  1
-   8873.4385	        	        	        	        	       0	( 15 18  5)	  0  1 :  1
-   8873.4385	        	        	        	        	       0	( 18 13  9)	  0  1 :  1
-   8873.4385	        	        	        	        	       0	( 18 15  5)	  0  1 :  1
-   8873.4385	        	        	        	        	       0	( 22  9  3)	  0  1 :  1
-   8873.4385	        	        	        	        	       0	( 23  6  3)	  0  1 :  1
+   8857.9971	        	        	        	        	       0	( 16 16  8)	  0  1 :  1
+   8857.9971	        	        	        	        	       0	( 24  0  0)	  0  1 :  1
+   8873.4395	        	        	        	        	       0	(  6 23  3)	  0  1 :  1
+   8873.4395	        	        	        	        	       0	(  9 22  3)	  0  1 :  1
+   8873.4395	        	        	        	        	       0	( 13 18  9)	  0  1 :  1
+   8873.4395	        	        	        	        	       0	( 15 18  5)	  0  1 :  1
+   8873.4395	        	        	        	        	       0	( 18 13  9)	  0  1 :  1
+   8873.4395	        	        	        	        	       0	( 18 15  5)	  0  1 :  1
+   8873.4395	        	        	        	        	       0	( 22  9  3)	  0  1 :  1
+   8873.4395	        	        	        	        	       0	( 23  6  3)	  0  1 :  1
    8904.5674	        	        	        	        	       0	(  5 23  4)	  0  1 :  1
    8904.5674	        	        	        	        	       0	( 11 20  7)	  0  1 :  1
    8904.5674	        	        	        	        	       0	( 13 20  1)	  0  1 :  1
@@ -4632,21 +4632,21 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8904.5674	        	        	        	        	       0	( 23  5  4)	  0  1 :  1
    8920.2539	        	        	        	        	       0	( 12 18 10)	  0  1 :  1
    8920.2539	        	        	        	        	       0	( 18 12 10)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	(  6 23  1)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	(  9 22  1)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	( 10 21  5)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	( 11 21  2)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	( 13 19  6)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	( 14 17  9)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	( 14 19  3)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	( 17 14  9)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	( 18 11 11)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	( 19 13  6)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	( 19 14  3)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	( 21 10  5)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	( 21 11  2)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	( 22  9  1)	  0  1 :  1
-   8936.0254	        	        	        	        	       0	( 23  6  1)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	(  6 23  1)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	(  9 22  1)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	( 10 21  5)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	( 11 21  2)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	( 13 19  6)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	( 14 17  9)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	( 14 19  3)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	( 17 14  9)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	( 18 11 11)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	( 19 13  6)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	( 19 14  3)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	( 21 10  5)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	( 21 11  2)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	( 22  9  1)	  0  1 :  1
+   8936.0244	        	        	        	        	       0	( 23  6  1)	  0  1 :  1
    8951.8789	        	        	        	        	       0	(  8 22  4)	  0  1 :  1
    8951.8789	        	        	        	        	       0	( 10 20  8)	  0  1 :  1
    8951.8789	        	        	        	        	       0	( 20 10  8)	  0  1 :  1
@@ -4656,78 +4656,78 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    8967.8184	        	        	        	        	       0	( 16 15  9)	  0  1 :  1
    8967.8184	        	        	        	        	       0	( 20  9  9)	  0  1 :  1
    8967.8184	        	        	        	        	       0	( 21 11  0)	  0  1 :  1
-   8983.8428	        	        	        	        	       0	( 12 20  4)	  0  1 :  1
-   8983.8428	        	        	        	        	       0	( 20 12  4)	  0  1 :  1
-   8999.9521	        	        	        	        	       0	(  5 23  2)	  0  1 :  1
-   8999.9521	        	        	        	        	       0	(  7 22  5)	  0  1 :  1
-   8999.9521	        	        	        	        	       0	(  9 21  6)	  0  1 :  1
-   8999.9521	        	        	        	        	       0	( 13 17 10)	  0  1 :  1
-   8999.9521	        	        	        	        	       0	( 14 19  1)	  0  1 :  1
-   8999.9521	        	        	        	        	       0	( 15 18  3)	  0  1 :  1
-   8999.9521	        	        	        	        	       0	( 17 13 10)	  0  1 :  1
-   8999.9521	        	        	        	        	       0	( 18 15  3)	  0  1 :  1
-   8999.9521	        	        	        	        	       0	( 19 14  1)	  0  1 :  1
-   8999.9521	        	        	        	        	       0	( 21  9  6)	  0  1 :  1
-   8999.9521	        	        	        	        	       0	( 22  7  5)	  0  1 :  1
-   8999.9521	        	        	        	        	       0	( 23  5  2)	  0  1 :  1
+   8983.8418	        	        	        	        	       0	( 12 20  4)	  0  1 :  1
+   8983.8418	        	        	        	        	       0	( 20 12  4)	  0  1 :  1
+   8999.9531	        	        	        	        	       0	(  5 23  2)	  0  1 :  1
+   8999.9531	        	        	        	        	       0	(  7 22  5)	  0  1 :  1
+   8999.9531	        	        	        	        	       0	(  9 21  6)	  0  1 :  1
+   8999.9531	        	        	        	        	       0	( 13 17 10)	  0  1 :  1
+   8999.9531	        	        	        	        	       0	( 14 19  1)	  0  1 :  1
+   8999.9531	        	        	        	        	       0	( 15 18  3)	  0  1 :  1
+   8999.9531	        	        	        	        	       0	( 17 13 10)	  0  1 :  1
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+   8999.9531	        	        	        	        	       0	( 19 14  1)	  0  1 :  1
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+   8999.9531	        	        	        	        	       0	( 23  5  2)	  0  1 :  1
    9016.1494	        	        	        	        	       0	( 14 18  6)	  0  1 :  1
    9016.1494	        	        	        	        	       0	( 18 14  6)	  0  1 :  1
    9016.1494	        	        	        	        	       0	( 22  6  6)	  0  1 :  1
-   9032.4346	        	        	        	        	       0	(  4 23  3)	  0  1 :  1
-   9032.4346	        	        	        	        	       0	(  5 23  0)	  0  1 :  1
-   9032.4346	        	        	        	        	       0	(  8 21  7)	  0  1 :  1
-   9032.4346	        	        	        	        	       0	( 12 17 11)	  0  1 :  1
-   9032.4346	        	        	        	        	       0	( 12 19  7)	  0  1 :  1
-   9032.4346	        	        	        	        	       0	( 16 17  3)	  0  1 :  1
-   9032.4346	        	        	        	        	       0	( 17 12 11)	  0  1 :  1
-   9032.4346	        	        	        	        	       0	( 17 16  3)	  0  1 :  1
-   9032.4346	        	        	        	        	       0	( 19 12  7)	  0  1 :  1
-   9032.4346	        	        	        	        	       0	( 21  8  7)	  0  1 :  1
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-   9032.4346	        	        	        	        	       0	( 23  5  0)	  0  1 :  1
-   9048.8066	        	        	        	        	       0	(  8 22  2)	  0  1 :  1
-   9048.8066	        	        	        	        	       0	( 14 16 10)	  0  1 :  1
-   9048.8066	        	        	        	        	       0	( 16 14 10)	  0  1 :  1
-   9048.8066	        	        	        	        	       0	( 22  8  2)	  0  1 :  1
-   9065.2686	        	        	        	        	       0	( 10 21  3)	  0  1 :  1
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-   9065.2686	        	        	        	        	       0	( 21 10  3)	  0  1 :  1
-   9081.8213	        	        	        	        	       0	(  8 22  0)	  0  1 :  1
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-   9081.8213	        	        	        	        	       0	( 16 16  6)	  0  1 :  1
-   9081.8213	        	        	        	        	       0	( 20 12  2)	  0  1 :  1
-   9081.8213	        	        	        	        	       0	( 22  8  0)	  0  1 :  1
-   9098.4658	        	        	        	        	       0	(  4 23  1)	  0  1 :  1
-   9098.4658	        	        	        	        	       0	( 11 19  8)	  0  1 :  1
-   9098.4658	        	        	        	        	       0	( 11 20  5)	  0  1 :  1
-   9098.4658	        	        	        	        	       0	( 13 16 11)	  0  1 :  1
-   9098.4658	        	        	        	        	       0	( 13 19  4)	  0  1 :  1
-   9098.4658	        	        	        	        	       0	( 16 13 11)	  0  1 :  1
-   9098.4658	        	        	        	        	       0	( 16 17  1)	  0  1 :  1
-   9098.4658	        	        	        	        	       0	( 17 16  1)	  0  1 :  1
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    9115.2002	        	        	        	        	       0	( 12 20  0)	  0  1 :  1
    9115.2002	        	        	        	        	       0	( 16 12 12)	  0  1 :  1
    9115.2002	        	        	        	        	       0	( 20 12  0)	  0  1 :  1
-   9132.0273	        	        	        	        	       0	(  3 23  2)	  0  1 :  1
-   9132.0273	        	        	        	        	       0	(  7 22  3)	  0  1 :  1
-   9132.0273	        	        	        	        	       0	( 10 19  9)	  0  1 :  1
-   9132.0273	        	        	        	        	       0	( 10 21  1)	  0  1 :  1
-   9132.0273	        	        	        	        	       0	( 13 18  7)	  0  1 :  1
-   9132.0273	        	        	        	        	       0	( 14 15 11)	  0  1 :  1
-   9132.0273	        	        	        	        	       0	( 15 14 11)	  0  1 :  1
-   9132.0273	        	        	        	        	       0	( 18 13  7)	  0  1 :  1
-   9132.0273	        	        	        	        	       0	( 19 10  9)	  0  1 :  1
-   9132.0273	        	        	        	        	       0	( 21 10  1)	  0  1 :  1
-   9132.0273	        	        	        	        	       0	( 22  7  3)	  0  1 :  1
-   9132.0273	        	        	        	        	       0	( 23  3  2)	  0  1 :  1
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+   9132.0283	        	        	        	        	       0	(  7 22  3)	  0  1 :  1
+   9132.0283	        	        	        	        	       0	( 10 19  9)	  0  1 :  1
+   9132.0283	        	        	        	        	       0	( 10 21  1)	  0  1 :  1
+   9132.0283	        	        	        	        	       0	( 13 18  7)	  0  1 :  1
+   9132.0283	        	        	        	        	       0	( 14 15 11)	  0  1 :  1
+   9132.0283	        	        	        	        	       0	( 15 14 11)	  0  1 :  1
+   9132.0283	        	        	        	        	       0	( 18 13  7)	  0  1 :  1
+   9132.0283	        	        	        	        	       0	( 19 10  9)	  0  1 :  1
+   9132.0283	        	        	        	        	       0	( 21 10  1)	  0  1 :  1
+   9132.0283	        	        	        	        	       0	( 22  7  3)	  0  1 :  1
+   9132.0283	        	        	        	        	       0	( 23  3  2)	  0  1 :  1
    9165.9639	        	        	        	        	       0	(  3 23  0)	  0  1 :  1
    9165.9639	        	        	        	        	       0	(  9 21  4)	  0  1 :  1
    9165.9639	        	        	        	        	       0	( 13 15 12)	  0  1 :  1
@@ -4753,24 +4753,24 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    9200.2793	        	        	        	        	       0	( 23  2  1)	  0  1 :  1
    9217.5830	        	        	        	        	       0	( 12 18  8)	  0  1 :  1
    9217.5830	        	        	        	        	       0	( 18 12  8)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	(  1 23  0)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	(  8 21  5)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	(  9 20  7)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	( 11 20  3)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	( 12 19  5)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	( 13 19  0)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	( 15 16  7)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	( 15 17  4)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	( 16 15  7)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	( 17 15  4)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	( 19 12  5)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	( 19 13  0)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	( 20  9  7)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	( 20 11  3)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	( 21  8  5)	  0  1 :  1
-   9234.9834	        	        	        	        	       0	( 23  1  0)	  0  1 :  1
-   9252.4834	        	        	        	        	       0	( 16 16  4)	  0  1 :  1
-   9252.4834	        	        	        	        	       0	( 20  8  8)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	(  1 23  0)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	(  8 21  5)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	(  9 20  7)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	( 11 20  3)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	( 12 19  5)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	( 13 19  0)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	( 15 16  7)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	( 15 17  4)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	( 16 15  7)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	( 17 15  4)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	( 19 12  5)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	( 19 13  0)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	( 20  9  7)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	( 20 11  3)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	( 21  8  5)	  0  1 :  1
+   9234.9844	        	        	        	        	       0	( 23  1  0)	  0  1 :  1
+   9252.4844	        	        	        	        	       0	( 16 16  4)	  0  1 :  1
+   9252.4844	        	        	        	        	       0	( 20  8  8)	  0  1 :  1
    9270.0840	        	        	        	        	       0	(  7 21  6)	  0  1 :  1
    9270.0840	        	        	        	        	       0	(  9 21  2)	  0  1 :  1
    9270.0840	        	        	        	        	       0	( 11 18  9)	  0  1 :  1
@@ -4782,48 +4782,48 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    9287.7832	        	        	        	        	       0	( 18 10 10)	  0  1 :  1
    9287.7832	        	        	        	        	       0	( 18 14  2)	  0  1 :  1
    9287.7832	        	        	        	        	       0	( 22  6  2)	  0  1 :  1
-   9305.5850	        	        	        	        	       0	(  9 21  0)	  0  1 :  1
-   9305.5850	        	        	        	        	       0	( 11 20  1)	  0  1 :  1
-   9305.5850	        	        	        	        	       0	( 13 17  8)	  0  1 :  1
-   9305.5850	        	        	        	        	       0	( 17 13  8)	  0  1 :  1
-   9305.5850	        	        	        	        	       0	( 20 11  1)	  0  1 :  1
-   9305.5850	        	        	        	        	       0	( 21  9  0)	  0  1 :  1
-   9323.4902	        	        	        	        	       0	(  6 22  0)	  0  1 :  1
-   9323.4902	        	        	        	        	       0	( 14 18  0)	  0  1 :  1
-   9323.4902	        	        	        	        	       0	( 18 14  0)	  0  1 :  1
-   9323.4902	        	        	        	        	       0	( 22  6  0)	  0  1 :  1
-   9341.4971	        	        	        	        	       0	(  5 22  3)	  0  1 :  1
-   9341.4971	        	        	        	        	       0	( 11 19  6)	  0  1 :  1
-   9341.4971	        	        	        	        	       0	( 13 18  5)	  0  1 :  1
-   9341.4971	        	        	        	        	       0	( 15 17  2)	  0  1 :  1
-   9341.4971	        	        	        	        	       0	( 17 15  2)	  0  1 :  1
-   9341.4971	        	        	        	        	       0	( 18 13  5)	  0  1 :  1
-   9341.4971	        	        	        	        	       0	( 19 11  6)	  0  1 :  1
-   9341.4971	        	        	        	        	       0	( 22  5  3)	  0  1 :  1
+   9305.5840	        	        	        	        	       0	(  9 21  0)	  0  1 :  1
+   9305.5840	        	        	        	        	       0	( 11 20  1)	  0  1 :  1
+   9305.5840	        	        	        	        	       0	( 13 17  8)	  0  1 :  1
+   9305.5840	        	        	        	        	       0	( 17 13  8)	  0  1 :  1
+   9305.5840	        	        	        	        	       0	( 20 11  1)	  0  1 :  1
+   9305.5840	        	        	        	        	       0	( 21  9  0)	  0  1 :  1
+   9323.4893	        	        	        	        	       0	(  6 22  0)	  0  1 :  1
+   9323.4893	        	        	        	        	       0	( 14 18  0)	  0  1 :  1
+   9323.4893	        	        	        	        	       0	( 18 14  0)	  0  1 :  1
+   9323.4893	        	        	        	        	       0	( 22  6  0)	  0  1 :  1
+   9341.4990	        	        	        	        	       0	(  5 22  3)	  0  1 :  1
+   9341.4990	        	        	        	        	       0	( 11 19  6)	  0  1 :  1
+   9341.4990	        	        	        	        	       0	( 13 18  5)	  0  1 :  1
+   9341.4990	        	        	        	        	       0	( 15 17  2)	  0  1 :  1
+   9341.4990	        	        	        	        	       0	( 17 15  2)	  0  1 :  1
+   9341.4990	        	        	        	        	       0	( 18 13  5)	  0  1 :  1
+   9341.4990	        	        	        	        	       0	( 19 11  6)	  0  1 :  1
+   9341.4990	        	        	        	        	       0	( 22  5  3)	  0  1 :  1
    9359.6104	        	        	        	        	       0	( 10 20  4)	  0  1 :  1
    9359.6104	        	        	        	        	       0	( 14 16  8)	  0  1 :  1
    9359.6104	        	        	        	        	       0	( 16 14  8)	  0  1 :  1
    9359.6104	        	        	        	        	       0	( 16 16  2)	  0  1 :  1
    9359.6104	        	        	        	        	       0	( 20 10  4)	  0  1 :  1
    9359.6104	        	        	        	        	       0	( 22  4  4)	  0  1 :  1
-   9377.8291	        	        	        	        	       0	(  8 21  3)	  0  1 :  1
-   9377.8291	        	        	        	        	       0	( 12 17  9)	  0  1 :  1
-   9377.8291	        	        	        	        	       0	( 12 19  3)	  0  1 :  1
-   9377.8291	        	        	        	        	       0	( 15 15  8)	  0  1 :  1
-   9377.8291	        	        	        	        	       0	( 15 17  0)	  0  1 :  1
-   9377.8291	        	        	        	        	       0	( 17 12  9)	  0  1 :  1
-   9377.8291	        	        	        	        	       0	( 17 15  0)	  0  1 :  1
-   9377.8291	        	        	        	        	       0	( 19 12  3)	  0  1 :  1
-   9377.8291	        	        	        	        	       0	( 21  8  3)	  0  1 :  1
+   9377.8301	        	        	        	        	       0	(  8 21  3)	  0  1 :  1
+   9377.8301	        	        	        	        	       0	( 12 17  9)	  0  1 :  1
+   9377.8301	        	        	        	        	       0	( 12 19  3)	  0  1 :  1
+   9377.8301	        	        	        	        	       0	( 15 15  8)	  0  1 :  1
+   9377.8301	        	        	        	        	       0	( 15 17  0)	  0  1 :  1
+   9377.8301	        	        	        	        	       0	( 17 12  9)	  0  1 :  1
+   9377.8301	        	        	        	        	       0	( 17 15  0)	  0  1 :  1
+   9377.8301	        	        	        	        	       0	( 19 12  3)	  0  1 :  1
+   9377.8301	        	        	        	        	       0	( 21  8  3)	  0  1 :  1
    9396.1543	        	        	        	        	       0	( 16 16  0)	  0  1 :  1
-   9414.5859	        	        	        	        	       0	(  5 22  1)	  0  1 :  1
-   9414.5859	        	        	        	        	       0	( 10 19  7)	  0  1 :  1
-   9414.5859	        	        	        	        	       0	( 11 17 10)	  0  1 :  1
-   9414.5859	        	        	        	        	       0	( 14 17  5)	  0  1 :  1
-   9414.5859	        	        	        	        	       0	( 17 11 10)	  0  1 :  1
-   9414.5859	        	        	        	        	       0	( 17 14  5)	  0  1 :  1
-   9414.5859	        	        	        	        	       0	( 19 10  7)	  0  1 :  1
-   9414.5859	        	        	        	        	       0	( 22  5  1)	  0  1 :  1
+   9414.5869	        	        	        	        	       0	(  5 22  1)	  0  1 :  1
+   9414.5869	        	        	        	        	       0	( 10 19  7)	  0  1 :  1
+   9414.5869	        	        	        	        	       0	( 11 17 10)	  0  1 :  1
+   9414.5869	        	        	        	        	       0	( 14 17  5)	  0  1 :  1
+   9414.5869	        	        	        	        	       0	( 17 11 10)	  0  1 :  1
+   9414.5869	        	        	        	        	       0	( 17 14  5)	  0  1 :  1
+   9414.5869	        	        	        	        	       0	( 19 10  7)	  0  1 :  1
+   9414.5869	        	        	        	        	       0	( 22  5  1)	  0  1 :  1
    9451.7783	        	        	        	        	       0	(  7 21  4)	  0  1 :  1
    9451.7783	        	        	        	        	       0	(  8 21  1)	  0  1 :  1
    9451.7783	        	        	        	        	       0	(  9 19  8)	  0  1 :  1
@@ -4844,41 +4844,41 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    9470.5400	        	        	        	        	       0	( 18 12  6)	  0  1 :  1
    9470.5400	        	        	        	        	       0	( 20 10  2)	  0  1 :  1
    9470.5400	        	        	        	        	       0	( 22  4  2)	  0  1 :  1
-   9489.4150	        	        	        	        	       0	(  6 21  5)	  0  1 :  1
-   9489.4150	        	        	        	        	       0	( 13 18  3)	  0  1 :  1
-   9489.4150	        	        	        	        	       0	( 14 15  9)	  0  1 :  1
-   9489.4150	        	        	        	        	       0	( 15 14  9)	  0  1 :  1
-   9489.4150	        	        	        	        	       0	( 18 13  3)	  0  1 :  1
-   9489.4150	        	        	        	        	       0	( 21  6  5)	  0  1 :  1
-   9489.4150	        	        	        	        	       0	( 22  3  3)	  0  1 :  1
-   9508.4014	        	        	        	        	       0	(  4 22  0)	  0  1 :  1
-   9508.4014	        	        	        	        	       0	(  8 20  6)	  0  1 :  1
-   9508.4014	        	        	        	        	       0	( 10 20  0)	  0  1 :  1
-   9508.4014	        	        	        	        	       0	( 12 16 10)	  0  1 :  1
-   9508.4014	        	        	        	        	       0	( 16 12 10)	  0  1 :  1
-   9508.4014	        	        	        	        	       0	( 20  8  6)	  0  1 :  1
-   9508.4014	        	        	        	        	       0	( 20 10  0)	  0  1 :  1
-   9508.4014	        	        	        	        	       0	( 22  4  0)	  0  1 :  1
-   9527.5029	        	        	        	        	       0	( 11 19  4)	  0  1 :  1
-   9527.5029	        	        	        	        	       0	( 16 11 11)	  0  1 :  1
-   9527.5029	        	        	        	        	       0	( 19 11  4)	  0  1 :  1
-   9527.5029	        	        	        	        	       0	( 20  7  7)	  0  1 :  1
-   9566.0527	        	        	        	        	       0	(  3 22  1)	  0  1 :  1
-   9566.0527	        	        	        	        	       0	(  7 21  2)	  0  1 :  1
-   9566.0527	        	        	        	        	       0	( 11 18  7)	  0  1 :  1
-   9566.0527	        	        	        	        	       0	( 13 15 10)	  0  1 :  1
-   9566.0527	        	        	        	        	       0	( 13 17  6)	  0  1 :  1
-   9566.0527	        	        	        	        	       0	( 13 18  1)	  0  1 :  1
-   9566.0527	        	        	        	        	       0	( 14 17  3)	  0  1 :  1
-   9566.0527	        	        	        	        	       0	( 15 13 10)	  0  1 :  1
-   9566.0527	        	        	        	        	       0	( 17 13  6)	  0  1 :  1
-   9566.0527	        	        	        	        	       0	( 17 14  3)	  0  1 :  1
-   9566.0527	        	        	        	        	       0	( 18 11  7)	  0  1 :  1
-   9566.0527	        	        	        	        	       0	( 18 13  1)	  0  1 :  1
-   9566.0527	        	        	        	        	       0	( 21  7  2)	  0  1 :  1
-   9566.0527	        	        	        	        	       0	( 22  3  1)	  0  1 :  1
-   9585.5039	        	        	        	        	       0	( 14 14 10)	  0  1 :  1
-   9585.5039	        	        	        	        	       0	( 22  2  2)	  0  1 :  1
+   9489.4141	        	        	        	        	       0	(  6 21  5)	  0  1 :  1
+   9489.4141	        	        	        	        	       0	( 13 18  3)	  0  1 :  1
+   9489.4141	        	        	        	        	       0	( 14 15  9)	  0  1 :  1
+   9489.4141	        	        	        	        	       0	( 15 14  9)	  0  1 :  1
+   9489.4141	        	        	        	        	       0	( 18 13  3)	  0  1 :  1
+   9489.4141	        	        	        	        	       0	( 21  6  5)	  0  1 :  1
+   9489.4141	        	        	        	        	       0	( 22  3  3)	  0  1 :  1
+   9508.4023	        	        	        	        	       0	(  4 22  0)	  0  1 :  1
+   9508.4023	        	        	        	        	       0	(  8 20  6)	  0  1 :  1
+   9508.4023	        	        	        	        	       0	( 10 20  0)	  0  1 :  1
+   9508.4023	        	        	        	        	       0	( 12 16 10)	  0  1 :  1
+   9508.4023	        	        	        	        	       0	( 16 12 10)	  0  1 :  1
+   9508.4023	        	        	        	        	       0	( 20  8  6)	  0  1 :  1
+   9508.4023	        	        	        	        	       0	( 20 10  0)	  0  1 :  1
+   9508.4023	        	        	        	        	       0	( 22  4  0)	  0  1 :  1
+   9527.5039	        	        	        	        	       0	( 11 19  4)	  0  1 :  1
+   9527.5039	        	        	        	        	       0	( 16 11 11)	  0  1 :  1
+   9527.5039	        	        	        	        	       0	( 19 11  4)	  0  1 :  1
+   9527.5039	        	        	        	        	       0	( 20  7  7)	  0  1 :  1
+   9566.0537	        	        	        	        	       0	(  3 22  1)	  0  1 :  1
+   9566.0537	        	        	        	        	       0	(  7 21  2)	  0  1 :  1
+   9566.0537	        	        	        	        	       0	( 11 18  7)	  0  1 :  1
+   9566.0537	        	        	        	        	       0	( 13 15 10)	  0  1 :  1
+   9566.0537	        	        	        	        	       0	( 13 17  6)	  0  1 :  1
+   9566.0537	        	        	        	        	       0	( 13 18  1)	  0  1 :  1
+   9566.0537	        	        	        	        	       0	( 14 17  3)	  0  1 :  1
+   9566.0537	        	        	        	        	       0	( 15 13 10)	  0  1 :  1
+   9566.0537	        	        	        	        	       0	( 17 13  6)	  0  1 :  1
+   9566.0537	        	        	        	        	       0	( 17 14  3)	  0  1 :  1
+   9566.0537	        	        	        	        	       0	( 18 11  7)	  0  1 :  1
+   9566.0537	        	        	        	        	       0	( 18 13  1)	  0  1 :  1
+   9566.0537	        	        	        	        	       0	( 21  7  2)	  0  1 :  1
+   9566.0537	        	        	        	        	       0	( 22  3  1)	  0  1 :  1
+   9585.5049	        	        	        	        	       0	( 14 14 10)	  0  1 :  1
+   9585.5049	        	        	        	        	       0	( 22  2  2)	  0  1 :  1
    9605.0742	        	        	        	        	       0	(  7 21  0)	  0  1 :  1
    9605.0742	        	        	        	        	       0	(  9 20  3)	  0  1 :  1
    9605.0742	        	        	        	        	       0	( 12 15 11)	  0  1 :  1
@@ -4887,25 +4887,25 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    9605.0742	        	        	        	        	       0	( 16 15  3)	  0  1 :  1
    9605.0742	        	        	        	        	       0	( 20  9  3)	  0  1 :  1
    9605.0742	        	        	        	        	       0	( 21  7  0)	  0  1 :  1
-   9624.7646	        	        	        	        	       0	(  2 22  0)	  0  1 :  1
-   9624.7646	        	        	        	        	       0	( 10 18  8)	  0  1 :  1
-   9624.7646	        	        	        	        	       0	( 14 16  6)	  0  1 :  1
-   9624.7646	        	        	        	        	       0	( 16 14  6)	  0  1 :  1
-   9624.7646	        	        	        	        	       0	( 18 10  8)	  0  1 :  1
-   9624.7646	        	        	        	        	       0	( 22  2  0)	  0  1 :  1
-   9644.5762	        	        	        	        	       0	(  6 21  3)	  0  1 :  1
-   9644.5762	        	        	        	        	       0	( 10 19  5)	  0  1 :  1
-   9644.5762	        	        	        	        	       0	( 11 19  2)	  0  1 :  1
-   9644.5762	        	        	        	        	       0	( 13 14 11)	  0  1 :  1
-   9644.5762	        	        	        	        	       0	( 14 13 11)	  0  1 :  1
-   9644.5762	        	        	        	        	       0	( 14 17  1)	  0  1 :  1
-   9644.5762	        	        	        	        	       0	( 15 15  6)	  0  1 :  1
-   9644.5762	        	        	        	        	       0	( 17 14  1)	  0  1 :  1
-   9644.5762	        	        	        	        	       0	( 18  9  9)	  0  1 :  1
-   9644.5762	        	        	        	        	       0	( 19 10  5)	  0  1 :  1
-   9644.5762	        	        	        	        	       0	( 19 11  2)	  0  1 :  1
-   9644.5762	        	        	        	        	       0	( 21  6  3)	  0  1 :  1
-   9644.5762	        	        	        	        	       0	( 22  1  1)	  0  1 :  1
+   9624.7656	        	        	        	        	       0	(  2 22  0)	  0  1 :  1
+   9624.7656	        	        	        	        	       0	( 10 18  8)	  0  1 :  1
+   9624.7656	        	        	        	        	       0	( 14 16  6)	  0  1 :  1
+   9624.7656	        	        	        	        	       0	( 16 14  6)	  0  1 :  1
+   9624.7656	        	        	        	        	       0	( 18 10  8)	  0  1 :  1
+   9624.7656	        	        	        	        	       0	( 22  2  0)	  0  1 :  1
+   9644.5771	        	        	        	        	       0	(  6 21  3)	  0  1 :  1
+   9644.5771	        	        	        	        	       0	( 10 19  5)	  0  1 :  1
+   9644.5771	        	        	        	        	       0	( 11 19  2)	  0  1 :  1
+   9644.5771	        	        	        	        	       0	( 13 14 11)	  0  1 :  1
+   9644.5771	        	        	        	        	       0	( 14 13 11)	  0  1 :  1
+   9644.5771	        	        	        	        	       0	( 14 17  1)	  0  1 :  1
+   9644.5771	        	        	        	        	       0	( 15 15  6)	  0  1 :  1
+   9644.5771	        	        	        	        	       0	( 17 14  1)	  0  1 :  1
+   9644.5771	        	        	        	        	       0	( 18  9  9)	  0  1 :  1
+   9644.5771	        	        	        	        	       0	( 19 10  5)	  0  1 :  1
+   9644.5771	        	        	        	        	       0	( 19 11  2)	  0  1 :  1
+   9644.5771	        	        	        	        	       0	( 21  6  3)	  0  1 :  1
+   9644.5771	        	        	        	        	       0	( 22  1  1)	  0  1 :  1
    9664.5107	        	        	        	        	       0	( 12 18  4)	  0  1 :  1
    9664.5107	        	        	        	        	       0	( 14 12 12)	  0  1 :  1
    9664.5107	        	        	        	        	       0	( 18 12  4)	  0  1 :  1
@@ -4921,35 +4921,35 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    9684.5703	        	        	        	        	       0	( 19 11  0)	  0  1 :  1
    9684.5703	        	        	        	        	       0	( 20  9  1)	  0  1 :  1
    9684.5703	        	        	        	        	       0	( 21  5  4)	  0  1 :  1
-   9704.7529	        	        	        	        	       0	(  8 20  4)	  0  1 :  1
-   9704.7529	        	        	        	        	       0	( 20  8  4)	  0  1 :  1
-   9725.0625	        	        	        	        	       0	(  6 21  1)	  0  1 :  1
-   9725.0625	        	        	        	        	       0	(  9 19  6)	  0  1 :  1
-   9725.0625	        	        	        	        	       0	( 19  9  6)	  0  1 :  1
-   9725.0625	        	        	        	        	       0	( 21  6  1)	  0  1 :  1
-   9766.0684	        	        	        	        	       0	(  7 20  5)	  0  1 :  1
-   9766.0684	        	        	        	        	       0	(  8 19  7)	  0  1 :  1
-   9766.0684	        	        	        	        	       0	( 11 17  8)	  0  1 :  1
-   9766.0684	        	        	        	        	       0	( 13 16  7)	  0  1 :  1
-   9766.0684	        	        	        	        	       0	( 13 17  4)	  0  1 :  1
-   9766.0684	        	        	        	        	       0	( 16 13  7)	  0  1 :  1
-   9766.0684	        	        	        	        	       0	( 17 11  8)	  0  1 :  1
-   9766.0684	        	        	        	        	       0	( 17 13  4)	  0  1 :  1
-   9766.0684	        	        	        	        	       0	( 19  8  7)	  0  1 :  1
-   9766.0684	        	        	        	        	       0	( 20  7  5)	  0  1 :  1
-   9786.7656	        	        	        	        	       0	( 12 18  2)	  0  1 :  1
-   9786.7656	        	        	        	        	       0	( 18 12  2)	  0  1 :  1
-   9786.7656	        	        	        	        	       0	( 20  6  6)	  0  1 :  1
-   9807.5957	        	        	        	        	       0	(  5 21  2)	  0  1 :  1
-   9807.5957	        	        	        	        	       0	( 10 17  9)	  0  1 :  1
-   9807.5957	        	        	        	        	       0	( 10 19  3)	  0  1 :  1
-   9807.5957	        	        	        	        	       0	( 11 18  5)	  0  1 :  1
-   9807.5957	        	        	        	        	       0	( 14 15  7)	  0  1 :  1
-   9807.5957	        	        	        	        	       0	( 15 14  7)	  0  1 :  1
-   9807.5957	        	        	        	        	       0	( 17 10  9)	  0  1 :  1
-   9807.5957	        	        	        	        	       0	( 18 11  5)	  0  1 :  1
-   9807.5957	        	        	        	        	       0	( 19 10  3)	  0  1 :  1
-   9807.5957	        	        	        	        	       0	( 21  5  2)	  0  1 :  1
+   9704.7539	        	        	        	        	       0	(  8 20  4)	  0  1 :  1
+   9704.7539	        	        	        	        	       0	( 20  8  4)	  0  1 :  1
+   9725.0645	        	        	        	        	       0	(  6 21  1)	  0  1 :  1
+   9725.0645	        	        	        	        	       0	(  9 19  6)	  0  1 :  1
+   9725.0645	        	        	        	        	       0	( 19  9  6)	  0  1 :  1
+   9725.0645	        	        	        	        	       0	( 21  6  1)	  0  1 :  1
+   9766.0693	        	        	        	        	       0	(  7 20  5)	  0  1 :  1
+   9766.0693	        	        	        	        	       0	(  8 19  7)	  0  1 :  1
+   9766.0693	        	        	        	        	       0	( 11 17  8)	  0  1 :  1
+   9766.0693	        	        	        	        	       0	( 13 16  7)	  0  1 :  1
+   9766.0693	        	        	        	        	       0	( 13 17  4)	  0  1 :  1
+   9766.0693	        	        	        	        	       0	( 16 13  7)	  0  1 :  1
+   9766.0693	        	        	        	        	       0	( 17 11  8)	  0  1 :  1
+   9766.0693	        	        	        	        	       0	( 17 13  4)	  0  1 :  1
+   9766.0693	        	        	        	        	       0	( 19  8  7)	  0  1 :  1
+   9766.0693	        	        	        	        	       0	( 20  7  5)	  0  1 :  1
+   9786.7666	        	        	        	        	       0	( 12 18  2)	  0  1 :  1
+   9786.7666	        	        	        	        	       0	( 18 12  2)	  0  1 :  1
+   9786.7666	        	        	        	        	       0	( 20  6  6)	  0  1 :  1
+   9807.5967	        	        	        	        	       0	(  5 21  2)	  0  1 :  1
+   9807.5967	        	        	        	        	       0	( 10 17  9)	  0  1 :  1
+   9807.5967	        	        	        	        	       0	( 10 19  3)	  0  1 :  1
+   9807.5967	        	        	        	        	       0	( 11 18  5)	  0  1 :  1
+   9807.5967	        	        	        	        	       0	( 14 15  7)	  0  1 :  1
+   9807.5967	        	        	        	        	       0	( 15 14  7)	  0  1 :  1
+   9807.5967	        	        	        	        	       0	( 17 10  9)	  0  1 :  1
+   9807.5967	        	        	        	        	       0	( 18 11  5)	  0  1 :  1
+   9807.5967	        	        	        	        	       0	( 19 10  3)	  0  1 :  1
+   9807.5967	        	        	        	        	       0	( 21  5  2)	  0  1 :  1
    9828.5596	        	        	        	        	       0	(  8 20  2)	  0  1 :  1
    9828.5596	        	        	        	        	       0	( 12 18  0)	  0  1 :  1
    9828.5596	        	        	        	        	       0	( 14 16  4)	  0  1 :  1
@@ -4961,10 +4961,10 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    9849.6582	        	        	        	        	       0	( 15 15  4)	  0  1 :  1
    9849.6582	        	        	        	        	       0	( 21  4  3)	  0  1 :  1
    9849.6582	        	        	        	        	       0	( 21  5  0)	  0  1 :  1
-   9870.8906	        	        	        	        	       0	(  8 20  0)	  0  1 :  1
-   9870.8906	        	        	        	        	       0	( 12 16  8)	  0  1 :  1
-   9870.8906	        	        	        	        	       0	( 16 12  8)	  0  1 :  1
-   9870.8906	        	        	        	        	       0	( 20  8  0)	  0  1 :  1
+   9870.8916	        	        	        	        	       0	(  8 20  0)	  0  1 :  1
+   9870.8916	        	        	        	        	       0	( 12 16  8)	  0  1 :  1
+   9870.8916	        	        	        	        	       0	( 16 12  8)	  0  1 :  1
+   9870.8916	        	        	        	        	       0	( 20  8  0)	  0  1 :  1
    9892.2637	        	        	        	        	       0	( 10 19  1)	  0  1 :  1
    9892.2637	        	        	        	        	       0	( 13 17  2)	  0  1 :  1
    9892.2637	        	        	        	        	       0	( 17 13  2)	  0  1 :  1
@@ -4985,34 +4985,34 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
    9935.4268	        	        	        	        	       0	( 19  9  4)	  0  1 :  1
    9935.4268	        	        	        	        	       0	( 20  7  3)	  0  1 :  1
    9935.4268	        	        	        	        	       0	( 21  4  1)	  0  1 :  1
-   9957.2217	        	        	        	        	       0	( 14 14  8)	  0  1 :  1
-   9957.2217	        	        	        	        	       0	( 14 16  2)	  0  1 :  1
-   9957.2217	        	        	        	        	       0	( 16 10 10)	  0  1 :  1
-   9957.2217	        	        	        	        	       0	( 16 14  2)	  0  1 :  1
-   9979.1602	        	        	        	        	       0	(  3 21  2)	  0  1 :  1
-   9979.1602	        	        	        	        	       0	(  9 18  7)	  0  1 :  1
-   9979.1602	        	        	        	        	       0	( 11 18  3)	  0  1 :  1
-   9979.1602	        	        	        	        	       0	( 15 15  2)	  0  1 :  1
-   9979.1602	        	        	        	        	       0	( 18  9  7)	  0  1 :  1
-   9979.1602	        	        	        	        	       0	( 18 11  3)	  0  1 :  1
-   9979.1602	        	        	        	        	       0	( 21  3  2)	  0  1 :  1
+   9957.2207	        	        	        	        	       0	( 14 14  8)	  0  1 :  1
+   9957.2207	        	        	        	        	       0	( 14 16  2)	  0  1 :  1
+   9957.2207	        	        	        	        	       0	( 16 10 10)	  0  1 :  1
+   9957.2207	        	        	        	        	       0	( 16 14  2)	  0  1 :  1
+   9979.1592	        	        	        	        	       0	(  3 21  2)	  0  1 :  1
+   9979.1592	        	        	        	        	       0	(  9 18  7)	  0  1 :  1
+   9979.1592	        	        	        	        	       0	( 11 18  3)	  0  1 :  1
+   9979.1592	        	        	        	        	       0	( 15 15  2)	  0  1 :  1
+   9979.1592	        	        	        	        	       0	( 18  9  7)	  0  1 :  1
+   9979.1592	        	        	        	        	       0	( 18 11  3)	  0  1 :  1
+   9979.1592	        	        	        	        	       0	( 21  3  2)	  0  1 :  1
   10001.2422	        	        	        	        	       0	(  6 20  4)	  0  1 :  1
   10001.2422	        	        	        	        	       0	( 14 16  0)	  0  1 :  1
   10001.2422	        	        	        	        	       0	( 16 14  0)	  0  1 :  1
   10001.2422	        	        	        	        	       0	( 18  8  8)	  0  1 :  1
   10001.2422	        	        	        	        	       0	( 20  6  4)	  0  1 :  1
-  10023.4727	        	        	        	        	       0	(  3 21  0)	  0  1 :  1
-  10023.4727	        	        	        	        	       0	(  7 20  1)	  0  1 :  1
-  10023.4727	        	        	        	        	       0	(  8 19  5)	  0  1 :  1
-  10023.4727	        	        	        	        	       0	( 12 15  9)	  0  1 :  1
-  10023.4727	        	        	        	        	       0	( 13 16  5)	  0  1 :  1
-  10023.4727	        	        	        	        	       0	( 15 12  9)	  0  1 :  1
-  10023.4727	        	        	        	        	       0	( 15 15  0)	  0  1 :  1
-  10023.4727	        	        	        	        	       0	( 16 13  5)	  0  1 :  1
-  10023.4727	        	        	        	        	       0	( 19  8  5)	  0  1 :  1
-  10023.4727	        	        	        	        	       0	( 20  5  5)	  0  1 :  1
-  10023.4727	        	        	        	        	       0	( 20  7  1)	  0  1 :  1
-  10023.4727	        	        	        	        	       0	( 21  3  0)	  0  1 :  1
+  10023.4746	        	        	        	        	       0	(  3 21  0)	  0  1 :  1
+  10023.4746	        	        	        	        	       0	(  7 20  1)	  0  1 :  1
+  10023.4746	        	        	        	        	       0	(  8 19  5)	  0  1 :  1
+  10023.4746	        	        	        	        	       0	( 12 15  9)	  0  1 :  1
+  10023.4746	        	        	        	        	       0	( 13 16  5)	  0  1 :  1
+  10023.4746	        	        	        	        	       0	( 15 12  9)	  0  1 :  1
+  10023.4746	        	        	        	        	       0	( 15 15  0)	  0  1 :  1
+  10023.4746	        	        	        	        	       0	( 16 13  5)	  0  1 :  1
+  10023.4746	        	        	        	        	       0	( 19  8  5)	  0  1 :  1
+  10023.4746	        	        	        	        	       0	( 20  5  5)	  0  1 :  1
+  10023.4746	        	        	        	        	       0	( 20  7  1)	  0  1 :  1
+  10023.4746	        	        	        	        	       0	( 21  3  0)	  0  1 :  1
   10068.3828	        	        	        	        	       0	(  2 21  1)	  0  1 :  1
   10068.3828	        	        	        	        	       0	(  7 19  6)	  0  1 :  1
   10068.3828	        	        	        	        	       0	(  9 19  2)	  0  1 :  1
@@ -5029,18 +5029,18 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   10068.3828	        	        	        	        	       0	( 19  7  6)	  0  1 :  1
   10068.3828	        	        	        	        	       0	( 19  9  2)	  0  1 :  1
   10068.3828	        	        	        	        	       0	( 21  2  1)	  0  1 :  1
-  10113.9004	        	        	        	        	       0	(  1 21  0)	  0  1 :  1
-  10113.9004	        	        	        	        	       0	(  9 19  0)	  0  1 :  1
-  10113.9004	        	        	        	        	       0	( 12 17  3)	  0  1 :  1
-  10113.9004	        	        	        	        	       0	( 17 12  3)	  0  1 :  1
-  10113.9004	        	        	        	        	       0	( 19  9  0)	  0  1 :  1
-  10113.9004	        	        	        	        	       0	( 21  1  0)	  0  1 :  1
-  10136.8896	        	        	        	        	       0	(  6 20  2)	  0  1 :  1
-  10136.8896	        	        	        	        	       0	( 10 18  4)	  0  1 :  1
-  10136.8896	        	        	        	        	       0	( 12 14 10)	  0  1 :  1
-  10136.8896	        	        	        	        	       0	( 14 12 10)	  0  1 :  1
-  10136.8896	        	        	        	        	       0	( 18 10  4)	  0  1 :  1
-  10136.8896	        	        	        	        	       0	( 20  6  2)	  0  1 :  1
+  10113.8984	        	        	        	        	       0	(  1 21  0)	  0  1 :  1
+  10113.8984	        	        	        	        	       0	(  9 19  0)	  0  1 :  1
+  10113.8984	        	        	        	        	       0	( 12 17  3)	  0  1 :  1
+  10113.8984	        	        	        	        	       0	( 17 12  3)	  0  1 :  1
+  10113.8984	        	        	        	        	       0	( 19  9  0)	  0  1 :  1
+  10113.8984	        	        	        	        	       0	( 21  1  0)	  0  1 :  1
+  10136.8906	        	        	        	        	       0	(  6 20  2)	  0  1 :  1
+  10136.8906	        	        	        	        	       0	( 10 18  4)	  0  1 :  1
+  10136.8906	        	        	        	        	       0	( 12 14 10)	  0  1 :  1
+  10136.8906	        	        	        	        	       0	( 14 12 10)	  0  1 :  1
+  10136.8906	        	        	        	        	       0	( 18 10  4)	  0  1 :  1
+  10136.8906	        	        	        	        	       0	( 20  6  2)	  0  1 :  1
   10160.0391	        	        	        	        	       0	( 10 17  7)	  0  1 :  1
   10160.0391	        	        	        	        	       0	( 13 13 10)	  0  1 :  1
   10160.0391	        	        	        	        	       0	( 14 11 11)	  0  1 :  1
@@ -5061,33 +5061,33 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   10206.8145	        	        	        	        	       0	( 17 12  1)	  0  1 :  1
   10206.8145	        	        	        	        	       0	( 19  8  3)	  0  1 :  1
   10206.8145	        	        	        	        	       0	( 20  5  3)	  0  1 :  1
-  10230.4453	        	        	        	        	       0	( 12 12 12)	  0  1 :  1
-  10230.4453	        	        	        	        	       0	( 20  4  4)	  0  1 :  1
-  10254.2422	        	        	        	        	       0	(  9 18  5)	  0  1 :  1
-  10254.2422	        	        	        	        	       0	( 13 15  6)	  0  1 :  1
-  10254.2422	        	        	        	        	       0	( 14 15  3)	  0  1 :  1
-  10254.2422	        	        	        	        	       0	( 15 13  6)	  0  1 :  1
-  10254.2422	        	        	        	        	       0	( 15 14  3)	  0  1 :  1
-  10254.2422	        	        	        	        	       0	( 18  9  5)	  0  1 :  1
+  10230.4463	        	        	        	        	       0	( 12 12 12)	  0  1 :  1
+  10230.4463	        	        	        	        	       0	( 20  4  4)	  0  1 :  1
+  10254.2412	        	        	        	        	       0	(  9 18  5)	  0  1 :  1
+  10254.2412	        	        	        	        	       0	( 13 15  6)	  0  1 :  1
+  10254.2412	        	        	        	        	       0	( 14 15  3)	  0  1 :  1
+  10254.2412	        	        	        	        	       0	( 15 13  6)	  0  1 :  1
+  10254.2412	        	        	        	        	       0	( 15 14  3)	  0  1 :  1
+  10254.2412	        	        	        	        	       0	( 18  9  5)	  0  1 :  1
   10278.2031	        	        	        	        	       0	( 10 18  2)	  0  1 :  1
   10278.2031	        	        	        	        	       0	( 14 14  6)	  0  1 :  1
   10278.2031	        	        	        	        	       0	( 18 10  2)	  0  1 :  1
-  10302.3359	        	        	        	        	       0	(  5 20  1)	  0  1 :  1
-  10302.3359	        	        	        	        	       0	(  7 19  4)	  0  1 :  1
-  10302.3359	        	        	        	        	       0	(  8 19  1)	  0  1 :  1
-  10302.3359	        	        	        	        	       0	( 11 16  7)	  0  1 :  1
-  10302.3359	        	        	        	        	       0	( 11 17  4)	  0  1 :  1
-  10302.3359	        	        	        	        	       0	( 13 16  1)	  0  1 :  1
-  10302.3359	        	        	        	        	       0	( 16 11  7)	  0  1 :  1
-  10302.3359	        	        	        	        	       0	( 16 13  1)	  0  1 :  1
-  10302.3359	        	        	        	        	       0	( 17 11  4)	  0  1 :  1
-  10302.3359	        	        	        	        	       0	( 19  7  4)	  0  1 :  1
-  10302.3359	        	        	        	        	       0	( 19  8  1)	  0  1 :  1
-  10302.3359	        	        	        	        	       0	( 20  5  1)	  0  1 :  1
-  10326.6348	        	        	        	        	       0	(  8 18  6)	  0  1 :  1
-  10326.6348	        	        	        	        	       0	( 10 18  0)	  0  1 :  1
-  10326.6348	        	        	        	        	       0	( 18  8  6)	  0  1 :  1
-  10326.6348	        	        	        	        	       0	( 18 10  0)	  0  1 :  1
+  10302.3340	        	        	        	        	       0	(  5 20  1)	  0  1 :  1
+  10302.3340	        	        	        	        	       0	(  7 19  4)	  0  1 :  1
+  10302.3340	        	        	        	        	       0	(  8 19  1)	  0  1 :  1
+  10302.3340	        	        	        	        	       0	( 11 16  7)	  0  1 :  1
+  10302.3340	        	        	        	        	       0	( 11 17  4)	  0  1 :  1
+  10302.3340	        	        	        	        	       0	( 13 16  1)	  0  1 :  1
+  10302.3340	        	        	        	        	       0	( 16 11  7)	  0  1 :  1
+  10302.3340	        	        	        	        	       0	( 16 13  1)	  0  1 :  1
+  10302.3340	        	        	        	        	       0	( 17 11  4)	  0  1 :  1
+  10302.3340	        	        	        	        	       0	( 19  7  4)	  0  1 :  1
+  10302.3340	        	        	        	        	       0	( 19  8  1)	  0  1 :  1
+  10302.3340	        	        	        	        	       0	( 20  5  1)	  0  1 :  1
+  10326.6357	        	        	        	        	       0	(  8 18  6)	  0  1 :  1
+  10326.6357	        	        	        	        	       0	( 10 18  0)	  0  1 :  1
+  10326.6357	        	        	        	        	       0	( 18  8  6)	  0  1 :  1
+  10326.6357	        	        	        	        	       0	( 18 10  0)	  0  1 :  1
   10351.1104	        	        	        	        	       0	(  6 19  5)	  0  1 :  1
   10351.1104	        	        	        	        	       0	( 14 15  1)	  0  1 :  1
   10351.1104	        	        	        	        	       0	( 15 14  1)	  0  1 :  1
@@ -5097,10 +5097,10 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   10375.7588	        	        	        	        	       0	( 10 16  8)	  0  1 :  1
   10375.7588	        	        	        	        	       0	( 16 10  8)	  0  1 :  1
   10375.7588	        	        	        	        	       0	( 20  4  2)	  0  1 :  1
-  10400.5830	        	        	        	        	       0	( 12 15  7)	  0  1 :  1
-  10400.5830	        	        	        	        	       0	( 15 12  7)	  0  1 :  1
-  10400.5830	        	        	        	        	       0	( 16  9  9)	  0  1 :  1
-  10400.5830	        	        	        	        	       0	( 20  3  3)	  0  1 :  1
+  10400.5840	        	        	        	        	       0	( 12 15  7)	  0  1 :  1
+  10400.5840	        	        	        	        	       0	( 15 12  7)	  0  1 :  1
+  10400.5840	        	        	        	        	       0	( 16  9  9)	  0  1 :  1
+  10400.5840	        	        	        	        	       0	( 20  3  3)	  0  1 :  1
   10425.5879	        	        	        	        	       0	(  4 20  0)	  0  1 :  1
   10425.5879	        	        	        	        	       0	( 12 16  4)	  0  1 :  1
   10425.5879	        	        	        	        	       0	( 16 12  4)	  0  1 :  1
@@ -5127,84 +5127,84 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   10501.6953	        	        	        	        	       0	( 20  3  1)	  0  1 :  1
   10527.4355	        	        	        	        	       0	( 14 14  4)	  0  1 :  1
   10527.4355	        	        	        	        	       0	( 20  2  2)	  0  1 :  1
-  10553.3672	        	        	        	        	       0	(  6 19  3)	  0  1 :  1
-  10553.3672	        	        	        	        	       0	(  9 17  6)	  0  1 :  1
-  10553.3672	        	        	        	        	       0	(  9 18  1)	  0  1 :  1
-  10553.3672	        	        	        	        	       0	( 10 15  9)	  0  1 :  1
-  10553.3672	        	        	        	        	       0	( 15 10  9)	  0  1 :  1
-  10553.3672	        	        	        	        	       0	( 17  9  6)	  0  1 :  1
-  10553.3672	        	        	        	        	       0	( 18  9  1)	  0  1 :  1
-  10553.3672	        	        	        	        	       0	( 19  6  3)	  0  1 :  1
-  10579.4922	        	        	        	        	       0	(  2 20  0)	  0  1 :  1
-  10579.4922	        	        	        	        	       0	(  8 18  4)	  0  1 :  1
-  10579.4922	        	        	        	        	       0	( 12 14  8)	  0  1 :  1
-  10579.4922	        	        	        	        	       0	( 12 16  2)	  0  1 :  1
-  10579.4922	        	        	        	        	       0	( 14 12  8)	  0  1 :  1
-  10579.4922	        	        	        	        	       0	( 16 12  2)	  0  1 :  1
-  10579.4922	        	        	        	        	       0	( 18  8  4)	  0  1 :  1
-  10579.4922	        	        	        	        	       0	( 20  2  0)	  0  1 :  1
-  10605.8086	        	        	        	        	       0	(  5 19  4)	  0  1 :  1
-  10605.8086	        	        	        	        	       0	(  8 17  7)	  0  1 :  1
-  10605.8086	        	        	        	        	       0	( 11 16  5)	  0  1 :  1
-  10605.8086	        	        	        	        	       0	( 13 13  8)	  0  1 :  1
-  10605.8086	        	        	        	        	       0	( 16 11  5)	  0  1 :  1
-  10605.8086	        	        	        	        	       0	( 17  8  7)	  0  1 :  1
-  10605.8086	        	        	        	        	       0	( 19  5  4)	  0  1 :  1
-  10605.8086	        	        	        	        	       0	( 20  1  1)	  0  1 :  1
+  10553.3682	        	        	        	        	       0	(  6 19  3)	  0  1 :  1
+  10553.3682	        	        	        	        	       0	(  9 17  6)	  0  1 :  1
+  10553.3682	        	        	        	        	       0	(  9 18  1)	  0  1 :  1
+  10553.3682	        	        	        	        	       0	( 10 15  9)	  0  1 :  1
+  10553.3682	        	        	        	        	       0	( 15 10  9)	  0  1 :  1
+  10553.3682	        	        	        	        	       0	( 17  9  6)	  0  1 :  1
+  10553.3682	        	        	        	        	       0	( 18  9  1)	  0  1 :  1
+  10553.3682	        	        	        	        	       0	( 19  6  3)	  0  1 :  1
+  10579.4902	        	        	        	        	       0	(  2 20  0)	  0  1 :  1
+  10579.4902	        	        	        	        	       0	(  8 18  4)	  0  1 :  1
+  10579.4902	        	        	        	        	       0	( 12 14  8)	  0  1 :  1
+  10579.4902	        	        	        	        	       0	( 12 16  2)	  0  1 :  1
+  10579.4902	        	        	        	        	       0	( 14 12  8)	  0  1 :  1
+  10579.4902	        	        	        	        	       0	( 16 12  2)	  0  1 :  1
+  10579.4902	        	        	        	        	       0	( 18  8  4)	  0  1 :  1
+  10579.4902	        	        	        	        	       0	( 20  2  0)	  0  1 :  1
+  10605.8096	        	        	        	        	       0	(  5 19  4)	  0  1 :  1
+  10605.8096	        	        	        	        	       0	(  8 17  7)	  0  1 :  1
+  10605.8096	        	        	        	        	       0	( 11 16  5)	  0  1 :  1
+  10605.8096	        	        	        	        	       0	( 13 13  8)	  0  1 :  1
+  10605.8096	        	        	        	        	       0	( 16 11  5)	  0  1 :  1
+  10605.8096	        	        	        	        	       0	( 17  8  7)	  0  1 :  1
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+  10605.8096	        	        	        	        	       0	( 20  1  1)	  0  1 :  1
   10632.3242	        	        	        	        	       0	( 12 16  0)	  0  1 :  1
   10632.3242	        	        	        	        	       0	( 16 12  0)	  0  1 :  1
   10632.3242	        	        	        	        	       0	( 20  0  0)	  0  1 :  1
-  10659.0381	        	        	        	        	       0	(  6 19  1)	  0  1 :  1
-  10659.0381	        	        	        	        	       0	(  7 18  5)	  0  1 :  1
-  10659.0381	        	        	        	        	       0	( 10 17  3)	  0  1 :  1
-  10659.0381	        	        	        	        	       0	( 11 14  9)	  0  1 :  1
-  10659.0381	        	        	        	        	       0	( 13 15  2)	  0  1 :  1
-  10659.0381	        	        	        	        	       0	( 14 11  9)	  0  1 :  1
-  10659.0381	        	        	        	        	       0	( 15 13  2)	  0  1 :  1
-  10659.0381	        	        	        	        	       0	( 17 10  3)	  0  1 :  1
-  10659.0381	        	        	        	        	       0	( 18  7  5)	  0  1 :  1
-  10659.0381	        	        	        	        	       0	( 19  6  1)	  0  1 :  1
+  10659.0391	        	        	        	        	       0	(  6 19  1)	  0  1 :  1
+  10659.0391	        	        	        	        	       0	(  7 18  5)	  0  1 :  1
+  10659.0391	        	        	        	        	       0	( 10 17  3)	  0  1 :  1
+  10659.0391	        	        	        	        	       0	( 11 14  9)	  0  1 :  1
+  10659.0391	        	        	        	        	       0	( 13 15  2)	  0  1 :  1
+  10659.0391	        	        	        	        	       0	( 14 11  9)	  0  1 :  1
+  10659.0391	        	        	        	        	       0	( 15 13  2)	  0  1 :  1
+  10659.0391	        	        	        	        	       0	( 17 10  3)	  0  1 :  1
+  10659.0391	        	        	        	        	       0	( 18  7  5)	  0  1 :  1
+  10659.0391	        	        	        	        	       0	( 19  6  1)	  0  1 :  1
   10685.9570	        	        	        	        	       0	( 14 10 10)	  0  1 :  1
   10685.9570	        	        	        	        	       0	( 14 14  2)	  0  1 :  1
   10685.9570	        	        	        	        	       0	( 18  6  6)	  0  1 :  1
-  10713.0781	        	        	        	        	       0	( 12 13  9)	  0  1 :  1
-  10713.0781	        	        	        	        	       0	( 12 15  5)	  0  1 :  1
-  10713.0781	        	        	        	        	       0	( 13 12  9)	  0  1 :  1
-  10713.0781	        	        	        	        	       0	( 13 15  0)	  0  1 :  1
-  10713.0781	        	        	        	        	       0	( 15 12  5)	  0  1 :  1
-  10713.0781	        	        	        	        	       0	( 15 13  0)	  0  1 :  1
+  10713.0791	        	        	        	        	       0	( 12 13  9)	  0  1 :  1
+  10713.0791	        	        	        	        	       0	( 12 15  5)	  0  1 :  1
+  10713.0791	        	        	        	        	       0	( 13 12  9)	  0  1 :  1
+  10713.0791	        	        	        	        	       0	( 13 15  0)	  0  1 :  1
+  10713.0791	        	        	        	        	       0	( 15 12  5)	  0  1 :  1
+  10713.0791	        	        	        	        	       0	( 15 13  0)	  0  1 :  1
   10740.4072	        	        	        	        	       0	(  8 18  2)	  0  1 :  1
   10740.4072	        	        	        	        	       0	( 10 16  6)	  0  1 :  1
   10740.4072	        	        	        	        	       0	( 14 14  0)	  0  1 :  1
   10740.4072	        	        	        	        	       0	( 16 10  6)	  0  1 :  1
   10740.4072	        	        	        	        	       0	( 18  8  2)	  0  1 :  1
-  10767.9463	        	        	        	        	       0	(  5 19  2)	  0  1 :  1
-  10767.9463	        	        	        	        	       0	( 10 17  1)	  0  1 :  1
-  10767.9463	        	        	        	        	       0	( 11 13 10)	  0  1 :  1
-  10767.9463	        	        	        	        	       0	( 13 11 10)	  0  1 :  1
-  10767.9463	        	        	        	        	       0	( 13 14  5)	  0  1 :  1
-  10767.9463	        	        	        	        	       0	( 14 13  5)	  0  1 :  1
-  10767.9463	        	        	        	        	       0	( 17 10  1)	  0  1 :  1
-  10767.9463	        	        	        	        	       0	( 19  5  2)	  0  1 :  1
+  10767.9473	        	        	        	        	       0	(  5 19  2)	  0  1 :  1
+  10767.9473	        	        	        	        	       0	( 10 17  1)	  0  1 :  1
+  10767.9473	        	        	        	        	       0	( 11 13 10)	  0  1 :  1
+  10767.9473	        	        	        	        	       0	( 13 11 10)	  0  1 :  1
+  10767.9473	        	        	        	        	       0	( 13 14  5)	  0  1 :  1
+  10767.9473	        	        	        	        	       0	( 14 13  5)	  0  1 :  1
+  10767.9473	        	        	        	        	       0	( 17 10  1)	  0  1 :  1
+  10767.9473	        	        	        	        	       0	( 19  5  2)	  0  1 :  1
   10795.6992	        	        	        	        	       0	(  8 18  0)	  0  1 :  1
   10795.6992	        	        	        	        	       0	( 12 12 10)	  0  1 :  1
   10795.6992	        	        	        	        	       0	( 18  8  0)	  0  1 :  1
-  10823.6650	        	        	        	        	       0	(  4 19  3)	  0  1 :  1
-  10823.6650	        	        	        	        	       0	(  5 19  0)	  0  1 :  1
-  10823.6650	        	        	        	        	       0	(  9 16  7)	  0  1 :  1
-  10823.6650	        	        	        	        	       0	(  9 17  4)	  0  1 :  1
-  10823.6650	        	        	        	        	       0	( 11 16  3)	  0  1 :  1
-  10823.6650	        	        	        	        	       0	( 12 11 11)	  0  1 :  1
-  10823.6650	        	        	        	        	       0	( 16  9  7)	  0  1 :  1
-  10823.6650	        	        	        	        	       0	( 16 11  3)	  0  1 :  1
-  10823.6650	        	        	        	        	       0	( 17  9  4)	  0  1 :  1
-  10823.6650	        	        	        	        	       0	( 19  4  3)	  0  1 :  1
-  10823.6650	        	        	        	        	       0	( 19  5  0)	  0  1 :  1
-  10851.8525	        	        	        	        	       0	( 16  8  8)	  0  1 :  1
-  10880.2578	        	        	        	        	       0	(  7 18  3)	  0  1 :  1
-  10880.2578	        	        	        	        	       0	( 11 15  6)	  0  1 :  1
-  10880.2578	        	        	        	        	       0	( 15 11  6)	  0  1 :  1
-  10880.2578	        	        	        	        	       0	( 18  7  3)	  0  1 :  1
+  10823.6660	        	        	        	        	       0	(  4 19  3)	  0  1 :  1
+  10823.6660	        	        	        	        	       0	(  5 19  0)	  0  1 :  1
+  10823.6660	        	        	        	        	       0	(  9 16  7)	  0  1 :  1
+  10823.6660	        	        	        	        	       0	(  9 17  4)	  0  1 :  1
+  10823.6660	        	        	        	        	       0	( 11 16  3)	  0  1 :  1
+  10823.6660	        	        	        	        	       0	( 12 11 11)	  0  1 :  1
+  10823.6660	        	        	        	        	       0	( 16  9  7)	  0  1 :  1
+  10823.6660	        	        	        	        	       0	( 16 11  3)	  0  1 :  1
+  10823.6660	        	        	        	        	       0	( 17  9  4)	  0  1 :  1
+  10823.6660	        	        	        	        	       0	( 19  4  3)	  0  1 :  1
+  10823.6660	        	        	        	        	       0	( 19  5  0)	  0  1 :  1
+  10851.8506	        	        	        	        	       0	( 16  8  8)	  0  1 :  1
+  10880.2588	        	        	        	        	       0	(  7 18  3)	  0  1 :  1
+  10880.2588	        	        	        	        	       0	( 11 15  6)	  0  1 :  1
+  10880.2588	        	        	        	        	       0	( 15 11  6)	  0  1 :  1
+  10880.2588	        	        	        	        	       0	( 18  7  3)	  0  1 :  1
   10937.7451	        	        	        	        	       0	(  4 19  1)	  0  1 :  1
   10937.7451	        	        	        	        	       0	(  8 17  5)	  0  1 :  1
   10937.7451	        	        	        	        	       0	( 11 16  1)	  0  1 :  1
@@ -5213,24 +5213,24 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   10937.7451	        	        	        	        	       0	( 16 11  1)	  0  1 :  1
   10937.7451	        	        	        	        	       0	( 17  8  5)	  0  1 :  1
   10937.7451	        	        	        	        	       0	( 19  4  1)	  0  1 :  1
-  10966.8320	        	        	        	        	       0	(  6 18  4)	  0  1 :  1
-  10966.8320	        	        	        	        	       0	( 12 14  6)	  0  1 :  1
-  10966.8320	        	        	        	        	       0	( 14 12  6)	  0  1 :  1
-  10966.8320	        	        	        	        	       0	( 18  6  4)	  0  1 :  1
-  10996.1523	        	        	        	        	       0	(  3 19  2)	  0  1 :  1
-  10996.1523	        	        	        	        	       0	(  7 17  6)	  0  1 :  1
-  10996.1523	        	        	        	        	       0	(  7 18  1)	  0  1 :  1
-  10996.1523	        	        	        	        	       0	(  9 17  2)	  0  1 :  1
-  10996.1523	        	        	        	        	       0	( 10 15  7)	  0  1 :  1
-  10996.1523	        	        	        	        	       0	( 13 13  6)	  0  1 :  1
-  10996.1523	        	        	        	        	       0	( 13 14  3)	  0  1 :  1
-  10996.1523	        	        	        	        	       0	( 14 13  3)	  0  1 :  1
-  10996.1523	        	        	        	        	       0	( 15 10  7)	  0  1 :  1
-  10996.1523	        	        	        	        	       0	( 17  7  6)	  0  1 :  1
-  10996.1523	        	        	        	        	       0	( 17  9  2)	  0  1 :  1
-  10996.1523	        	        	        	        	       0	( 18  5  5)	  0  1 :  1
-  10996.1523	        	        	        	        	       0	( 18  7  1)	  0  1 :  1
-  10996.1523	        	        	        	        	       0	( 19  3  2)	  0  1 :  1
+  10966.8330	        	        	        	        	       0	(  6 18  4)	  0  1 :  1
+  10966.8330	        	        	        	        	       0	( 12 14  6)	  0  1 :  1
+  10966.8330	        	        	        	        	       0	( 14 12  6)	  0  1 :  1
+  10966.8330	        	        	        	        	       0	( 18  6  4)	  0  1 :  1
+  10996.1533	        	        	        	        	       0	(  3 19  2)	  0  1 :  1
+  10996.1533	        	        	        	        	       0	(  7 17  6)	  0  1 :  1
+  10996.1533	        	        	        	        	       0	(  7 18  1)	  0  1 :  1
+  10996.1533	        	        	        	        	       0	(  9 17  2)	  0  1 :  1
+  10996.1533	        	        	        	        	       0	( 10 15  7)	  0  1 :  1
+  10996.1533	        	        	        	        	       0	( 13 13  6)	  0  1 :  1
+  10996.1533	        	        	        	        	       0	( 13 14  3)	  0  1 :  1
+  10996.1533	        	        	        	        	       0	( 14 13  3)	  0  1 :  1
+  10996.1533	        	        	        	        	       0	( 15 10  7)	  0  1 :  1
+  10996.1533	        	        	        	        	       0	( 17  7  6)	  0  1 :  1
+  10996.1533	        	        	        	        	       0	( 17  9  2)	  0  1 :  1
+  10996.1533	        	        	        	        	       0	( 18  5  5)	  0  1 :  1
+  10996.1533	        	        	        	        	       0	( 18  7  1)	  0  1 :  1
+  10996.1533	        	        	        	        	       0	( 19  3  2)	  0  1 :  1
   11025.7090	        	        	        	        	       0	( 10 16  4)	  0  1 :  1
   11025.7090	        	        	        	        	       0	( 16 10  4)	  0  1 :  1
   11055.5049	        	        	        	        	       0	(  3 19  0)	  0  1 :  1
@@ -5249,75 +5249,75 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   11115.8271	        	        	        	        	       0	( 19  2  1)	  0  1 :  1
   11146.3604	        	        	        	        	       0	(  6 18  2)	  0  1 :  1
   11146.3604	        	        	        	        	       0	( 18  6  2)	  0  1 :  1
-  11177.1465	        	        	        	        	       0	(  1 19  0)	  0  1 :  1
-  11177.1465	        	        	        	        	       0	(  8 17  3)	  0  1 :  1
-  11177.1465	        	        	        	        	       0	(  9 16  5)	  0  1 :  1
-  11177.1465	        	        	        	        	       0	( 11 15  4)	  0  1 :  1
-  11177.1465	        	        	        	        	       0	( 12 13  7)	  0  1 :  1
-  11177.1465	        	        	        	        	       0	( 13 12  7)	  0  1 :  1
-  11177.1465	        	        	        	        	       0	( 15 11  4)	  0  1 :  1
-  11177.1465	        	        	        	        	       0	( 16  9  5)	  0  1 :  1
-  11177.1465	        	        	        	        	       0	( 17  8  3)	  0  1 :  1
-  11177.1465	        	        	        	        	       0	( 19  1  0)	  0  1 :  1
-  11208.1885	        	        	        	        	       0	(  6 18  0)	  0  1 :  1
-  11208.1885	        	        	        	        	       0	( 10 14  8)	  0  1 :  1
-  11208.1885	        	        	        	        	       0	( 10 16  2)	  0  1 :  1
-  11208.1885	        	        	        	        	       0	( 14 10  8)	  0  1 :  1
-  11208.1885	        	        	        	        	       0	( 16 10  2)	  0  1 :  1
-  11208.1885	        	        	        	        	       0	( 18  6  0)	  0  1 :  1
+  11177.1475	        	        	        	        	       0	(  1 19  0)	  0  1 :  1
+  11177.1475	        	        	        	        	       0	(  8 17  3)	  0  1 :  1
+  11177.1475	        	        	        	        	       0	(  9 16  5)	  0  1 :  1
+  11177.1475	        	        	        	        	       0	( 11 15  4)	  0  1 :  1
+  11177.1475	        	        	        	        	       0	( 12 13  7)	  0  1 :  1
+  11177.1475	        	        	        	        	       0	( 13 12  7)	  0  1 :  1
+  11177.1475	        	        	        	        	       0	( 15 11  4)	  0  1 :  1
+  11177.1475	        	        	        	        	       0	( 16  9  5)	  0  1 :  1
+  11177.1475	        	        	        	        	       0	( 17  8  3)	  0  1 :  1
+  11177.1475	        	        	        	        	       0	( 19  1  0)	  0  1 :  1
+  11208.1895	        	        	        	        	       0	(  6 18  0)	  0  1 :  1
+  11208.1895	        	        	        	        	       0	( 10 14  8)	  0  1 :  1
+  11208.1895	        	        	        	        	       0	( 10 16  2)	  0  1 :  1
+  11208.1895	        	        	        	        	       0	( 14 10  8)	  0  1 :  1
+  11208.1895	        	        	        	        	       0	( 16 10  2)	  0  1 :  1
+  11208.1895	        	        	        	        	       0	( 18  6  0)	  0  1 :  1
   11239.4902	        	        	        	        	       0	(  5 18  3)	  0  1 :  1
   11239.4902	        	        	        	        	       0	( 14  9  9)	  0  1 :  1
   11239.4902	        	        	        	        	       0	( 18  5  3)	  0  1 :  1
-  11271.0576	        	        	        	        	       0	(  8 16  6)	  0  1 :  1
-  11271.0576	        	        	        	        	       0	( 10 16  0)	  0  1 :  1
-  11271.0576	        	        	        	        	       0	( 12 14  4)	  0  1 :  1
-  11271.0576	        	        	        	        	       0	( 14 12  4)	  0  1 :  1
-  11271.0576	        	        	        	        	       0	( 16  8  6)	  0  1 :  1
-  11271.0576	        	        	        	        	       0	( 16 10  0)	  0  1 :  1
-  11271.0576	        	        	        	        	       0	( 18  4  4)	  0  1 :  1
-  11302.8887	        	        	        	        	       0	(  7 17  4)	  0  1 :  1
-  11302.8887	        	        	        	        	       0	(  8 17  1)	  0  1 :  1
-  11302.8887	        	        	        	        	       0	( 11 13  8)	  0  1 :  1
-  11302.8887	        	        	        	        	       0	( 13 11  8)	  0  1 :  1
-  11302.8887	        	        	        	        	       0	( 13 13  4)	  0  1 :  1
-  11302.8887	        	        	        	        	       0	( 16  7  7)	  0  1 :  1
-  11302.8887	        	        	        	        	       0	( 17  7  4)	  0  1 :  1
-  11302.8887	        	        	        	        	       0	( 17  8  1)	  0  1 :  1
-  11334.9922	        	        	        	        	       0	( 12 12  8)	  0  1 :  1
-  11367.3701	        	        	        	        	       0	(  5 18  1)	  0  1 :  1
-  11367.3701	        	        	        	        	       0	(  6 17  5)	  0  1 :  1
-  11367.3701	        	        	        	        	       0	( 10 13  9)	  0  1 :  1
-  11367.3701	        	        	        	        	       0	( 10 15  5)	  0  1 :  1
-  11367.3701	        	        	        	        	       0	( 11 15  2)	  0  1 :  1
-  11367.3701	        	        	        	        	       0	( 13 10  9)	  0  1 :  1
-  11367.3701	        	        	        	        	       0	( 15 10  5)	  0  1 :  1
-  11367.3701	        	        	        	        	       0	( 15 11  2)	  0  1 :  1
-  11367.3701	        	        	        	        	       0	( 17  6  5)	  0  1 :  1
-  11367.3701	        	        	        	        	       0	( 18  5  1)	  0  1 :  1
+  11271.0557	        	        	        	        	       0	(  8 16  6)	  0  1 :  1
+  11271.0557	        	        	        	        	       0	( 10 16  0)	  0  1 :  1
+  11271.0557	        	        	        	        	       0	( 12 14  4)	  0  1 :  1
+  11271.0557	        	        	        	        	       0	( 14 12  4)	  0  1 :  1
+  11271.0557	        	        	        	        	       0	( 16  8  6)	  0  1 :  1
+  11271.0557	        	        	        	        	       0	( 16 10  0)	  0  1 :  1
+  11271.0557	        	        	        	        	       0	( 18  4  4)	  0  1 :  1
+  11302.8877	        	        	        	        	       0	(  7 17  4)	  0  1 :  1
+  11302.8877	        	        	        	        	       0	(  8 17  1)	  0  1 :  1
+  11302.8877	        	        	        	        	       0	( 11 13  8)	  0  1 :  1
+  11302.8877	        	        	        	        	       0	( 13 11  8)	  0  1 :  1
+  11302.8877	        	        	        	        	       0	( 13 13  4)	  0  1 :  1
+  11302.8877	        	        	        	        	       0	( 16  7  7)	  0  1 :  1
+  11302.8877	        	        	        	        	       0	( 17  7  4)	  0  1 :  1
+  11302.8877	        	        	        	        	       0	( 17  8  1)	  0  1 :  1
+  11334.9932	        	        	        	        	       0	( 12 12  8)	  0  1 :  1
+  11367.3711	        	        	        	        	       0	(  5 18  1)	  0  1 :  1
+  11367.3711	        	        	        	        	       0	(  6 17  5)	  0  1 :  1
+  11367.3711	        	        	        	        	       0	( 10 13  9)	  0  1 :  1
+  11367.3711	        	        	        	        	       0	( 10 15  5)	  0  1 :  1
+  11367.3711	        	        	        	        	       0	( 11 15  2)	  0  1 :  1
+  11367.3711	        	        	        	        	       0	( 13 10  9)	  0  1 :  1
+  11367.3711	        	        	        	        	       0	( 15 10  5)	  0  1 :  1
+  11367.3711	        	        	        	        	       0	( 15 11  2)	  0  1 :  1
+  11367.3711	        	        	        	        	       0	( 17  6  5)	  0  1 :  1
+  11367.3711	        	        	        	        	       0	( 18  5  1)	  0  1 :  1
   11432.9668	        	        	        	        	       0	(  9 16  3)	  0  1 :  1
   11432.9668	        	        	        	        	       0	( 11 12  9)	  0  1 :  1
   11432.9668	        	        	        	        	       0	( 11 15  0)	  0  1 :  1
   11432.9668	        	        	        	        	       0	( 12 11  9)	  0  1 :  1
   11432.9668	        	        	        	        	       0	( 15 11  0)	  0  1 :  1
   11432.9668	        	        	        	        	       0	( 16  9  3)	  0  1 :  1
-  11466.1934	        	        	        	        	       0	(  4 18  2)	  0  1 :  1
-  11466.1934	        	        	        	        	       0	( 12 10 10)	  0  1 :  1
-  11466.1934	        	        	        	        	       0	( 12 14  2)	  0  1 :  1
-  11466.1934	        	        	        	        	       0	( 14 12  2)	  0  1 :  1
-  11466.1934	        	        	        	        	       0	( 18  4  2)	  0  1 :  1
-  11499.7109	        	        	        	        	       0	(  7 17  2)	  0  1 :  1
-  11499.7109	        	        	        	        	       0	(  9 15  6)	  0  1 :  1
-  11499.7109	        	        	        	        	       0	( 11 11 10)	  0  1 :  1
-  11499.7109	        	        	        	        	       0	( 11 14  5)	  0  1 :  1
-  11499.7109	        	        	        	        	       0	( 13 13  2)	  0  1 :  1
-  11499.7109	        	        	        	        	       0	( 14 11  5)	  0  1 :  1
-  11499.7109	        	        	        	        	       0	( 15  9  6)	  0  1 :  1
-  11499.7109	        	        	        	        	       0	( 17  7  2)	  0  1 :  1
-  11499.7109	        	        	        	        	       0	( 18  3  3)	  0  1 :  1
-  11533.5234	        	        	        	        	       0	(  4 18  0)	  0  1 :  1
-  11533.5234	        	        	        	        	       0	( 12 14  0)	  0  1 :  1
-  11533.5234	        	        	        	        	       0	( 14 12  0)	  0  1 :  1
-  11533.5234	        	        	        	        	       0	( 18  4  0)	  0  1 :  1
+  11466.1943	        	        	        	        	       0	(  4 18  2)	  0  1 :  1
+  11466.1943	        	        	        	        	       0	( 12 10 10)	  0  1 :  1
+  11466.1943	        	        	        	        	       0	( 12 14  2)	  0  1 :  1
+  11466.1943	        	        	        	        	       0	( 14 12  2)	  0  1 :  1
+  11466.1943	        	        	        	        	       0	( 18  4  2)	  0  1 :  1
+  11499.7119	        	        	        	        	       0	(  7 17  2)	  0  1 :  1
+  11499.7119	        	        	        	        	       0	(  9 15  6)	  0  1 :  1
+  11499.7119	        	        	        	        	       0	( 11 11 10)	  0  1 :  1
+  11499.7119	        	        	        	        	       0	( 11 14  5)	  0  1 :  1
+  11499.7119	        	        	        	        	       0	( 13 13  2)	  0  1 :  1
+  11499.7119	        	        	        	        	       0	( 14 11  5)	  0  1 :  1
+  11499.7119	        	        	        	        	       0	( 15  9  6)	  0  1 :  1
+  11499.7119	        	        	        	        	       0	( 17  7  2)	  0  1 :  1
+  11499.7119	        	        	        	        	       0	( 18  3  3)	  0  1 :  1
+  11533.5244	        	        	        	        	       0	(  4 18  0)	  0  1 :  1
+  11533.5244	        	        	        	        	       0	( 12 14  0)	  0  1 :  1
+  11533.5244	        	        	        	        	       0	( 14 12  0)	  0  1 :  1
+  11533.5244	        	        	        	        	       0	( 18  4  0)	  0  1 :  1
   11567.6367	        	        	        	        	       0	(  7 17  0)	  0  1 :  1
   11567.6367	        	        	        	        	       0	(  8 15  7)	  0  1 :  1
   11567.6367	        	        	        	        	       0	(  9 16  1)	  0  1 :  1
@@ -5329,19 +5329,19 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   11567.6367	        	        	        	        	       0	( 17  7  0)	  0  1 :  1
   11602.0537	        	        	        	        	       0	(  8 16  4)	  0  1 :  1
   11602.0537	        	        	        	        	       0	( 16  8  4)	  0  1 :  1
-  11636.7793	        	        	        	        	       0	(  3 18  1)	  0  1 :  1
-  11636.7793	        	        	        	        	       0	(  6 17  3)	  0  1 :  1
-  11636.7793	        	        	        	        	       0	( 10 15  3)	  0  1 :  1
-  11636.7793	        	        	        	        	       0	( 15 10  3)	  0  1 :  1
-  11636.7793	        	        	        	        	       0	( 17  6  3)	  0  1 :  1
-  11636.7793	        	        	        	        	       0	( 18  3  1)	  0  1 :  1
-  11671.8174	        	        	        	        	       0	( 10 14  6)	  0  1 :  1
-  11671.8174	        	        	        	        	       0	( 14 10  6)	  0  1 :  1
-  11671.8174	        	        	        	        	       0	( 18  2  2)	  0  1 :  1
-  11707.1738	        	        	        	        	       0	(  5 17  4)	  0  1 :  1
-  11707.1738	        	        	        	        	       0	(  7 16  5)	  0  1 :  1
-  11707.1738	        	        	        	        	       0	( 16  7  5)	  0  1 :  1
-  11707.1738	        	        	        	        	       0	( 17  5  4)	  0  1 :  1
+  11636.7803	        	        	        	        	       0	(  3 18  1)	  0  1 :  1
+  11636.7803	        	        	        	        	       0	(  6 17  3)	  0  1 :  1
+  11636.7803	        	        	        	        	       0	( 10 15  3)	  0  1 :  1
+  11636.7803	        	        	        	        	       0	( 15 10  3)	  0  1 :  1
+  11636.7803	        	        	        	        	       0	( 17  6  3)	  0  1 :  1
+  11636.7803	        	        	        	        	       0	( 18  3  1)	  0  1 :  1
+  11671.8184	        	        	        	        	       0	( 10 14  6)	  0  1 :  1
+  11671.8184	        	        	        	        	       0	( 14 10  6)	  0  1 :  1
+  11671.8184	        	        	        	        	       0	( 18  2  2)	  0  1 :  1
+  11707.1729	        	        	        	        	       0	(  5 17  4)	  0  1 :  1
+  11707.1729	        	        	        	        	       0	(  7 16  5)	  0  1 :  1
+  11707.1729	        	        	        	        	       0	( 16  7  5)	  0  1 :  1
+  11707.1729	        	        	        	        	       0	( 17  5  4)	  0  1 :  1
   11742.8535	        	        	        	        	       0	(  2 18  0)	  0  1 :  1
   11742.8535	        	        	        	        	       0	( 16  6  6)	  0  1 :  1
   11742.8535	        	        	        	        	       0	( 18  2  0)	  0  1 :  1
@@ -5356,85 +5356,85 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   11778.8613	        	        	        	        	       0	( 15 10  1)	  0  1 :  1
   11778.8613	        	        	        	        	       0	( 17  6  1)	  0  1 :  1
   11778.8613	        	        	        	        	       0	( 18  1  1)	  0  1 :  1
-  11815.2012	        	        	        	        	       0	(  8 16  2)	  0  1 :  1
-  11815.2012	        	        	        	        	       0	( 12 12  6)	  0  1 :  1
-  11815.2012	        	        	        	        	       0	( 14  8  8)	  0  1 :  1
-  11815.2012	        	        	        	        	       0	( 16  8  2)	  0  1 :  1
-  11815.2012	        	        	        	        	       0	( 18  0  0)	  0  1 :  1
-  11851.8789	        	        	        	        	       0	(  9 15  4)	  0  1 :  1
-  11851.8789	        	        	        	        	       0	( 12 13  3)	  0  1 :  1
-  11851.8789	        	        	        	        	       0	( 13 12  3)	  0  1 :  1
-  11851.8789	        	        	        	        	       0	( 15  9  4)	  0  1 :  1
-  11888.9014	        	        	        	        	       0	(  8 16  0)	  0  1 :  1
-  11888.9014	        	        	        	        	       0	( 16  8  0)	  0  1 :  1
+  11815.2002	        	        	        	        	       0	(  8 16  2)	  0  1 :  1
+  11815.2002	        	        	        	        	       0	( 12 12  6)	  0  1 :  1
+  11815.2002	        	        	        	        	       0	( 14  8  8)	  0  1 :  1
+  11815.2002	        	        	        	        	       0	( 16  8  2)	  0  1 :  1
+  11815.2002	        	        	        	        	       0	( 18  0  0)	  0  1 :  1
+  11851.8799	        	        	        	        	       0	(  9 15  4)	  0  1 :  1
+  11851.8799	        	        	        	        	       0	( 12 13  3)	  0  1 :  1
+  11851.8799	        	        	        	        	       0	( 13 12  3)	  0  1 :  1
+  11851.8799	        	        	        	        	       0	( 15  9  4)	  0  1 :  1
+  11888.9023	        	        	        	        	       0	(  8 16  0)	  0  1 :  1
+  11888.9023	        	        	        	        	       0	( 16  8  0)	  0  1 :  1
   11926.2725	        	        	        	        	       0	(  5 17  2)	  0  1 :  1
   11926.2725	        	        	        	        	       0	( 10 13  7)	  0  1 :  1
   11926.2725	        	        	        	        	       0	( 11 14  1)	  0  1 :  1
   11926.2725	        	        	        	        	       0	( 13 10  7)	  0  1 :  1
   11926.2725	        	        	        	        	       0	( 14 11  1)	  0  1 :  1
   11926.2725	        	        	        	        	       0	( 17  5  2)	  0  1 :  1
-  12002.0811	        	        	        	        	       0	(  4 17  3)	  0  1 :  1
-  12002.0811	        	        	        	        	       0	(  5 17  0)	  0  1 :  1
-  12002.0811	        	        	        	        	       0	(  7 16  3)	  0  1 :  1
-  12002.0811	        	        	        	        	       0	(  8 15  5)	  0  1 :  1
-  12002.0811	        	        	        	        	       0	(  9 13  8)	  0  1 :  1
-  12002.0811	        	        	        	        	       0	( 11 12  7)	  0  1 :  1
-  12002.0811	        	        	        	        	       0	( 12 11  7)	  0  1 :  1
-  12002.0811	        	        	        	        	       0	( 12 13  1)	  0  1 :  1
-  12002.0811	        	        	        	        	       0	( 13  9  8)	  0  1 :  1
-  12002.0811	        	        	        	        	       0	( 13 12  1)	  0  1 :  1
-  12002.0811	        	        	        	        	       0	( 15  8  5)	  0  1 :  1
-  12002.0811	        	        	        	        	       0	( 16  7  3)	  0  1 :  1
-  12002.0811	        	        	        	        	       0	( 17  4  3)	  0  1 :  1
-  12002.0811	        	        	        	        	       0	( 17  5  0)	  0  1 :  1
+  12002.0791	        	        	        	        	       0	(  4 17  3)	  0  1 :  1
+  12002.0791	        	        	        	        	       0	(  5 17  0)	  0  1 :  1
+  12002.0791	        	        	        	        	       0	(  7 16  3)	  0  1 :  1
+  12002.0791	        	        	        	        	       0	(  8 15  5)	  0  1 :  1
+  12002.0791	        	        	        	        	       0	(  9 13  8)	  0  1 :  1
+  12002.0791	        	        	        	        	       0	( 11 12  7)	  0  1 :  1
+  12002.0791	        	        	        	        	       0	( 12 11  7)	  0  1 :  1
+  12002.0791	        	        	        	        	       0	( 12 13  1)	  0  1 :  1
+  12002.0791	        	        	        	        	       0	( 13  9  8)	  0  1 :  1
+  12002.0791	        	        	        	        	       0	( 13 12  1)	  0  1 :  1
+  12002.0791	        	        	        	        	       0	( 15  8  5)	  0  1 :  1
+  12002.0791	        	        	        	        	       0	( 16  7  3)	  0  1 :  1
+  12002.0791	        	        	        	        	       0	( 17  4  3)	  0  1 :  1
+  12002.0791	        	        	        	        	       0	( 17  5  0)	  0  1 :  1
   12040.5303	        	        	        	        	       0	( 10 14  4)	  0  1 :  1
   12040.5303	        	        	        	        	       0	( 14 10  4)	  0  1 :  1
-  12079.3516	        	        	        	        	       0	(  7 15  6)	  0  1 :  1
-  12079.3516	        	        	        	        	       0	(  9 15  2)	  0  1 :  1
-  12079.3516	        	        	        	        	       0	( 15  7  6)	  0  1 :  1
-  12079.3516	        	        	        	        	       0	( 15  9  2)	  0  1 :  1
+  12079.3525	        	        	        	        	       0	(  7 15  6)	  0  1 :  1
+  12079.3525	        	        	        	        	       0	(  9 15  2)	  0  1 :  1
+  12079.3525	        	        	        	        	       0	( 15  7  6)	  0  1 :  1
+  12079.3525	        	        	        	        	       0	( 15  9  2)	  0  1 :  1
   12118.5518	        	        	        	        	       0	(  6 16  4)	  0  1 :  1
   12118.5518	        	        	        	        	       0	( 10 12  8)	  0  1 :  1
   12118.5518	        	        	        	        	       0	( 12 10  8)	  0  1 :  1
   12118.5518	        	        	        	        	       0	( 16  6  4)	  0  1 :  1
-  12158.1328	        	        	        	        	       0	(  4 17  1)	  0  1 :  1
-  12158.1328	        	        	        	        	       0	(  7 16  1)	  0  1 :  1
-  12158.1328	        	        	        	        	       0	(  9 15  0)	  0  1 :  1
-  12158.1328	        	        	        	        	       0	( 11 11  8)	  0  1 :  1
-  12158.1328	        	        	        	        	       0	( 11 13  4)	  0  1 :  1
-  12158.1328	        	        	        	        	       0	( 12  9  9)	  0  1 :  1
-  12158.1328	        	        	        	        	       0	( 13 11  4)	  0  1 :  1
-  12158.1328	        	        	        	        	       0	( 15  9  0)	  0  1 :  1
-  12158.1328	        	        	        	        	       0	( 16  5  5)	  0  1 :  1
-  12158.1328	        	        	        	        	       0	( 16  7  1)	  0  1 :  1
-  12158.1328	        	        	        	        	       0	( 17  4  1)	  0  1 :  1
+  12158.1338	        	        	        	        	       0	(  4 17  1)	  0  1 :  1
+  12158.1338	        	        	        	        	       0	(  7 16  1)	  0  1 :  1
+  12158.1338	        	        	        	        	       0	(  9 15  0)	  0  1 :  1
+  12158.1338	        	        	        	        	       0	( 11 11  8)	  0  1 :  1
+  12158.1338	        	        	        	        	       0	( 11 13  4)	  0  1 :  1
+  12158.1338	        	        	        	        	       0	( 12  9  9)	  0  1 :  1
+  12158.1338	        	        	        	        	       0	( 13 11  4)	  0  1 :  1
+  12158.1338	        	        	        	        	       0	( 15  9  0)	  0  1 :  1
+  12158.1338	        	        	        	        	       0	( 16  5  5)	  0  1 :  1
+  12158.1338	        	        	        	        	       0	( 16  7  1)	  0  1 :  1
+  12158.1338	        	        	        	        	       0	( 17  4  1)	  0  1 :  1
   12198.1064	        	        	        	        	       0	( 12 12  4)	  0  1 :  1
-  12238.4746	        	        	        	        	       0	(  3 17  2)	  0  1 :  1
-  12238.4746	        	        	        	        	       0	(  9 14  5)	  0  1 :  1
-  12238.4746	        	        	        	        	       0	( 10 11  9)	  0  1 :  1
-  12238.4746	        	        	        	        	       0	( 11 10  9)	  0  1 :  1
-  12238.4746	        	        	        	        	       0	( 14  9  5)	  0  1 :  1
-  12238.4746	        	        	        	        	       0	( 17  3  2)	  0  1 :  1
-  12279.2480	        	        	        	        	       0	( 10 10 10)	  0  1 :  1
-  12279.2480	        	        	        	        	       0	( 10 14  2)	  0  1 :  1
-  12279.2480	        	        	        	        	       0	( 14 10  2)	  0  1 :  1
-  12320.4297	        	        	        	        	       0	(  3 17  0)	  0  1 :  1
-  12320.4297	        	        	        	        	       0	(  8 15  3)	  0  1 :  1
-  12320.4297	        	        	        	        	       0	( 15  8  3)	  0  1 :  1
-  12320.4297	        	        	        	        	       0	( 17  3  0)	  0  1 :  1
-  12362.0273	        	        	        	        	       0	(  6 16  2)	  0  1 :  1
-  12362.0273	        	        	        	        	       0	(  8 14  6)	  0  1 :  1
-  12362.0273	        	        	        	        	       0	( 10 14  0)	  0  1 :  1
-  12362.0273	        	        	        	        	       0	( 14  8  6)	  0  1 :  1
-  12362.0273	        	        	        	        	       0	( 14 10  0)	  0  1 :  1
-  12362.0273	        	        	        	        	       0	( 16  6  2)	  0  1 :  1
-  12404.0498	        	        	        	        	       0	(  2 17  1)	  0  1 :  1
-  12404.0498	        	        	        	        	       0	( 10 13  5)	  0  1 :  1
-  12404.0498	        	        	        	        	       0	( 11 13  2)	  0  1 :  1
-  12404.0498	        	        	        	        	       0	( 13 10  5)	  0  1 :  1
-  12404.0498	        	        	        	        	       0	( 13 11  2)	  0  1 :  1
-  12404.0498	        	        	        	        	       0	( 14  7  7)	  0  1 :  1
-  12404.0498	        	        	        	        	       0	( 17  2  1)	  0  1 :  1
+  12238.4756	        	        	        	        	       0	(  3 17  2)	  0  1 :  1
+  12238.4756	        	        	        	        	       0	(  9 14  5)	  0  1 :  1
+  12238.4756	        	        	        	        	       0	( 10 11  9)	  0  1 :  1
+  12238.4756	        	        	        	        	       0	( 11 10  9)	  0  1 :  1
+  12238.4756	        	        	        	        	       0	( 14  9  5)	  0  1 :  1
+  12238.4756	        	        	        	        	       0	( 17  3  2)	  0  1 :  1
+  12279.2471	        	        	        	        	       0	( 10 10 10)	  0  1 :  1
+  12279.2471	        	        	        	        	       0	( 10 14  2)	  0  1 :  1
+  12279.2471	        	        	        	        	       0	( 14 10  2)	  0  1 :  1
+  12320.4307	        	        	        	        	       0	(  3 17  0)	  0  1 :  1
+  12320.4307	        	        	        	        	       0	(  8 15  3)	  0  1 :  1
+  12320.4307	        	        	        	        	       0	( 15  8  3)	  0  1 :  1
+  12320.4307	        	        	        	        	       0	( 17  3  0)	  0  1 :  1
+  12362.0293	        	        	        	        	       0	(  6 16  2)	  0  1 :  1
+  12362.0293	        	        	        	        	       0	(  8 14  6)	  0  1 :  1
+  12362.0293	        	        	        	        	       0	( 10 14  0)	  0  1 :  1
+  12362.0293	        	        	        	        	       0	( 14  8  6)	  0  1 :  1
+  12362.0293	        	        	        	        	       0	( 14 10  0)	  0  1 :  1
+  12362.0293	        	        	        	        	       0	( 16  6  2)	  0  1 :  1
+  12404.0508	        	        	        	        	       0	(  2 17  1)	  0  1 :  1
+  12404.0508	        	        	        	        	       0	( 10 13  5)	  0  1 :  1
+  12404.0508	        	        	        	        	       0	( 11 13  2)	  0  1 :  1
+  12404.0508	        	        	        	        	       0	( 13 10  5)	  0  1 :  1
+  12404.0508	        	        	        	        	       0	( 13 11  2)	  0  1 :  1
+  12404.0508	        	        	        	        	       0	( 14  7  7)	  0  1 :  1
+  12404.0508	        	        	        	        	       0	( 17  2  1)	  0  1 :  1
   12446.5039	        	        	        	        	       0	(  6 16  0)	  0  1 :  1
   12446.5039	        	        	        	        	       0	( 12 12  2)	  0  1 :  1
   12446.5039	        	        	        	        	       0	( 16  6  0)	  0  1 :  1
@@ -5452,12 +5452,12 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   12489.3945	        	        	        	        	       0	( 17  1  0)	  0  1 :  1
   12532.7324	        	        	        	        	       0	( 12 12  0)	  0  1 :  1
   12532.7324	        	        	        	        	       0	( 16  4  4)	  0  1 :  1
-  12576.5254	        	        	        	        	       0	(  6 15  5)	  0  1 :  1
-  12576.5254	        	        	        	        	       0	(  9 13  6)	  0  1 :  1
-  12576.5254	        	        	        	        	       0	(  9 14  3)	  0  1 :  1
-  12576.5254	        	        	        	        	       0	( 13  9  6)	  0  1 :  1
-  12576.5254	        	        	        	        	       0	( 14  9  3)	  0  1 :  1
-  12576.5254	        	        	        	        	       0	( 15  6  5)	  0  1 :  1
+  12576.5244	        	        	        	        	       0	(  6 15  5)	  0  1 :  1
+  12576.5244	        	        	        	        	       0	(  9 13  6)	  0  1 :  1
+  12576.5244	        	        	        	        	       0	(  9 14  3)	  0  1 :  1
+  12576.5244	        	        	        	        	       0	( 13  9  6)	  0  1 :  1
+  12576.5244	        	        	        	        	       0	( 14  9  3)	  0  1 :  1
+  12576.5244	        	        	        	        	       0	( 15  6  5)	  0  1 :  1
   12665.5010	        	        	        	        	       0	(  5 16  1)	  0  1 :  1
   12665.5010	        	        	        	        	       0	(  8 13  7)	  0  1 :  1
   12665.5010	        	        	        	        	       0	( 13  8  7)	  0  1 :  1
@@ -5493,43 +5493,43 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   12944.1924	        	        	        	        	       0	( 13 10  1)	  0  1 :  1
   12944.1924	        	        	        	        	       0	( 14  7  5)	  0  1 :  1
   12944.1924	        	        	        	        	       0	( 15  6  3)	  0  1 :  1
-  12992.4531	        	        	        	        	       0	( 14  6  6)	  0  1 :  1
-  13041.2549	        	        	        	        	       0	(  3 16  1)	  0  1 :  1
-  13041.2549	        	        	        	        	       0	(  5 15  4)	  0  1 :  1
-  13041.2549	        	        	        	        	       0	(  9 11  8)	  0  1 :  1
-  13041.2549	        	        	        	        	       0	(  9 13  4)	  0  1 :  1
-  13041.2549	        	        	        	        	       0	( 11  9  8)	  0  1 :  1
-  13041.2549	        	        	        	        	       0	( 11 12  1)	  0  1 :  1
-  13041.2549	        	        	        	        	       0	( 12 11  1)	  0  1 :  1
-  13041.2549	        	        	        	        	       0	( 13  9  4)	  0  1 :  1
-  13041.2549	        	        	        	        	       0	( 15  5  4)	  0  1 :  1
-  13041.2549	        	        	        	        	       0	( 16  3  1)	  0  1 :  1
+  12992.4521	        	        	        	        	       0	( 14  6  6)	  0  1 :  1
+  13041.2539	        	        	        	        	       0	(  3 16  1)	  0  1 :  1
+  13041.2539	        	        	        	        	       0	(  5 15  4)	  0  1 :  1
+  13041.2539	        	        	        	        	       0	(  9 11  8)	  0  1 :  1
+  13041.2539	        	        	        	        	       0	(  9 13  4)	  0  1 :  1
+  13041.2539	        	        	        	        	       0	( 11  9  8)	  0  1 :  1
+  13041.2539	        	        	        	        	       0	( 11 12  1)	  0  1 :  1
+  13041.2539	        	        	        	        	       0	( 12 11  1)	  0  1 :  1
+  13041.2539	        	        	        	        	       0	( 13  9  4)	  0  1 :  1
+  13041.2539	        	        	        	        	       0	( 15  5  4)	  0  1 :  1
+  13041.2539	        	        	        	        	       0	( 16  3  1)	  0  1 :  1
   13090.6123	        	        	        	        	       0	(  8 14  2)	  0  1 :  1
   13090.6123	        	        	        	        	       0	( 10 10  8)	  0  1 :  1
   13090.6123	        	        	        	        	       0	( 14  8  2)	  0  1 :  1
   13090.6123	        	        	        	        	       0	( 16  2  2)	  0  1 :  1
-  13140.5312	        	        	        	        	       0	(  6 15  1)	  0  1 :  1
-  13140.5312	        	        	        	        	       0	( 10  9  9)	  0  1 :  1
-  13140.5312	        	        	        	        	       0	( 15  6  1)	  0  1 :  1
-  13191.0273	        	        	        	        	       0	(  2 16  0)	  0  1 :  1
-  13191.0273	        	        	        	        	       0	(  8 14  0)	  0  1 :  1
-  13191.0273	        	        	        	        	       0	( 10 12  4)	  0  1 :  1
-  13191.0273	        	        	        	        	       0	( 12 10  4)	  0  1 :  1
-  13191.0273	        	        	        	        	       0	( 14  8  0)	  0  1 :  1
-  13191.0273	        	        	        	        	       0	( 16  2  0)	  0  1 :  1
-  13242.1084	        	        	        	        	       0	(  8 13  5)	  0  1 :  1
-  13242.1084	        	        	        	        	       0	( 11 11  4)	  0  1 :  1
-  13242.1084	        	        	        	        	       0	( 13  8  5)	  0  1 :  1
-  13242.1084	        	        	        	        	       0	( 16  1  1)	  0  1 :  1
+  13140.5322	        	        	        	        	       0	(  6 15  1)	  0  1 :  1
+  13140.5322	        	        	        	        	       0	( 10  9  9)	  0  1 :  1
+  13140.5322	        	        	        	        	       0	( 15  6  1)	  0  1 :  1
+  13191.0264	        	        	        	        	       0	(  2 16  0)	  0  1 :  1
+  13191.0264	        	        	        	        	       0	(  8 14  0)	  0  1 :  1
+  13191.0264	        	        	        	        	       0	( 10 12  4)	  0  1 :  1
+  13191.0264	        	        	        	        	       0	( 12 10  4)	  0  1 :  1
+  13191.0264	        	        	        	        	       0	( 14  8  0)	  0  1 :  1
+  13191.0264	        	        	        	        	       0	( 16  2  0)	  0  1 :  1
+  13242.1074	        	        	        	        	       0	(  8 13  5)	  0  1 :  1
+  13242.1074	        	        	        	        	       0	( 11 11  4)	  0  1 :  1
+  13242.1074	        	        	        	        	       0	( 13  8  5)	  0  1 :  1
+  13242.1074	        	        	        	        	       0	( 16  1  1)	  0  1 :  1
   13293.7881	        	        	        	        	       0	( 16  0  0)	  0  1 :  1
-  13346.0752	        	        	        	        	       0	(  5 15  2)	  0  1 :  1
-  13346.0752	        	        	        	        	       0	(  7 13  6)	  0  1 :  1
-  13346.0752	        	        	        	        	       0	(  7 14  3)	  0  1 :  1
-  13346.0752	        	        	        	        	       0	(  9 13  2)	  0  1 :  1
-  13346.0752	        	        	        	        	       0	( 13  7  6)	  0  1 :  1
-  13346.0752	        	        	        	        	       0	( 13  9  2)	  0  1 :  1
-  13346.0752	        	        	        	        	       0	( 14  7  3)	  0  1 :  1
-  13346.0752	        	        	        	        	       0	( 15  5  2)	  0  1 :  1
+  13346.0762	        	        	        	        	       0	(  5 15  2)	  0  1 :  1
+  13346.0762	        	        	        	        	       0	(  7 13  6)	  0  1 :  1
+  13346.0762	        	        	        	        	       0	(  7 14  3)	  0  1 :  1
+  13346.0762	        	        	        	        	       0	(  9 13  2)	  0  1 :  1
+  13346.0762	        	        	        	        	       0	( 13  7  6)	  0  1 :  1
+  13346.0762	        	        	        	        	       0	( 13  9  2)	  0  1 :  1
+  13346.0762	        	        	        	        	       0	( 14  7  3)	  0  1 :  1
+  13346.0762	        	        	        	        	       0	( 15  5  2)	  0  1 :  1
   13452.5273	        	        	        	        	       0	(  4 15  3)	  0  1 :  1
   13452.5273	        	        	        	        	       0	(  5 15  0)	  0  1 :  1
   13452.5273	        	        	        	        	       0	(  9 12  5)	  0  1 :  1
@@ -5542,39 +5542,39 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   13506.7168	        	        	        	        	       0	( 10 12  2)	  0  1 :  1
   13506.7168	        	        	        	        	       0	( 12 10  2)	  0  1 :  1
   13506.7168	        	        	        	        	       0	( 14  6  4)	  0  1 :  1
-  13561.5635	        	        	        	        	       0	(  7 14  1)	  0  1 :  1
-  13561.5635	        	        	        	        	       0	( 10 11  5)	  0  1 :  1
-  13561.5635	        	        	        	        	       0	( 11 10  5)	  0  1 :  1
-  13561.5635	        	        	        	        	       0	( 11 11  2)	  0  1 :  1
-  13561.5635	        	        	        	        	       0	( 14  5  5)	  0  1 :  1
-  13561.5635	        	        	        	        	       0	( 14  7  1)	  0  1 :  1
+  13561.5664	        	        	        	        	       0	(  7 14  1)	  0  1 :  1
+  13561.5664	        	        	        	        	       0	( 10 11  5)	  0  1 :  1
+  13561.5664	        	        	        	        	       0	( 11 10  5)	  0  1 :  1
+  13561.5664	        	        	        	        	       0	( 11 11  2)	  0  1 :  1
+  13561.5664	        	        	        	        	       0	( 14  5  5)	  0  1 :  1
+  13561.5664	        	        	        	        	       0	( 14  7  1)	  0  1 :  1
   13617.0869	        	        	        	        	       0	(  8 12  6)	  0  1 :  1
   13617.0869	        	        	        	        	       0	( 10 12  0)	  0  1 :  1
   13617.0869	        	        	        	        	       0	( 12  8  6)	  0  1 :  1
   13617.0869	        	        	        	        	       0	( 12 10  0)	  0  1 :  1
-  13673.2959	        	        	        	        	       0	(  4 15  1)	  0  1 :  1
-  13673.2959	        	        	        	        	       0	(  8 13  3)	  0  1 :  1
-  13673.2959	        	        	        	        	       0	( 11 11  0)	  0  1 :  1
-  13673.2959	        	        	        	        	       0	( 12  7  7)	  0  1 :  1
-  13673.2959	        	        	        	        	       0	( 13  8  3)	  0  1 :  1
-  13673.2959	        	        	        	        	       0	( 15  4  1)	  0  1 :  1
-  13787.8311	        	        	        	        	       0	(  3 15  2)	  0  1 :  1
-  13787.8311	        	        	        	        	       0	(  9 11  6)	  0  1 :  1
-  13787.8311	        	        	        	        	       0	( 11  9  6)	  0  1 :  1
-  13787.8311	        	        	        	        	       0	( 15  3  2)	  0  1 :  1
+  13673.2949	        	        	        	        	       0	(  4 15  1)	  0  1 :  1
+  13673.2949	        	        	        	        	       0	(  8 13  3)	  0  1 :  1
+  13673.2949	        	        	        	        	       0	( 11 11  0)	  0  1 :  1
+  13673.2949	        	        	        	        	       0	( 12  7  7)	  0  1 :  1
+  13673.2949	        	        	        	        	       0	( 13  8  3)	  0  1 :  1
+  13673.2949	        	        	        	        	       0	( 15  4  1)	  0  1 :  1
+  13787.8291	        	        	        	        	       0	(  3 15  2)	  0  1 :  1
+  13787.8291	        	        	        	        	       0	(  9 11  6)	  0  1 :  1
+  13787.8291	        	        	        	        	       0	( 11  9  6)	  0  1 :  1
+  13787.8291	        	        	        	        	       0	( 15  3  2)	  0  1 :  1
   13846.1855	        	        	        	        	       0	(  6 14  2)	  0  1 :  1
   13846.1855	        	        	        	        	       0	( 10 10  6)	  0  1 :  1
   13846.1855	        	        	        	        	       0	( 14  6  2)	  0  1 :  1
-  13905.2891	        	        	        	        	       0	(  3 15  0)	  0  1 :  1
-  13905.2891	        	        	        	        	       0	(  7 13  4)	  0  1 :  1
-  13905.2891	        	        	        	        	       0	(  8 11  7)	  0  1 :  1
-  13905.2891	        	        	        	        	       0	(  8 13  1)	  0  1 :  1
-  13905.2891	        	        	        	        	       0	(  9 12  3)	  0  1 :  1
-  13905.2891	        	        	        	        	       0	( 11  8  7)	  0  1 :  1
-  13905.2891	        	        	        	        	       0	( 12  9  3)	  0  1 :  1
-  13905.2891	        	        	        	        	       0	( 13  7  4)	  0  1 :  1
-  13905.2891	        	        	        	        	       0	( 13  8  1)	  0  1 :  1
-  13905.2891	        	        	        	        	       0	( 15  3  0)	  0  1 :  1
+  13905.2910	        	        	        	        	       0	(  3 15  0)	  0  1 :  1
+  13905.2910	        	        	        	        	       0	(  7 13  4)	  0  1 :  1
+  13905.2910	        	        	        	        	       0	(  8 11  7)	  0  1 :  1
+  13905.2910	        	        	        	        	       0	(  8 13  1)	  0  1 :  1
+  13905.2910	        	        	        	        	       0	(  9 12  3)	  0  1 :  1
+  13905.2910	        	        	        	        	       0	( 11  8  7)	  0  1 :  1
+  13905.2910	        	        	        	        	       0	( 12  9  3)	  0  1 :  1
+  13905.2910	        	        	        	        	       0	( 13  7  4)	  0  1 :  1
+  13905.2910	        	        	        	        	       0	( 13  8  1)	  0  1 :  1
+  13905.2910	        	        	        	        	       0	( 15  3  0)	  0  1 :  1
   13965.1553	        	        	        	        	       0	(  6 14  0)	  0  1 :  1
   13965.1553	        	        	        	        	       0	( 14  6  0)	  0  1 :  1
   14025.7998	        	        	        	        	       0	(  2 15  1)	  0  1 :  1
@@ -5596,33 +5596,33 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   14149.4961	        	        	        	        	       0	( 15  1  0)	  0  1 :  1
   14212.5820	        	        	        	        	       0	(  8 12  4)	  0  1 :  1
   14212.5820	        	        	        	        	       0	( 12  8  4)	  0  1 :  1
-  14276.5195	        	        	        	        	       0	(  5 14  1)	  0  1 :  1
-  14276.5195	        	        	        	        	       0	(  7 13  2)	  0  1 :  1
-  14276.5195	        	        	        	        	       0	( 10 11  1)	  0  1 :  1
-  14276.5195	        	        	        	        	       0	( 11 10  1)	  0  1 :  1
-  14276.5195	        	        	        	        	       0	( 13  7  2)	  0  1 :  1
-  14276.5195	        	        	        	        	       0	( 14  5  1)	  0  1 :  1
-  14407.0225	        	        	        	        	       0	(  7 12  5)	  0  1 :  1
-  14407.0225	        	        	        	        	       0	(  7 13  0)	  0  1 :  1
-  14407.0225	        	        	        	        	       0	(  9 11  4)	  0  1 :  1
-  14407.0225	        	        	        	        	       0	( 11  9  4)	  0  1 :  1
-  14407.0225	        	        	        	        	       0	( 12  7  5)	  0  1 :  1
-  14407.0225	        	        	        	        	       0	( 13  7  0)	  0  1 :  1
-  14473.6318	        	        	        	        	       0	(  4 14  2)	  0  1 :  1
-  14473.6318	        	        	        	        	       0	( 10 10  4)	  0  1 :  1
-  14473.6318	        	        	        	        	       0	( 12  6  6)	  0  1 :  1
-  14473.6318	        	        	        	        	       0	( 14  4  2)	  0  1 :  1
+  14276.5186	        	        	        	        	       0	(  5 14  1)	  0  1 :  1
+  14276.5186	        	        	        	        	       0	(  7 13  2)	  0  1 :  1
+  14276.5186	        	        	        	        	       0	( 10 11  1)	  0  1 :  1
+  14276.5186	        	        	        	        	       0	( 11 10  1)	  0  1 :  1
+  14276.5186	        	        	        	        	       0	( 13  7  2)	  0  1 :  1
+  14276.5186	        	        	        	        	       0	( 14  5  1)	  0  1 :  1
+  14407.0234	        	        	        	        	       0	(  7 12  5)	  0  1 :  1
+  14407.0234	        	        	        	        	       0	(  7 13  0)	  0  1 :  1
+  14407.0234	        	        	        	        	       0	(  9 11  4)	  0  1 :  1
+  14407.0234	        	        	        	        	       0	( 11  9  4)	  0  1 :  1
+  14407.0234	        	        	        	        	       0	( 12  7  5)	  0  1 :  1
+  14407.0234	        	        	        	        	       0	( 13  7  0)	  0  1 :  1
+  14473.6299	        	        	        	        	       0	(  4 14  2)	  0  1 :  1
+  14473.6299	        	        	        	        	       0	( 10 10  4)	  0  1 :  1
+  14473.6299	        	        	        	        	       0	( 12  6  6)	  0  1 :  1
+  14473.6299	        	        	        	        	       0	( 14  4  2)	  0  1 :  1
   14541.1689	        	        	        	        	       0	(  6 13  3)	  0  1 :  1
   14541.1689	        	        	        	        	       0	( 13  6  3)	  0  1 :  1
   14541.1689	        	        	        	        	       0	( 14  3  3)	  0  1 :  1
-  14609.6621	        	        	        	        	       0	(  4 14  0)	  0  1 :  1
-  14609.6621	        	        	        	        	       0	(  8 12  2)	  0  1 :  1
-  14609.6621	        	        	        	        	       0	( 12  8  2)	  0  1 :  1
-  14609.6621	        	        	        	        	       0	( 14  4  0)	  0  1 :  1
-  14679.1289	        	        	        	        	       0	(  5 13  4)	  0  1 :  1
-  14679.1289	        	        	        	        	       0	(  8 11  5)	  0  1 :  1
-  14679.1289	        	        	        	        	       0	( 11  8  5)	  0  1 :  1
-  14679.1289	        	        	        	        	       0	( 13  5  4)	  0  1 :  1
+  14609.6611	        	        	        	        	       0	(  4 14  0)	  0  1 :  1
+  14609.6611	        	        	        	        	       0	(  8 12  2)	  0  1 :  1
+  14609.6611	        	        	        	        	       0	( 12  8  2)	  0  1 :  1
+  14609.6611	        	        	        	        	       0	( 14  4  0)	  0  1 :  1
+  14679.1299	        	        	        	        	       0	(  5 13  4)	  0  1 :  1
+  14679.1299	        	        	        	        	       0	(  8 11  5)	  0  1 :  1
+  14679.1299	        	        	        	        	       0	( 11  8  5)	  0  1 :  1
+  14679.1299	        	        	        	        	       0	( 13  5  4)	  0  1 :  1
   14749.5977	        	        	        	        	       0	(  8 12  0)	  0  1 :  1
   14749.5977	        	        	        	        	       0	( 12  8  0)	  0  1 :  1
   14821.0898	        	        	        	        	       0	(  3 14  1)	  0  1 :  1
@@ -5637,15 +5637,15 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   14821.0898	        	        	        	        	       0	( 14  3  1)	  0  1 :  1
   14893.6299	        	        	        	        	       0	( 10 10  2)	  0  1 :  1
   14893.6299	        	        	        	        	       0	( 14  2  2)	  0  1 :  1
-  14967.2432	        	        	        	        	       0	(  7 12  3)	  0  1 :  1
-  14967.2432	        	        	        	        	       0	(  9 11  0)	  0  1 :  1
-  14967.2432	        	        	        	        	       0	( 11  9  0)	  0  1 :  1
-  14967.2432	        	        	        	        	       0	( 12  7  3)	  0  1 :  1
-  15041.9629	        	        	        	        	       0	(  2 14  0)	  0  1 :  1
-  15041.9629	        	        	        	        	       0	(  8 10  6)	  0  1 :  1
-  15041.9629	        	        	        	        	       0	( 10  8  6)	  0  1 :  1
-  15041.9629	        	        	        	        	       0	( 10 10  0)	  0  1 :  1
-  15041.9629	        	        	        	        	       0	( 14  2  0)	  0  1 :  1
+  14967.2471	        	        	        	        	       0	(  7 12  3)	  0  1 :  1
+  14967.2471	        	        	        	        	       0	(  9 11  0)	  0  1 :  1
+  14967.2471	        	        	        	        	       0	( 11  9  0)	  0  1 :  1
+  14967.2471	        	        	        	        	       0	( 12  7  3)	  0  1 :  1
+  15041.9600	        	        	        	        	       0	(  2 14  0)	  0  1 :  1
+  15041.9600	        	        	        	        	       0	(  8 10  6)	  0  1 :  1
+  15041.9600	        	        	        	        	       0	( 10  8  6)	  0  1 :  1
+  15041.9600	        	        	        	        	       0	( 10 10  0)	  0  1 :  1
+  15041.9600	        	        	        	        	       0	( 14  2  0)	  0  1 :  1
   15117.8076	        	        	        	        	       0	(  5 13  2)	  0  1 :  1
   15117.8076	        	        	        	        	       0	(  9  9  6)	  0  1 :  1
   15117.8076	        	        	        	        	       0	( 10  7  7)	  0  1 :  1
@@ -5665,15 +5665,15 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   15273.0020	        	        	        	        	       0	( 12  7  1)	  0  1 :  1
   15273.0020	        	        	        	        	       0	( 13  4  3)	  0  1 :  1
   15273.0020	        	        	        	        	       0	( 13  5  0)	  0  1 :  1
-  15352.4111	        	        	        	        	       0	(  8  8  8)	  0  1 :  1
-  15433.0732	        	        	        	        	       0	(  9 10  3)	  0  1 :  1
-  15433.0732	        	        	        	        	       0	( 10  9  3)	  0  1 :  1
-  15598.2793	        	        	        	        	       0	(  4 13  1)	  0  1 :  1
-  15598.2793	        	        	        	        	       0	(  7 11  4)	  0  1 :  1
-  15598.2793	        	        	        	        	       0	(  8 11  1)	  0  1 :  1
-  15598.2793	        	        	        	        	       0	( 11  7  4)	  0  1 :  1
-  15598.2793	        	        	        	        	       0	( 11  8  1)	  0  1 :  1
-  15598.2793	        	        	        	        	       0	( 13  4  1)	  0  1 :  1
+  15352.4121	        	        	        	        	       0	(  8  8  8)	  0  1 :  1
+  15433.0713	        	        	        	        	       0	(  9 10  3)	  0  1 :  1
+  15433.0713	        	        	        	        	       0	( 10  9  3)	  0  1 :  1
+  15598.2783	        	        	        	        	       0	(  4 13  1)	  0  1 :  1
+  15598.2783	        	        	        	        	       0	(  7 11  4)	  0  1 :  1
+  15598.2783	        	        	        	        	       0	(  8 11  1)	  0  1 :  1
+  15598.2783	        	        	        	        	       0	( 11  7  4)	  0  1 :  1
+  15598.2783	        	        	        	        	       0	( 11  8  1)	  0  1 :  1
+  15598.2783	        	        	        	        	       0	( 13  4  1)	  0  1 :  1
   15682.8936	        	        	        	        	       0	(  6 12  2)	  0  1 :  1
   15682.8936	        	        	        	        	       0	( 12  6  2)	  0  1 :  1
   15768.9014	        	        	        	        	       0	(  3 13  2)	  0  1 :  1
@@ -5682,23 +5682,23 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   15768.9014	        	        	        	        	       0	( 10  9  1)	  0  1 :  1
   15768.9014	        	        	        	        	       0	( 11  6  5)	  0  1 :  1
   15768.9014	        	        	        	        	       0	( 13  3  2)	  0  1 :  1
-  15856.3379	        	        	        	        	       0	(  6 12  0)	  0  1 :  1
-  15856.3379	        	        	        	        	       0	(  8 10  4)	  0  1 :  1
-  15856.3379	        	        	        	        	       0	( 10  8  4)	  0  1 :  1
-  15856.3379	        	        	        	        	       0	( 12  6  0)	  0  1 :  1
-  15945.2441	        	        	        	        	       0	(  3 13  0)	  0  1 :  1
-  15945.2441	        	        	        	        	       0	(  5 12  3)	  0  1 :  1
-  15945.2441	        	        	        	        	       0	(  9  9  4)	  0  1 :  1
-  15945.2441	        	        	        	        	       0	( 12  5  3)	  0  1 :  1
-  15945.2441	        	        	        	        	       0	( 13  3  0)	  0  1 :  1
-  16035.6602	        	        	        	        	       0	( 12  4  4)	  0  1 :  1
-  16127.6318	        	        	        	        	       0	(  2 13  1)	  0  1 :  1
-  16127.6318	        	        	        	        	       0	(  7 10  5)	  0  1 :  1
-  16127.6318	        	        	        	        	       0	(  7 11  2)	  0  1 :  1
-  16127.6318	        	        	        	        	       0	( 10  7  5)	  0  1 :  1
-  16127.6318	        	        	        	        	       0	( 11  7  2)	  0  1 :  1
-  16127.6318	        	        	        	        	       0	( 13  2  1)	  0  1 :  1
-  16221.2041	        	        	        	        	       0	( 10  6  6)	  0  1 :  1
+  15856.3369	        	        	        	        	       0	(  6 12  0)	  0  1 :  1
+  15856.3369	        	        	        	        	       0	(  8 10  4)	  0  1 :  1
+  15856.3369	        	        	        	        	       0	( 10  8  4)	  0  1 :  1
+  15856.3369	        	        	        	        	       0	( 12  6  0)	  0  1 :  1
+  15945.2432	        	        	        	        	       0	(  3 13  0)	  0  1 :  1
+  15945.2432	        	        	        	        	       0	(  5 12  3)	  0  1 :  1
+  15945.2432	        	        	        	        	       0	(  9  9  4)	  0  1 :  1
+  15945.2432	        	        	        	        	       0	( 12  5  3)	  0  1 :  1
+  15945.2432	        	        	        	        	       0	( 13  3  0)	  0  1 :  1
+  16035.6592	        	        	        	        	       0	( 12  4  4)	  0  1 :  1
+  16127.6328	        	        	        	        	       0	(  2 13  1)	  0  1 :  1
+  16127.6328	        	        	        	        	       0	(  7 10  5)	  0  1 :  1
+  16127.6328	        	        	        	        	       0	(  7 11  2)	  0  1 :  1
+  16127.6328	        	        	        	        	       0	( 10  7  5)	  0  1 :  1
+  16127.6328	        	        	        	        	       0	( 11  7  2)	  0  1 :  1
+  16127.6328	        	        	        	        	       0	( 13  2  1)	  0  1 :  1
+  16221.2021	        	        	        	        	       0	( 10  6  6)	  0  1 :  1
   16316.4199	        	        	        	        	       0	(  1 13  0)	  0  1 :  1
   16316.4199	        	        	        	        	       0	(  5 12  1)	  0  1 :  1
   16316.4199	        	        	        	        	       0	(  7 11  0)	  0  1 :  1
@@ -5714,18 +5714,18 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   16511.9922	        	        	        	        	       0	(  9  7  6)	  0  1 :  1
   16511.9922	        	        	        	        	       0	(  9  9  2)	  0  1 :  1
   16511.9922	        	        	        	        	       0	( 11  6  3)	  0  1 :  1
-  16612.4492	        	        	        	        	       0	(  4 12  2)	  0  1 :  1
-  16612.4492	        	        	        	        	       0	(  8  8  6)	  0  1 :  1
-  16612.4492	        	        	        	        	       0	(  8 10  0)	  0  1 :  1
-  16612.4492	        	        	        	        	       0	( 10  8  0)	  0  1 :  1
-  16612.4492	        	        	        	        	       0	( 12  4  2)	  0  1 :  1
+  16612.4512	        	        	        	        	       0	(  4 12  2)	  0  1 :  1
+  16612.4512	        	        	        	        	       0	(  8  8  6)	  0  1 :  1
+  16612.4512	        	        	        	        	       0	(  8 10  0)	  0  1 :  1
+  16612.4512	        	        	        	        	       0	( 10  8  0)	  0  1 :  1
+  16612.4512	        	        	        	        	       0	( 12  4  2)	  0  1 :  1
   16714.7617	        	        	        	        	       0	(  5 11  4)	  0  1 :  1
   16714.7617	        	        	        	        	       0	(  8  7  7)	  0  1 :  1
   16714.7617	        	        	        	        	       0	(  9  9  0)	  0  1 :  1
   16714.7617	        	        	        	        	       0	( 11  5  4)	  0  1 :  1
   16714.7617	        	        	        	        	       0	( 12  3  3)	  0  1 :  1
-  16818.9863	        	        	        	        	       0	(  4 12  0)	  0  1 :  1
-  16818.9863	        	        	        	        	       0	( 12  4  0)	  0  1 :  1
+  16818.9883	        	        	        	        	       0	(  4 12  0)	  0  1 :  1
+  16818.9883	        	        	        	        	       0	( 12  4  0)	  0  1 :  1
   16925.1855	        	        	        	        	       0	(  6 11  1)	  0  1 :  1
   16925.1855	        	        	        	        	       0	(  7 10  3)	  0  1 :  1
   16925.1855	        	        	        	        	       0	( 10  7  3)	  0  1 :  1
@@ -5742,8 +5742,8 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   17371.0059	        	        	        	        	       0	( 10  5  5)	  0  1 :  1
   17371.0059	        	        	        	        	       0	( 10  7  1)	  0  1 :  1
   17371.0059	        	        	        	        	       0	( 11  5  2)	  0  1 :  1
-  17488.0742	        	        	        	        	       0	(  2 12  0)	  0  1 :  1
-  17488.0742	        	        	        	        	       0	( 12  2  0)	  0  1 :  1
+  17488.0723	        	        	        	        	       0	(  2 12  0)	  0  1 :  1
+  17488.0723	        	        	        	        	       0	( 12  2  0)	  0  1 :  1
   17607.5371	        	        	        	        	       0	(  4 11  3)	  0  1 :  1
   17607.5371	        	        	        	        	       0	(  5 11  0)	  0  1 :  1
   17607.5371	        	        	        	        	       0	(  7  9  4)	  0  1 :  1
@@ -5753,8 +5753,8 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   17607.5371	        	        	        	        	       0	( 11  4  3)	  0  1 :  1
   17607.5371	        	        	        	        	       0	( 11  5  0)	  0  1 :  1
   17607.5371	        	        	        	        	       0	( 12  1  1)	  0  1 :  1
-  17729.4785	        	        	        	        	       0	(  8  8  4)	  0  1 :  1
-  17729.4785	        	        	        	        	       0	( 12  0  0)	  0  1 :  1
+  17729.4805	        	        	        	        	       0	(  8  8  4)	  0  1 :  1
+  17729.4805	        	        	        	        	       0	( 12  0  0)	  0  1 :  1
   17853.9883	        	        	        	        	       0	(  6  9  5)	  0  1 :  1
   17853.9883	        	        	        	        	       0	(  9  6  5)	  0  1 :  1
   17981.1602	        	        	        	        	       0	(  6 10  2)	  0  1 :  1
@@ -5779,7 +5779,7 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   18660.4238	        	        	        	        	       0	(  7  9  0)	  0  1 :  1
   18660.4238	        	        	        	        	       0	(  9  7  0)	  0  1 :  1
   18660.4238	        	        	        	        	       0	( 11  3  0)	  0  1 :  1
-  18805.7441	        	        	        	        	       0	(  8  8  0)	  0  1 :  1
+  18805.7461	        	        	        	        	       0	(  8  8  0)	  0  1 :  1
   18954.5098	        	        	        	        	       0	(  2 11  1)	  0  1 :  1
   18954.5098	        	        	        	        	       0	(  5 10  1)	  0  1 :  1
   18954.5098	        	        	        	        	       0	(  6  9  3)	  0  1 :  1
@@ -5797,14 +5797,14 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   19586.9316	        	        	        	        	       0	(  6  9  1)	  0  1 :  1
   19586.9316	        	        	        	        	       0	(  9  6  1)	  0  1 :  1
   19586.9316	        	        	        	        	       0	( 10  3  3)	  0  1 :  1
-  19755.1719	        	        	        	        	       0	(  4 10  0)	  0  1 :  1
-  19755.1719	        	        	        	        	       0	(  6  8  4)	  0  1 :  1
-  19755.1719	        	        	        	        	       0	(  8  6  4)	  0  1 :  1
-  19755.1719	        	        	        	        	       0	( 10  4  0)	  0  1 :  1
-  19927.8262	        	        	        	        	       0	(  7  7  4)	  0  1 :  1
-  19927.8262	        	        	        	        	       0	(  7  8  1)	  0  1 :  1
-  19927.8262	        	        	        	        	       0	(  8  5  5)	  0  1 :  1
-  19927.8262	        	        	        	        	       0	(  8  7  1)	  0  1 :  1
+  19755.1758	        	        	        	        	       0	(  4 10  0)	  0  1 :  1
+  19755.1758	        	        	        	        	       0	(  6  8  4)	  0  1 :  1
+  19755.1758	        	        	        	        	       0	(  8  6  4)	  0  1 :  1
+  19755.1758	        	        	        	        	       0	( 10  4  0)	  0  1 :  1
+  19927.8242	        	        	        	        	       0	(  7  7  4)	  0  1 :  1
+  19927.8242	        	        	        	        	       0	(  7  8  1)	  0  1 :  1
+  19927.8242	        	        	        	        	       0	(  8  5  5)	  0  1 :  1
+  19927.8242	        	        	        	        	       0	(  8  7  1)	  0  1 :  1
   20287.1445	        	        	        	        	       0	(  3 10  1)	  0  1 :  1
   20287.1445	        	        	        	        	       0	(  5  9  2)	  0  1 :  1
   20287.1445	        	        	        	        	       0	(  6  7  5)	  0  1 :  1
@@ -5817,12 +5817,12 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   20666.6152	        	        	        	        	       0	(  5  9  0)	  0  1 :  1
   20666.6152	        	        	        	        	       0	(  9  4  3)	  0  1 :  1
   20666.6152	        	        	        	        	       0	(  9  5  0)	  0  1 :  1
-  20864.5098	        	        	        	        	       0	(  2 10  0)	  0  1 :  1
-  20864.5098	        	        	        	        	       0	(  6  8  2)	  0  1 :  1
-  20864.5098	        	        	        	        	       0	(  8  6  2)	  0  1 :  1
-  20864.5098	        	        	        	        	       0	( 10  2  0)	  0  1 :  1
-  21068.1934	        	        	        	        	       0	(  7  7  2)	  0  1 :  1
-  21068.1934	        	        	        	        	       0	( 10  1  1)	  0  1 :  1
+  20864.5117	        	        	        	        	       0	(  2 10  0)	  0  1 :  1
+  20864.5117	        	        	        	        	       0	(  6  8  2)	  0  1 :  1
+  20864.5117	        	        	        	        	       0	(  8  6  2)	  0  1 :  1
+  20864.5117	        	        	        	        	       0	( 10  2  0)	  0  1 :  1
+  21068.1953	        	        	        	        	       0	(  7  7  2)	  0  1 :  1
+  21068.1953	        	        	        	        	       0	( 10  1  1)	  0  1 :  1
   21277.9609	        	        	        	        	       0	(  6  8  0)	  0  1 :  1
   21277.9609	        	        	        	        	       0	(  8  6  0)	  0  1 :  1
   21277.9609	        	        	        	        	       0	( 10  0  0)	  0  1 :  1
@@ -5831,7 +5831,7 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   21494.1152	        	        	        	        	       0	(  7  7  0)	  0  1 :  1
   21494.1152	        	        	        	        	       0	(  8  5  3)	  0  1 :  1
   21494.1152	        	        	        	        	       0	(  9  4  1)	  0  1 :  1
-  21716.9941	        	        	        	        	       0	(  8  4  4)	  0  1 :  1
+  21716.9902	        	        	        	        	       0	(  8  4  4)	  0  1 :  1
   21946.9414	        	        	        	        	       0	(  3  9  2)	  0  1 :  1
   21946.9414	        	        	        	        	       0	(  6  7  3)	  0  1 :  1
   21946.9414	        	        	        	        	       0	(  7  6  3)	  0  1 :  1
@@ -5842,30 +5842,30 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   22429.6270	        	        	        	        	       0	(  7  5  4)	  0  1 :  1
   22429.6270	        	        	        	        	       0	(  8  5  1)	  0  1 :  1
   22429.6270	        	        	        	        	       0	(  9  3  0)	  0  1 :  1
-  22683.2188	        	        	        	        	       0	(  6  6  4)	  0  1 :  1
+  22683.2207	        	        	        	        	       0	(  6  6  4)	  0  1 :  1
   22945.6074	        	        	        	        	       0	(  2  9  1)	  0  1 :  1
   22945.6074	        	        	        	        	       0	(  6  5  5)	  0  1 :  1
   22945.6074	        	        	        	        	       0	(  6  7  1)	  0  1 :  1
   22945.6074	        	        	        	        	       0	(  7  6  1)	  0  1 :  1
   22945.6074	        	        	        	        	       0	(  9  2  1)	  0  1 :  1
-  23217.3125	        	        	        	        	       0	(  4  8  2)	  0  1 :  1
-  23217.3125	        	        	        	        	       0	(  8  4  2)	  0  1 :  1
+  23217.3105	        	        	        	        	       0	(  4  8  2)	  0  1 :  1
+  23217.3105	        	        	        	        	       0	(  8  4  2)	  0  1 :  1
   23498.8945	        	        	        	        	       0	(  1  9  0)	  0  1 :  1
   23498.8945	        	        	        	        	       0	(  8  3  3)	  0  1 :  1
   23498.8945	        	        	        	        	       0	(  9  1  0)	  0  1 :  1
-  23790.9727	        	        	        	        	       0	(  4  8  0)	  0  1 :  1
-  23790.9727	        	        	        	        	       0	(  8  4  0)	  0  1 :  1
+  23790.9746	        	        	        	        	       0	(  4  8  0)	  0  1 :  1
+  23790.9746	        	        	        	        	       0	(  8  4  0)	  0  1 :  1
   24094.2129	        	        	        	        	       0	(  5  7  2)	  0  1 :  1
   24094.2129	        	        	        	        	       0	(  7  5  2)	  0  1 :  1
   24409.3457	        	        	        	        	       0	(  6  6  2)	  0  1 :  1
-  24737.1660	        	        	        	        	       0	(  3  8  1)	  0  1 :  1
-  24737.1660	        	        	        	        	       0	(  4  7  3)	  0  1 :  1
-  24737.1660	        	        	        	        	       0	(  5  7  0)	  0  1 :  1
-  24737.1660	        	        	        	        	       0	(  7  4  3)	  0  1 :  1
-  24737.1660	        	        	        	        	       0	(  7  5  0)	  0  1 :  1
-  24737.1660	        	        	        	        	       0	(  8  3  1)	  0  1 :  1
-  25078.5547	        	        	        	        	       0	(  6  6  0)	  0  1 :  1
-  25078.5547	        	        	        	        	       0	(  8  2  2)	  0  1 :  1
+  24737.1699	        	        	        	        	       0	(  3  8  1)	  0  1 :  1
+  24737.1699	        	        	        	        	       0	(  4  7  3)	  0  1 :  1
+  24737.1699	        	        	        	        	       0	(  5  7  0)	  0  1 :  1
+  24737.1699	        	        	        	        	       0	(  7  4  3)	  0  1 :  1
+  24737.1699	        	        	        	        	       0	(  7  5  0)	  0  1 :  1
+  24737.1699	        	        	        	        	       0	(  8  3  1)	  0  1 :  1
+  25078.5566	        	        	        	        	       0	(  6  6  0)	  0  1 :  1
+  25078.5566	        	        	        	        	       0	(  8  2  2)	  0  1 :  1
   25434.4727	        	        	        	        	       0	(  5  6  3)	  0  1 :  1
   25434.4727	        	        	        	        	       0	(  6  5  3)	  0  1 :  1
   25805.9785	        	        	        	        	       0	(  2  8  0)	  0  1 :  1
@@ -5876,25 +5876,25 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   26194.2441	        	        	        	        	       0	(  7  4  1)	  0  1 :  1
   26194.2441	        	        	        	        	       0	(  8  1  1)	  0  1 :  1
   26600.5684	        	        	        	        	       0	(  8  0  0)	  0  1 :  1
-  27026.3984	        	        	        	        	       0	(  3  7  2)	  0  1 :  1
-  27026.3984	        	        	        	        	       0	(  5  6  1)	  0  1 :  1
-  27026.3984	        	        	        	        	       0	(  6  5  1)	  0  1 :  1
-  27026.3984	        	        	        	        	       0	(  7  3  2)	  0  1 :  1
+  27026.3965	        	        	        	        	       0	(  3  7  2)	  0  1 :  1
+  27026.3965	        	        	        	        	       0	(  5  6  1)	  0  1 :  1
+  27026.3965	        	        	        	        	       0	(  6  5  1)	  0  1 :  1
+  27026.3965	        	        	        	        	       0	(  7  3  2)	  0  1 :  1
   27943.2109	        	        	        	        	       0	(  3  7  0)	  0  1 :  1
   27943.2109	        	        	        	        	       0	(  7  3  0)	  0  1 :  1
   28438.0293	        	        	        	        	       0	(  4  6  2)	  0  1 :  1
   28438.0293	        	        	        	        	       0	(  6  4  2)	  0  1 :  1
-  28960.0918	        	        	        	        	       0	(  2  7  1)	  0  1 :  1
-  28960.0918	        	        	        	        	       0	(  5  5  2)	  0  1 :  1
-  28960.0918	        	        	        	        	       0	(  6  3  3)	  0  1 :  1
-  28960.0918	        	        	        	        	       0	(  7  2  1)	  0  1 :  1
+  28960.0879	        	        	        	        	       0	(  2  7  1)	  0  1 :  1
+  28960.0879	        	        	        	        	       0	(  5  5  2)	  0  1 :  1
+  28960.0879	        	        	        	        	       0	(  6  3  3)	  0  1 :  1
+  28960.0879	        	        	        	        	       0	(  7  2  1)	  0  1 :  1
   29511.9824	        	        	        	        	       0	(  4  6  0)	  0  1 :  1
   29511.9824	        	        	        	        	       0	(  6  4  0)	  0  1 :  1
-  30096.6680	        	        	        	        	       0	(  1  7  0)	  0  1 :  1
-  30096.6680	        	        	        	        	       0	(  4  5  3)	  0  1 :  1
-  30096.6680	        	        	        	        	       0	(  5  4  3)	  0  1 :  1
-  30096.6680	        	        	        	        	       0	(  5  5  0)	  0  1 :  1
-  30096.6680	        	        	        	        	       0	(  7  1  0)	  0  1 :  1
+  30096.6641	        	        	        	        	       0	(  1  7  0)	  0  1 :  1
+  30096.6641	        	        	        	        	       0	(  4  5  3)	  0  1 :  1
+  30096.6641	        	        	        	        	       0	(  5  4  3)	  0  1 :  1
+  30096.6641	        	        	        	        	       0	(  5  5  0)	  0  1 :  1
+  30096.6641	        	        	        	        	       0	(  7  1  0)	  0  1 :  1
   30717.5195	        	        	        	        	       0	(  4  4  4)	  0  1 :  1
   31378.4316	        	        	        	        	       0	(  3  6  1)	  0  1 :  1
   31378.4316	        	        	        	        	       0	(  6  3  1)	  0  1 :  1
@@ -5906,11 +5906,11 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   34524.9023	        	        	        	        	       0	(  3  5  2)	  0  1 :  1
   34524.9023	        	        	        	        	       0	(  5  3  2)	  0  1 :  1
   34524.9023	        	        	        	        	       0	(  6  1  1)	  0  1 :  1
-  35471.2578	        	        	        	        	       0	(  4  4  2)	  0  1 :  1
-  35471.2578	        	        	        	        	       0	(  6  0  0)	  0  1 :  1
-  36499.9336	        	        	        	        	       0	(  3  5  0)	  0  1 :  1
-  36499.9336	        	        	        	        	       0	(  4  3  3)	  0  1 :  1
-  36499.9336	        	        	        	        	       0	(  5  3  0)	  0  1 :  1
+  35471.2617	        	        	        	        	       0	(  4  4  2)	  0  1 :  1
+  35471.2617	        	        	        	        	       0	(  6  0  0)	  0  1 :  1
+  36499.9375	        	        	        	        	       0	(  3  5  0)	  0  1 :  1
+  36499.9375	        	        	        	        	       0	(  4  3  3)	  0  1 :  1
+  36499.9375	        	        	        	        	       0	(  5  3  0)	  0  1 :  1
   37623.5938	        	        	        	        	       0	(  4  4  0)	  0  1 :  1
   38857.8125	        	        	        	        	       0	(  2  5  1)	  0  1 :  1
   38857.8125	        	        	        	        	       0	(  5  2  1)	  0  1 :  1
@@ -5918,17 +5918,17 @@ YAG highres   Chi2: 15.2902  CELL:   10.25026  10.25026  10.25026   90.0000   90
   41740.7148	        	        	        	        	       0	(  3  4  1)	  0  1 :  1
   41740.7148	        	        	        	        	       0	(  4  3  1)	  0  1 :  1
   41740.7148	        	        	        	        	       0	(  5  1  0)	  0  1 :  1
-  43445.4961	        	        	        	        	       0	(  4  2  2)	  0  1 :  1
+  43445.4922	        	        	        	        	       0	(  4  2  2)	  0  1 :  1
   45377.7344	        	        	        	        	       0	(  3  3  2)	  0  1 :  1
-  47592.9844	        	        	        	        	       0	(  2  4  0)	  0  1 :  1
-  47592.9844	        	        	        	        	       0	(  4  2  0)	  0  1 :  1
+  47592.9883	        	        	        	        	       0	(  2  4  0)	  0  1 :  1
+  47592.9883	        	        	        	        	       0	(  4  2  0)	  0  1 :  1
   50167.8320	        	        	        	        	       0	(  3  3  0)	  0  1 :  1
   50167.8320	        	        	        	        	       0	(  4  1  1)	  0  1 :  1
   53211.4648	        	        	        	        	       0	(  4  0  0)	  0  1 :  1
-  56885.8750	        	        	        	        	       0	(  2  3  1)	  0  1 :  1
-  56885.8750	        	        	        	        	       0	(  3  2  1)	  0  1 :  1
+  56885.8789	        	        	        	        	       0	(  2  3  1)	  0  1 :  1
+  56885.8789	        	        	        	        	       0	(  3  2  1)	  0  1 :  1
   61444.1797	        	        	        	        	       0	(  2  2  2)	  0  1 :  1
   67309.0625	        	        	        	        	       0	(  1  3  0)	  0  1 :  1
   67309.0625	        	        	        	        	       0	(  3  1  0)	  0  1 :  1
   75253.9531	        	        	        	        	       0	(  2  2  0)	  0  1 :  1
-  86895.3906	        	        	        	        	       0	(  2  1  1)	  0  1 :  1
+  86895.3828	        	        	        	        	       0	(  2  1  1)	  0  1 :  1
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/TOF_irf_LookUpTable.irf b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/TOF_irf_LookUpTable.irf
new file mode 100644
index 000000000..2dcbb8ba3
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/TOF_irf_LookUpTable.irf
@@ -0,0 +1,128 @@
+  Instrumental Resolution Parameters for TOF (numerical look-up table) from:   Backscattering Bank (2theta= 144.845)  Si- Argonne
+! To be used with functions NPROF=9 in FullProf (Res=5)
+! This file can be used only for the effective range of d-spacings given in the list
+! ----------------------------------------------------  Bank 1
+!  Type of profile function: back-to-back expon * pseudo-Voigt
+NPROF   9
+!       Tof-min(us)       step      Tof-max(us)
+TOFRG    2000.00000       5.00000   29995.00000
+!             Dtt1              Dtt2       Dtt_1overD         Zero
+D2TOF      7476.91016        -1.54000         0.00000        -9.18766
+!     TOF-TWOTH of the bank
+TWOTH     144.845
+!       d-spacing       Sigma^2         Gamma            Alpha           Beta            Shift    for pattern # 1
+LIST_SIG_GAM_ALF_BET_SHIFT    NPOINTS <- Put here the number of points by editing NPOINTS below
+         0.26889         5.94342         0.68379         2.22060         1.85181         0.00000
+         0.27022         5.96707         0.68717         2.20969         1.81650         0.00000
+         0.27157         5.99120         0.69060         2.19872         1.78154         0.00000
+         0.27294         6.01581         0.69407         2.18770         1.74693         0.00000
+         0.27432         6.04093         0.69761         2.17662         1.71266         0.00000
+         0.27573         6.06656         0.70119         2.16549         1.67875         0.00000
+         0.27717         6.09273         0.70484         2.15430         1.64518         0.00000
+         0.27899         6.12622         0.70947         2.14023         1.60371         0.00000
+         0.28010         6.14674         0.71229         2.13174         1.57908         0.00000
+         0.28160         6.17461         0.71611         2.12037         1.54656         0.00000
+         0.28468         6.23220         0.72394         2.09745         1.48255         0.00000
+         0.28626         6.26195         0.72795         2.08589         1.45107         0.00000
+         0.28786         6.29237         0.73203         2.07427         1.41993         0.00000
+         0.28949         6.32349         0.73618         2.06258         1.38915         0.00000
+         0.29157         6.36339         0.74146         2.04788         1.35115         0.00000
+         0.29284         6.38789         0.74469         2.03901         1.32862         0.00000
+         0.29499         6.42968         0.75016         2.02414         1.29150         0.00000
+         0.29630         6.45535         0.75350         2.01516         1.26948         0.00000
+         0.29808         6.49030         0.75803         2.00313         1.24044         0.00000
+         0.29990         6.52610         0.76263         1.99103         1.21174         0.00000
+         0.30174         6.56279         0.76733         1.97885         1.18339         0.00000
+         0.30362         6.60040         0.77211         1.96659         1.15538         0.00000
+         0.30602         6.64875         0.77821         1.95117         1.12087         0.00000
+         0.30749         6.67850         0.78195         1.94186         1.10042         0.00000
+         0.30948         6.71907         0.78701         1.92937         1.07346         0.00000
+         0.31151         6.76071         0.79217         1.91680         1.04685         0.00000
+         0.31358         6.80346         0.79743         1.90415         1.02058         0.00000
+         0.31569         6.84737         0.80280         1.89141         0.99467         0.00000
+         0.31785         6.89248         0.80828         1.87859         0.96910         0.00000
+         0.32004         6.93884         0.81387         1.86568         0.94388         0.00000
+         0.32286         6.99864         0.82103         1.84941         0.91284         0.00000
+         0.32458         7.03554         0.82542         1.83958         0.89448         0.00000
+         0.32693         7.08599         0.83138         1.82639         0.87031         0.00000
+         0.32932         7.13793         0.83747         1.81311         0.84648         0.00000
+         0.33177         7.19141         0.84370         1.79973         0.82300         0.00000
+         0.33428         7.24652         0.85006         1.78625         0.79986         0.00000
+         0.33684         7.30332         0.85658         1.77266         0.77708         0.00000
+         0.33946         7.36190         0.86324         1.75898         0.75464         0.00000
+         0.34282         7.43774         0.87180         1.74171         0.72708         0.00000
+         0.34489         7.48472         0.87706         1.73127         0.71081         0.00000
+         0.34771         7.54915         0.88422         1.71726         0.68942         0.00000
+         0.35355         7.68456         0.89908         1.68887         0.64767         0.00000
+         0.35659         7.75577         0.90680         1.67450         0.62732         0.00000
+         0.35970         7.82948         0.91472         1.66000         0.60732         0.00000
+         0.36290         7.90582         0.92285         1.64537         0.58766         0.00000
+         0.36702         8.00517         0.93332         1.62690         0.56359         0.00000
+         0.36956         8.06699         0.93978         1.61572         0.54940         0.00000
+         0.37303         8.15213         0.94861         1.60069         0.53079         0.00000
+         0.37660         8.24055         0.95768         1.58552         0.51253         0.00000
+         0.38027         8.33243         0.96703         1.57020         0.49461         0.00000
+         0.38405         8.42799         0.97665         1.55473         0.47704         0.00000
+         0.38795         8.52746         0.98656         1.53910         0.45982         0.00000
+         0.39197         8.63106         0.99679         1.52332         0.44295         0.00000
+         0.39718         8.76680         1.01003         1.50335         0.42235         0.00000
+         0.40040         8.85179         1.01823         1.49124         0.41025         0.00000
+         0.40483         8.96951         1.02948         1.47495         0.39442         0.00000
+         0.40596         8.99976         1.03235         1.47084         0.39052         0.00000
+         0.40940         9.09258         1.04111         1.45847         0.37894         0.00000
+         0.41414         9.22137         1.05315         1.44180         0.36381         0.00000
+         0.41535         9.25451         1.05622         1.43760         0.36008         0.00000
+         0.41904         9.35630         1.06561         1.42493         0.34903         0.00000
+         0.42412         9.49781         1.07853         1.40787         0.33459         0.00000
+         0.42542         9.53427         1.08183         1.40357         0.33104         0.00000
+         0.42939         9.64639         1.09193         1.39059         0.32050         0.00000
+         0.43626         9.84291         1.10940         1.36869         0.30338         0.00000
+         0.44054         9.96702         1.12029         1.35538         0.29337         0.00000
+         0.44797        10.18514         1.13919         1.33290         0.27712         0.00000
+         0.45261        10.32328         1.15099         1.31923         0.26763         0.00000
+         0.45903        10.51668         1.16732         1.30078         0.25528         0.00000
+         0.46068        10.56677         1.17151         1.29613         0.25225         0.00000
+         0.46573        10.72145         1.18436         1.28206         0.24328         0.00000
+         0.47274        10.93863         1.20217         1.26307         0.23162         0.00000
+         0.47454        10.99500         1.20675         1.25827         0.22876         0.00000
+         0.48007        11.16939         1.22081         1.24378         0.22032         0.00000
+         0.48973        11.47894         1.24538         1.21925         0.20667         0.00000
+         0.49581        11.67706         1.26085         1.20429         0.19875         0.00000
+         0.50429        11.95715         1.28240         1.18405         0.18849         0.00000
+         0.50648        12.03022         1.28797         1.17893         0.18598         0.00000
+         0.52263        12.57957         1.32905         1.14249         0.16901         0.00000
+         0.52507        12.66392         1.33525         1.13719         0.16667         0.00000
+         0.53259        12.92670         1.35437         1.12113         0.15979         0.00000
+         0.54587        13.40005         1.38815         1.09385         0.14875         0.00000
+         0.55433        13.70772         1.40967         1.07715         0.14240         0.00000
+         0.56936        14.26560         1.44788         1.04872         0.13223         0.00000
+         0.57898        14.63075         1.47235         1.03129         0.12639         0.00000
+         0.59261        15.15820         1.50700         1.00758         0.11891         0.00000
+         0.59617        15.29800         1.51605         1.00156         0.11710         0.00000
+         0.60724        15.73839         1.54422         0.98330         0.11178         0.00000
+         0.62302        16.37965         1.58433         0.95840         0.10500         0.00000
+         0.62716        16.55065         1.59486         0.95207         0.10336         0.00000
+         0.64009        17.09216         1.62775         0.93284         0.09856         0.00000
+         0.65865        17.88850         1.67494         0.90656         0.09248         0.00000
+         0.66354        18.10244         1.68739         0.89986         0.09101         0.00000
+         0.67892        18.78438         1.72649         0.87949         0.08674         0.00000
+         0.70710        20.07505         1.79816         0.84443         0.08005         0.00000
+         0.72579        20.96010         1.84569         0.82269         0.07630         0.00000
+         0.76054        22.66653         1.93405         0.78510         0.07049         0.00000
+         0.78395        23.86104         1.99358         0.76166         0.06726         0.00000
+         0.81881        25.70710         2.08222         0.72923         0.06326         0.00000
+         0.82827        26.22228         2.10630         0.72090         0.06231         0.00000
+         0.85877        27.92237         2.18385         0.69530         0.05960         0.00000
+         0.90522        30.62993         2.30198         0.65962         0.05630         0.00000
+         0.91806        31.40351         2.33464         0.65039         0.05553         0.00000
+         0.96013        34.01437         2.44162         0.62189         0.05334         0.00000
+         1.04526        39.65510         2.65810         0.57124         0.05013         0.00000
+         1.10867        44.16769         2.81934         0.53857         0.04847         0.00000
+         1.24604        54.85540         3.16867         0.47920         0.04613         0.00000
+         1.35784        64.47433         3.45298         0.43974         0.04499         0.00000
+         1.56789        84.78098         3.98715         0.38083         0.04378         0.00000
+         1.63761        92.16521         4.16445         0.36462         0.04353         0.00000
+         1.92027       125.39427         4.88325         0.31095         0.04291         0.00000
+         3.13579       328.46072         7.97431         0.19041         0.04231         0.00000
+NPOINTS   112   <- Remove this line and put NPOINTS in the item LIST_SIG_GAM_ALF_BET
+END
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/TOF_irf_ShapePar.irf b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/TOF_irf_ShapePar.irf
new file mode 100644
index 000000000..e874eec60
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/TOF_irf_ShapePar.irf
@@ -0,0 +1,19 @@
+  Instrumental Resolution Parameters for TOF (Peak-Shape parameters) from:   Backscattering Bank (2theta= 144.845)  Si- Argonne
+! To be used with functions NPROF=9 in FullProf (Res=5)
+! If shape parameters are null they have to be given manually
+! It is supposed that the instrumental profile parameters are those of Phase # 1
+! ----------------------------------------------------  Bank 1
+!  Type of profile function: back-to-back expon * pseudo-Voigt
+NPROF   9
+!       Tof-min(us)       step      Tof-max(us)
+TOFRG    2000.00000       5.00000   29995.00000
+!             Dtt1              Dtt2       Dtt_1overD         Zero
+D2TOF      7476.91016        -1.54000         0.00000        -9.18766
+!      TOF-2Theta of the bank
+TWOTH     144.845
+!         Sigma-2_i     Sigma-1_i     Sigma-0_i     Sigma-Q_i
+SIGMA        0.0000       33.0419        3.5544        0.0000
+!         Gamma-2_i     Gamma-1_i     Gamma-0_i
+GAMMA        0.0000        2.5430        0.0000
+!           alph0_i       beta0_i       alph1_i       beta1_i       alphQ_i       betaQ_i
+ALFBE      0.000000      0.042210      0.597100      0.009460      0.000000      0.000000
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.fou b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.fou
index c13041f6a..0591c45e2 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.fou
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.fou
@@ -12,16 +12,16 @@
   18   6   6    0.00    0.09
   15  11   7    0.00    0.02
   15  13   1    0.00    0.02
-  19   5   3    0.00    0.02
   17   9   5    0.00    0.02
+  19   5   3    0.00    0.02
   14  14   0    0.43    0.04
   16  10   6    0.43    0.01
   18   8   2    0.43    0.01
   12  12  10    0.00    0.14
+  13  13   7    0.28    0.05
   15   9   9    0.28    0.05
   17   7   7    0.28    0.05
   19   5   1    0.28    0.03
-  13  13   7    0.28    0.05
   16   8   8    0.75    0.11
   17   9   3    0.27    0.04
   19   3   3    0.27    0.07
@@ -34,9 +34,9 @@
   19   3   1    0.61    0.02
   18   6   2    0.00    0.13
   11  11  11    0.51    0.08
+  19   1   1    0.51    0.04
   13  13   5    0.51    0.04
   17   7   5    0.51    0.02
-  19   1   1    0.51    0.04
   14  10   8    0.84    0.00
   16  10   2    0.84    0.00
   18   6   0    0.84    0.01
@@ -49,13 +49,13 @@
   13  13   3    0.53    0.02
   15  11   1    0.53    0.01
   17   7   3    0.53    0.01
+  12  10  10    0.79    0.01
   14  12   2    0.79    0.00
   18   4   2    0.79    0.00
-  12  10  10    0.79    0.01
   13  11   7    0.58    0.01
+  13  13   1    0.58    0.01
   17   5   5    0.58    0.01
   17   7   1    0.58    0.01
-  13  13   1    0.58    0.01
   16   8   4    0.80    0.01
   14  10   6    0.00    0.08
   18   2   2    0.00    0.12
@@ -70,8 +70,8 @@
   15   7   7    0.00    0.02
   17   5   3    0.00    0.01
   16   8   0    0.44    0.03
-  15   9   3    0.45    0.00
   13  11   5    0.45    0.00
+  15   9   3    0.45    0.00
   17   5   1    0.45    0.00
   14  10   4    0.89    0.00
   12  10   8    0.00    0.07
@@ -82,16 +82,16 @@
   10  10  10    0.00    0.08
   14  10   2    0.00    0.03
   13   9   7    0.72    0.00
+  17   3   1    0.72    0.00
   13  11   3    0.72    0.00
   15   7   5    0.72    0.00
-  17   3   1    0.72    0.00
   14   8   6    1.17    0.00
   14  10   0    1.17    0.00
   16   6   2    1.17    0.00
   12  12   2    0.00    0.07
+  17   1   1    0.91    0.01
   11  11   7    0.91    0.01
   13  11   1    0.91    0.00
-  17   1   1    0.91    0.01
   12  12   0    1.29    0.01
   16   4   4    1.29    0.01
   11   9   9    0.84    0.01
@@ -100,8 +100,8 @@
   14   8   4    0.00    0.04
   16   4   2    0.00    0.04
   13   9   5    0.79    0.00
-  15   5   5    0.79    0.00
   15   7   1    0.79    0.00
+  15   5   5    0.79    0.00
   12   8   8    1.29    0.00
   16   4   0    1.29    0.00
   14   6   6    0.00    0.09
@@ -111,20 +111,20 @@
   14   8   2    1.18    0.00
   16   2   2    1.18    0.00
   12  10   4    0.00    0.04
-  15   5   3    0.89    0.00
   13   9   3    0.89    0.00
+  15   5   3    0.89    0.00
   16   0   0    1.62    0.09
   11   9   7    0.81    0.00
   11  11   3    0.81    0.00
   13   9   1    0.81    0.00
   15   5   1    0.81    0.00
-  14   6   4    1.29    0.00
   12  10   2    1.29    0.00
+  14   6   4    1.29    0.00
   12   8   6    0.00    0.03
-  11  11   1    0.87    0.00
-  15   3   3    0.87    0.00
    9   9   9    0.87    0.00
+  11  11   1    0.87    0.00
   13   7   5    0.87    0.00
+  15   3   3    0.87    0.00
   10  10   6    0.00    0.10
   14   6   2    0.00    0.07
   15   3   1    0.48    0.00
@@ -135,23 +135,23 @@
   13   7   3    0.88    0.00
   15   1   1    0.88    0.00
   12   8   4    1.55    0.00
-  11   7   7    1.04    0.00
   13   5   5    1.04    0.00
+  11   7   7    1.04    0.00
   13   7   1    1.04    0.00
   10  10   4    1.52    0.00
-  12   6   6    1.52    0.00
   14   4   2    1.52    0.00
+  12   6   6    1.52    0.00
   12   8   2    0.00    0.03
-   9   9   7    1.15    0.00
-  11   9   3    1.15    0.00
+   9   9   7    1.16    0.00
+  11   9   3    1.16    0.00
   12   8   0    1.67    0.00
   10  10   2    0.00    0.04
   14   2   2    0.00    0.04
   11   9   1    1.02    0.00
   13   5   3    1.02    0.00
-  10   8   6    1.53    0.00
   10  10   0    1.53    0.00
   14   2   0    1.53    0.00
+  10   8   6    1.53    0.00
   12   6   4    0.00    0.02
   11   7   5    1.01    0.00
   13   5   1    1.01    0.00
@@ -176,15 +176,15 @@
   12   4   0    1.57    0.00
    9   7   5    1.21    0.00
   11   5   3    1.21    0.00
-  10   6   4    1.76    0.00
   12   2   2    1.76    0.00
+  10   6   4    1.76    0.00
    7   7   7    1.20    0.00
   11   5   1    1.20    0.00
    8   8   4    1.71    0.00
   12   0   0    1.71    0.00
   10   6   2    0.00    0.02
-  11   3   3    1.24    0.00
    9   7   3    1.24    0.00
+  11   3   3    1.24    0.00
    8   6   6    1.82    0.00
   10   6   0    1.82    0.00
    8   8   2    0.00    0.02
@@ -198,8 +198,8 @@
   10   4   2    1.87    0.00
    8   6   4    0.00    0.02
    9   5   3    1.21    0.00
-  10   2   2    0.00    0.02
    6   6   6    0.00    0.03
+  10   2   2    0.00    0.02
    7   7   3    1.42    0.00
    9   5   1    1.42    0.00
    8   6   2    2.13    0.00
@@ -234,8 +234,8 @@
    4   4   2    0.00    0.01
    5   3   1    2.02    0.00
    4   4   0    2.95    0.00
-   5   1   1    2.08    0.00
    3   3   3    2.08    0.00
+   5   1   1    2.08    0.00
    4   2   2    2.99    0.00
    3   3   1    2.14    0.00
    4   0   0    3.06    0.00
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.hkl b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.hkl
index 0cee85e02..6e2dd1f5d 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.hkl
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.hkl
@@ -14,55 +14,55 @@
   1  18   6   6    24  0.272935  2040.712     6.148      0.0      0.0      0.0
   1  15  11   7    48  0.273281  2043.294     6.151      0.0     16.3    -16.3
   1  15  13   1    48  0.273280  2043.294     6.151      0.0     16.3    -16.3
-  1  19   5   3    48  0.273281  2043.294     6.151      0.0     16.3    -16.3
   1  17   9   5    48  0.273281  2043.294     6.151      0.0     16.3    -16.3
+  1  19   5   3    48  0.273281  2043.294     6.151      0.0     16.3    -16.3
   1  14  14   0    12  0.274324  2051.097     6.162      4.7      8.4     -3.7
   1  16  10   6    48  0.274324  2051.097     6.162     18.9     33.6    -14.7
   1  18   8   2    48  0.274324  2051.097     6.162     18.9     33.6    -14.7
   1  12  12  10    24  0.275735  2061.643     6.176      0.0      0.0      0.0
-  1  15   9   9    24  0.276091  2064.305     6.179      4.0      9.2     -5.2
-  1  17   7   7    24  0.276091  2064.305     6.179      4.0      9.2     -5.2
-  1  19   5   1    48  0.276091  2064.305     6.179      8.0     18.3    -10.3
-  1  13  13   7    24  0.276091  2064.305     6.179      4.0      9.2     -5.2
-  1  16   8   8    24  0.277167  2072.353     6.190     29.4     18.8     10.6
+  1  13  13   7    24  0.276091  2064.305     6.180      4.0      9.2     -5.1
+  1  15   9   9    24  0.276091  2064.305     6.180      4.0      9.2     -5.1
+  1  17   7   7    24  0.276091  2064.305     6.180      4.0      9.2     -5.1
+  1  19   5   1    48  0.276091  2064.305     6.180      8.0     18.3    -10.3
+  1  16   8   8    24  0.277167  2072.353     6.190     29.5     18.8     10.7
   1  17   9   3    48  0.278989  2085.978     6.209      7.9     20.2    -12.3
   1  19   3   3    24  0.278989  2085.978     6.209      4.0     10.1     -6.1
-  1  14  12   6    48  0.280100  2094.283     6.220     39.4     42.8     -3.3
-  1  18   6   4    48  0.280100  2094.283     6.220     39.4     42.8     -3.3
+  1  14  12   6    48  0.280100  2094.283     6.220     39.5     42.8     -3.3
+  1  18   6   4    48  0.280100  2094.283     6.220     39.5     42.8     -3.3
   1  16  10   4    48  0.281602  2105.513     6.235      0.0      0.0      0.0
-  1  13  11   9    48  0.281981  2108.348     6.239     42.3     22.9     19.4
-  1  15  11   5    48  0.281981  2108.348     6.239     42.3     22.9     19.4
-  1  17   9   1    48  0.281981  2108.348     6.239     42.3     22.9     19.4
-  1  19   3   1    48  0.281981  2108.348     6.239     42.3     22.9     19.4
-  1  18   6   2    48  0.284680  2128.524     6.267      0.0      0.0      0.0
+  1  13  11   9    48  0.281981  2108.349     6.239     42.3     22.9     19.4
+  1  15  11   5    48  0.281981  2108.349     6.239     42.3     22.9     19.4
+  1  17   9   1    48  0.281981  2108.349     6.239     42.3     22.9     19.4
+  1  19   3   1    48  0.281981  2108.349     6.239     42.3     22.9     19.4
+  1  18   6   2    48  0.284680  2128.525     6.267      0.0      0.0      0.0
   1  11  11  11     8  0.285072  2131.454     6.271      5.0      4.2      0.8
-  1  13  13   5    24  0.285072  2131.454     6.271     15.0     12.7      2.3
-  1  17   7   5    48  0.285072  2131.454     6.271     30.0     25.3      4.6
   1  19   1   1    24  0.285072  2131.454     6.271     15.0     12.7      2.3
-  1  14  10   8    48  0.286257  2140.317     6.283     84.7     53.4     31.4
-  1  16  10   2    48  0.286257  2140.317     6.283     84.7     53.4     31.4
+  1  13  13   5    24  0.285072  2131.454     6.271     15.0     12.7      2.3
+  1  17   7   5    48  0.285072  2131.454     6.271     30.0     25.3      4.7
+  1  14  10   8    48  0.286257  2140.317     6.283     84.8     53.4     31.4
+  1  16  10   2    48  0.286257  2140.317     6.283     84.8     53.4     31.4
   1  18   6   0    24  0.286257  2140.317     6.283     42.4     26.7     15.7
-  1  14  12   4    48  0.287861  2152.308     6.299      0.0      0.0      0.0
-  1  16   8   6    48  0.287861  2152.308     6.299      0.0      0.0      0.0
-  1  18   4   4    24  0.287861  2152.308     6.299      0.0      0.0      0.0
+  1  14  12   4    48  0.287861  2152.308     6.300      0.0      0.0      0.0
+  1  16   8   6    48  0.287861  2152.308     6.300      0.0      0.0      0.0
+  1  18   4   4    24  0.287861  2152.308     6.300      0.0      0.0      0.0
   1  15   9   7    48  0.288266  2155.337     6.304     58.4     28.7     29.7
   1  15  11   3    48  0.288266  2155.337     6.304     58.4     28.7     29.7
   1  12  12   8    24  0.289492  2164.502     6.316     69.0     30.1     38.8
   1  13  13   3    24  0.291570  2180.041     6.338     18.2     16.2      2.0
   1  15  11   1    48  0.291570  2180.041     6.338     36.4     32.3      4.1
   1  17   7   3    48  0.291570  2180.041     6.338     36.4     32.3      4.1
+  1  12  10  10    24  0.292838  2189.526     6.351     41.0     33.9      7.2
   1  14  12   2    48  0.292838  2189.526     6.351     82.1     67.7     14.3
   1  18   4   2    48  0.292838  2189.526     6.351     82.1     67.7     14.3
-  1  12  10  10    24  0.292838  2189.526     6.351     41.0     33.9      7.2
-  1  13  11   7    48  0.294990  2205.614     6.373     44.9     36.2      8.7
-  1  17   5   5    24  0.294990  2205.614     6.373     22.5     18.1      4.4
-  1  17   7   1    48  0.294990  2205.614     6.373     44.9     36.2      8.7
+  1  13  11   7    48  0.294990  2205.614     6.373     44.9     36.2      8.8
   1  13  13   1    24  0.294990  2205.614     6.373     22.5     18.1      4.4
-  1  16   8   4    48  0.296304  2215.438     6.387     86.9     75.7     11.2
+  1  17   5   5    24  0.294990  2205.614     6.373     22.5     18.1      4.4
+  1  17   7   1    48  0.294990  2205.614     6.373     44.9     36.2      8.8
+  1  16   8   4    48  0.296304  2215.438     6.387     87.0     75.7     11.2
   1  14  10   6    48  0.298084  2228.745     6.406      0.0      0.0      0.0
   1  18   2   2    24  0.298084  2228.745     6.406      0.0      0.0      0.0
-  1  13   9   9    24  0.298534  2232.109     6.410     15.1     20.3     -5.2
-  1  15   9   5    48  0.298534  2232.109     6.410     30.2     40.6    -10.4
+  1  13   9   9    24  0.298534  2232.109     6.411     15.1     20.3     -5.2
+  1  15   9   5    48  0.298534  2232.109     6.411     30.2     40.6    -10.4
   1  16   6   6    24  0.299896  2242.293     6.425     18.3     42.5    -24.2
   1  18   2   0    24  0.299896  2242.293     6.425     18.3     42.5    -24.2
   1  12  12   6    24  0.301741  2256.092     6.444      0.0      0.0      0.0
@@ -71,178 +71,178 @@
   1  11  11   9    24  0.302208  2259.582     6.449      0.0     23.1    -23.1
   1  15   7   7    24  0.302208  2259.582     6.449      0.0     23.1    -23.1
   1  17   5   3    48  0.302208  2259.582     6.449      0.0     46.2    -46.2
-  1  16   8   0    24  0.303621  2270.149     6.464     14.8     48.2    -33.4
+  1  16   8   0    24  0.303621  2270.149     6.464     14.9     48.2    -33.4
+  1  13  11   5    48  0.306022  2288.095     6.489     31.9     52.0    -20.1
   1  15   9   3    48  0.306021  2288.095     6.489     31.9     52.0    -20.1
-  1  13  11   5    48  0.306021  2288.095     6.489     31.9     52.0    -20.1
   1  17   5   1    48  0.306021  2288.095     6.489     31.9     52.0    -20.1
-  1  14  10   4    48  0.307489  2299.069     6.505    125.1    109.3     15.8
+  1  14  10   4    48  0.307489  2299.069     6.505    125.2    109.3     15.9
   1  12  10   8    48  0.309479  2313.950     6.526      0.0      0.0      0.0
   1  16   6   4    48  0.309479  2313.950     6.526      0.0      0.0      0.0
   1  15   9   1    48  0.309983  2317.716     6.532     65.7     58.7      7.0
-  1  17   3   3    24  0.309983  2317.716     6.532     32.8     29.3      3.5
-  1  12  12   4    24  0.311509  2329.124     6.548    111.9     61.8     50.1
+  1  17   3   3    24  0.309983  2317.716     6.532     32.9     29.3      3.5
+  1  12  12   4    24  0.311509  2329.124     6.548    112.0     61.8     50.2
   1  10  10  10     8  0.313579  2344.600     6.570      0.0      0.0      0.0
   1  14  10   2    48  0.313579  2344.600     6.570      0.0      0.0      0.0
   1  13   9   7    48  0.314103  2348.517     6.576     89.1     66.7     22.5
+  1  17   3   1    48  0.314103  2348.517     6.576     89.1     66.7     22.5
   1  13  11   3    48  0.314103  2348.517     6.576     89.1     66.7     22.5
   1  15   7   5    48  0.314103  2348.517     6.576     89.1     66.7     22.5
-  1  17   3   1    48  0.314103  2348.517     6.576     89.1     66.7     22.5
-  1  14   8   6    48  0.315690  2360.388     6.593    243.6    139.2    104.4
-  1  14  10   0    24  0.315690  2360.388     6.593    121.8     69.6     52.2
-  1  16   6   2    48  0.315690  2360.388     6.593    243.6    139.2    104.4
+  1  14   8   6    48  0.315690  2360.389     6.593    243.6    139.3    104.4
+  1  14  10   0    24  0.315690  2360.389     6.593    121.8     69.6     52.2
+  1  16   6   2    48  0.315690  2360.389     6.593    243.6    139.3    104.4
   1  12  12   2    24  0.317845  2376.501     6.616      0.0      0.0      0.0
+  1  17   1   1    24  0.318391  2380.580     6.622     76.1     37.6     38.5
   1  11  11   7    24  0.318391  2380.580     6.622     76.1     37.6     38.5
   1  13  11   1    48  0.318391  2380.580     6.622    152.3     75.2     77.0
-  1  17   1   1    24  0.318391  2380.580     6.622     76.1     37.6     38.5
   1  12  12   0    12  0.320045  2392.947     6.640     77.6     39.5     38.1
-  1  16   4   4    24  0.320045  2392.947     6.640    155.2     79.0     76.1
-  1  11   9   9    24  0.322860  2413.994     6.670     67.5     42.9     24.6
-  1  15   7   3    48  0.322860  2413.994     6.670    135.0     85.8     49.1
-  1  12  10   6    48  0.324585  2426.891     6.689    324.0    178.8    145.2
+  1  16   4   4    24  0.320045  2392.947     6.640    155.2     79.0     76.2
+  1  11   9   9    24  0.322860  2413.993     6.670     67.5     42.9     24.6
+  1  15   7   3    48  0.322860  2413.994     6.670    135.0     85.8     49.2
+  1  12  10   6    48  0.324585  2426.891     6.689    324.1    178.8    145.2
   1  14   8   4    48  0.326928  2444.414     6.715      0.0      0.0      0.0
   1  16   4   2    48  0.326928  2444.414     6.715      0.0      0.0      0.0
-  1  13   9   5    48  0.327522  2448.855     6.721    128.5     97.5     31.0
-  1  15   5   5    24  0.327522  2448.854     6.721     64.3     48.8     15.5
-  1  15   7   1    48  0.327522  2448.854     6.721    128.5     97.5     31.0
-  1  12   8   8    24  0.329324  2462.322     6.741    175.4    101.9     73.5
-  1  16   4   0    24  0.329324  2462.322     6.741    175.4    101.9     73.5
-  1  14   6   6    24  0.331772  2480.630     6.768      0.0      0.0      0.0
-  1  11  11   5    24  0.332393  2485.271     6.774     87.7     55.4     32.3
-  1  13   7   7    24  0.332393  2485.271     6.774     87.7     55.4     32.3
+  1  13   9   5    48  0.327522  2448.854     6.721    128.5     97.6     31.0
+  1  15   7   1    48  0.327522  2448.854     6.721    128.5     97.6     31.0
+  1  15   5   5    24  0.327522  2448.855     6.721     64.3     48.8     15.5
+  1  12   8   8    24  0.329324  2462.323     6.741    175.4    101.9     73.5
+  1  16   4   0    24  0.329324  2462.323     6.741    175.4    101.9     73.5
+  1  14   6   6    24  0.331772  2480.629     6.768      0.0      0.0      0.0
+  1  11  11   5    24  0.332393  2485.271     6.775     87.7     55.4     32.3
+  1  13   7   7    24  0.332393  2485.271     6.775     87.7     55.4     32.3
   1  10  10   8    24  0.334276  2499.352     6.795    155.1    116.7     38.4
-  1  14   8   2    48  0.334276  2499.352     6.795    310.1    233.4     76.8
+  1  14   8   2    48  0.334276  2499.352     6.795    310.2    233.4     76.8
   1  16   2   2    24  0.334276  2499.352     6.795    155.1    116.7     38.4
   1  12  10   4    48  0.336838  2518.504     6.824      0.0      0.0      0.0
-  1  15   5   3    48  0.337487  2523.361     6.831    182.7    126.6     56.1
   1  13   9   3    48  0.337487  2523.361     6.831    182.7    126.6     56.1
-  1  16   0   0     6  0.339459  2538.104     6.853     77.9     33.2     44.7
+  1  15   5   3    48  0.337487  2523.362     6.831    182.7    126.6     56.1
+  1  16   0   0     6  0.339459  2538.104     6.853     78.0     33.2     44.7
   1  11   9   7    48  0.342823  2563.259     6.890    162.5    144.7     17.8
   1  11  11   3    24  0.342823  2563.259     6.890     81.3     72.3      8.9
   1  13   9   1    48  0.342823  2563.259     6.890    162.5    144.7     17.8
   1  15   5   1    48  0.342823  2563.259     6.890    162.5    144.7     17.8
-  1  14   6   4    48  0.344891  2578.716     6.913    417.6    304.6    112.9
-  1  12  10   2    48  0.344891  2578.716     6.913    417.6    304.6    112.9
+  1  12  10   2    48  0.344891  2578.716     6.913    417.6    304.7    112.9
+  1  14   6   4    48  0.344891  2578.716     6.913    417.6    304.7    112.9
   1  12   8   6    48  0.347706  2599.767     6.945      0.0      0.0      0.0
+  1   9   9   9     8  0.348421  2605.111     6.953     32.9     27.6      5.3
   1  11  11   1    24  0.348421  2605.111     6.953     98.6     82.8     15.8
+  1  13   7   5    48  0.348421  2605.111     6.953    197.2    165.6     31.7
   1  15   3   3    24  0.348421  2605.111     6.953     98.6     82.8     15.8
-  1   9   9   9     8  0.348421  2605.111     6.953     32.9     27.6      5.3
-  1  13   7   5    48  0.348421  2605.111     6.953    197.2    165.5     31.6
   1  10  10   6    24  0.353550  2643.463     7.011      0.0      0.0      0.0
   1  14   6   2    48  0.353550  2643.463     7.011      0.0      0.0      0.0
-  1  15   3   1    48  0.354302  2649.082     7.019     65.1    190.3   -125.3
-  1  14   6   0    24  0.356585  2666.155     7.045    190.4    199.8     -9.4
+  1  15   3   1    48  0.354302  2649.082     7.019     65.2    190.4   -125.2
+  1  14   6   0    24  0.356585  2666.155     7.045    190.5    199.8     -9.3
   1  10   8   8    24  0.359699  2689.440     7.080      0.0      0.0      0.0
   1  14   4   4    24  0.359699  2689.440     7.080      0.0      0.0      0.0
-  1  11   9   5    48  0.360491  2695.357     7.089    234.2    218.5     15.7
-  1  13   7   3    48  0.360491  2695.357     7.089    234.2    218.5     15.7
-  1  15   1   1    24  0.360491  2695.357     7.089    117.1    109.3      7.8
-  1  12   8   4    48  0.362897  2713.347     7.117    740.6    461.5    279.1
-  1  11   7   7    24  0.367016  2744.146     7.164    175.3    126.2     49.1
-  1  13   5   5    24  0.367016  2744.146     7.164    175.3    126.2     49.1
+  1  11   9   5    48  0.360491  2695.358     7.089    234.2    218.5     15.7
+  1  13   7   3    48  0.360491  2695.358     7.089    234.2    218.5     15.7
+  1  15   1   1    24  0.360491  2695.358     7.089    117.1    109.3      7.8
+  1  12   8   4    48  0.362897  2713.347     7.117    740.7    461.6    279.1
+  1  13   5   5    24  0.367016  2744.146     7.164    175.3    126.3     49.1
+  1  11   7   7    24  0.367016  2744.146     7.164    175.3    126.3     49.1
   1  13   7   1    48  0.367016  2744.146     7.164    350.6    252.5     98.1
   1  10  10   4    24  0.369556  2763.137     7.193    381.9    266.4    115.5
+  1  14   4   2    48  0.369556  2763.137     7.193    763.9    532.8    231.0
   1  12   6   6    24  0.369556  2763.137     7.193    381.9    266.4    115.5
-  1  14   4   2    48  0.369556  2763.137     7.193    763.8    532.8    231.0
   1  12   8   2    48  0.373026  2789.083     7.233      0.0      0.0      0.0
   1   9   9   7    24  0.373909  2795.684     7.243    232.0    145.7     86.3
-  1  11   9   3    48  0.373909  2795.684     7.243    463.9    291.4    172.5
-  1  12   8   0    24  0.376596  2815.773     7.274    501.6    308.0    193.7
+  1  11   9   3    48  0.373909  2795.684     7.243    464.0    291.4    172.5
+  1  12   8   0    24  0.376596  2815.773     7.274    501.7    308.0    193.7
   1  10  10   2    24  0.380270  2843.245     7.317      0.0      0.0      0.0
   1  14   2   2    24  0.380270  2843.245     7.317      0.0      0.0      0.0
-  1  11   9   1    48  0.381205  2850.239     7.328    394.5    338.3     56.3
-  1  13   5   3    48  0.381205  2850.239     7.328    394.6    338.3     56.3
-  1  10   8   6    48  0.384054  2871.536     7.361    906.8    714.9    191.8
+  1  11   9   1    48  0.381206  2850.240     7.328    394.6    338.3     56.3
+  1  13   5   3    48  0.381206  2850.240     7.328    394.6    338.3     56.3
   1  10  10   0    12  0.384054  2871.536     7.361    226.7    178.7     48.0
   1  14   2   0    24  0.384054  2871.536     7.361    453.4    357.5     95.9
-  1  12   6   4    48  0.387953  2900.690     7.406      0.0      0.0      0.0
-  1  11   7   5    48  0.388946  2908.118     7.418    414.9    393.7     21.1
-  1  13   5   1    48  0.388946  2908.118     7.418    414.9    393.7     21.1
-  1   8   8   8     8  0.391973  2930.750     7.454    160.1    138.9     21.3
+  1  10   8   6    48  0.384054  2871.536     7.361    906.8    715.0    191.8
+  1  12   6   4    48  0.387953  2900.690     7.407      0.0      0.0      0.0
+  1  11   7   5    48  0.388947  2908.118     7.418    414.9    393.8     21.2
+  1  13   5   1    48  0.388947  2908.118     7.418    414.9    393.8     21.2
+  1   8   8   8     8  0.391973  2930.750     7.454    160.2    138.9     21.3
   1   9   9   5    24  0.397179  2969.672     7.515     80.8    229.9   -149.1
   1  13   3   3    24  0.397179  2969.672     7.515     80.8    229.9   -149.1
-  1  12   6   2    48  0.400404  2993.784     7.553    825.0    975.7   -150.7
+  1  12   6   2    48  0.400404  2993.784     7.553    825.1    975.8   -150.7
   1  10   8   4    48  0.404828  3026.865     7.606      0.0      0.0      0.0
-  1   9   7   7    24  0.405958  3035.308     7.619    240.6    269.2    -28.6
-  1  11   7   3    48  0.405958  3035.308     7.619    481.1    538.4    -57.2
+  1   9   7   7    24  0.405958  3035.309     7.619    240.6    269.2    -28.6
+  1  11   7   3    48  0.405958  3035.309     7.619    481.2    538.4    -57.2
   1  13   3   1    48  0.405958  3035.309     7.619    481.2    538.4    -57.2
-  1  12   4   4    24  0.409403  3061.068     7.660    625.5    571.6     53.9
-  1  10   6   6    24  0.414136  3096.457     7.717      0.0      0.0      0.0
-  1   9   9   3    24  0.415345  3105.499     7.731    317.4    316.6      0.8
+  1  12   4   4    24  0.409403  3061.068     7.660    625.6    571.6     54.0
+  1  10   6   6    24  0.414136  3096.458     7.717      0.0      0.0      0.0
+  1   9   9   3    24  0.415345  3105.498     7.731    317.4    316.6      0.8
   1  11   5   5    24  0.415345  3105.498     7.731    317.4    316.6      0.8
-  1  11   7   1    48  0.415345  3105.498     7.731    634.7    633.2      1.5
-  1  13   1   1    24  0.415345  3105.499     7.731    317.4    316.6      0.8
-  1  10   8   2    48  0.419037  3133.103     7.776   1493.4   1348.5    145.0
-  1   8   8   6    24  0.424117  3171.081     7.837      0.0      0.0      0.0
+  1  11   7   1    48  0.415345  3105.498     7.731    634.8    633.3      1.5
+  1  13   1   1    24  0.415345  3105.498     7.731    317.4    316.6      0.8
+  1  10   8   2    48  0.419037  3133.103     7.776   1493.6   1348.6    145.0
+  1   8   8   6    24  0.424117  3171.082     7.837      0.0      0.0      0.0
   1  12   4   2    48  0.424117  3171.082     7.837      0.0      0.0      0.0
-  1   9   9   1    24  0.425416  3180.794     7.853    211.5    374.1   -162.7
-  1  12   4   0    24  0.429385  3210.475     7.901    741.1    797.7    -56.6
-  1   9   7   5    48  0.436256  3261.846     7.984    944.7    888.3     56.4
-  1  11   5   3    48  0.436256  3261.846     7.984    944.7    888.3     56.4
-  1  10   6   4    48  0.440540  3293.878     8.037   2069.3   1899.3    170.0
-  1  12   2   2    24  0.440540  3293.878     8.037   1034.7    949.6     85.0
-  1   7   7   7     8  0.447970  3349.428     8.128    171.8    176.9     -5.1
-  1  11   5   1    48  0.447970  3349.428     8.128   1030.9   1061.3    -30.3
-  1   8   8   4    24  0.452612  3384.138     8.185   1095.1   1135.8    -40.7
-  1  12   0   0     6  0.452612  3384.138     8.185    273.8    283.9    -10.2
+  1   9   9   1    24  0.425416  3180.794     7.853    211.6    374.2   -162.6
+  1  12   4   0    24  0.429385  3210.476     7.901    741.2    797.8    -56.5
+  1   9   7   5    48  0.436256  3261.846     7.984    944.8    888.3     56.4
+  1  11   5   3    48  0.436256  3261.846     7.984    944.8    888.3     56.4
+  1  12   2   2    24  0.440540  3293.878     8.037   1034.7    949.7     85.0
+  1  10   6   4    48  0.440540  3293.878     8.037   2069.5   1899.4    170.1
+  1   7   7   7     8  0.447970  3349.428     8.128    171.8    176.9     -5.0
+  1  11   5   1    48  0.447970  3349.428     8.128   1031.0   1061.3    -30.3
+  1   8   8   4    24  0.452612  3384.138     8.185   1095.2   1135.8    -40.6
+  1  12   0   0     6  0.452612  3384.138     8.185    273.8    284.0    -10.2
   1  10   6   2    48  0.459032  3432.143     8.264      0.0      0.0      0.0
-  1  11   3   3    24  0.460680  3444.466     8.285    613.6    637.0    -23.5
-  1   9   7   3    48  0.460680  3444.466     8.285   1227.1   1274.1    -47.0
-  1   8   6   6    24  0.465734  3482.249     8.348   1383.2   1366.5     16.7
-  1  10   6   0    24  0.465734  3482.249     8.348   1383.2   1366.5     16.7
+  1   9   7   3    48  0.460680  3444.467     8.285   1227.2   1274.1    -46.9
+  1  11   3   3    24  0.460680  3444.467     8.285    613.6    637.1    -23.5
+  1   8   6   6    24  0.465734  3482.250     8.348   1383.3   1366.6     16.7
+  1  10   6   0    24  0.465734  3482.250     8.348   1383.3   1366.6     16.7
   1   8   8   2    24  0.472738  3534.617     8.435      0.0      0.0      0.0
   1  10   4   4    24  0.472738  3534.617     8.435      0.0      0.0      0.0
   1   9   5   5    24  0.474539  3548.082     8.457    707.1    770.0    -62.9
-  1   9   7   1    48  0.474539  3548.082     8.457   1414.2   1540.0   -125.8
-  1  11   3   1    48  0.474539  3548.082     8.457   1414.2   1540.0   -125.8
-  1   8   8   0    12  0.480067  3589.421     8.527    519.2    828.3   -309.1
-  1   7   7   5    24  0.489728  3661.649     8.648    617.7    937.3   -319.6
-  1  11   1   1    24  0.489728  3661.649     8.648    617.7    937.3   -319.6
-  1  10   4   2    48  0.495811  3707.137     8.725   3778.6   4045.3   -266.7
+  1   9   7   1    48  0.474539  3548.083     8.457   1414.3   1540.0   -125.7
+  1  11   3   1    48  0.474539  3548.083     8.457   1414.3   1540.0   -125.7
+  1   8   8   0    12  0.480067  3589.421     8.527    519.3    828.3   -309.1
+  1   7   7   5    24  0.489728  3661.650     8.648    617.8    937.3   -319.6
+  1  11   1   1    24  0.489728  3661.650     8.648    617.8    937.3   -319.6
+  1  10   4   2    48  0.495811  3707.137     8.725   3778.9   4045.5   -266.6
   1   8   6   4    48  0.504287  3770.512     8.833      0.0      0.0      0.0
-  1   9   5   3    48  0.506475  3786.870     8.861   1710.5   2302.6   -592.1
-  1  10   2   2    24  0.522631  3907.666     9.067      0.0      0.0      0.0
+  1   9   5   3    48  0.506475  3786.870     8.861   1710.7   2302.7   -592.0
   1   6   6   6     8  0.522631  3907.666     9.067      0.0      0.0      0.0
-  1   7   7   3    24  0.525068  3925.884     9.099   1355.7   1428.1    -72.3
-  1   9   5   1    48  0.525068  3925.884     9.099   2711.4   2856.1   -144.7
-  1   8   6   2    48  0.532587  3982.105     9.195   6513.8   6209.0    304.8
-  1  10   2   0    24  0.532587  3982.105     9.195   3256.9   3104.5    152.4
-  1   7   5   5    24  0.545870  4081.424     9.367   1743.6   1790.9    -47.3
-  1   7   7   1    24  0.545870  4081.424     9.367   1743.6   1790.9    -47.3
-  1   9   3   3    24  0.545870  4081.424     9.367   1743.6   1790.9    -47.3
-  1   8   4   4    24  0.554334  4144.706     9.477   3890.9   3912.3    -21.4
-  1   9   3   1    48  0.569359  4257.049     9.674   4060.8   4551.5   -490.7
-  1   6   6   4    24  0.578983  4329.004     9.800   4498.0   4998.2   -500.2
+  1  10   2   2    24  0.522631  3907.666     9.067      0.0      0.0      0.0
+  1   7   7   3    24  0.525068  3925.884     9.099   1355.8   1428.1    -72.3
+  1   9   5   1    48  0.525068  3925.884     9.099   2711.6   2856.2   -144.6
+  1   8   6   2    48  0.532587  3982.105     9.195   6514.1   6209.2    304.8
+  1  10   2   0    24  0.532587  3982.105     9.195   3257.0   3104.6    152.4
+  1   7   5   5    24  0.545870  4081.424     9.367   1743.7   1791.0    -47.3
+  1   7   7   1    24  0.545870  4081.424     9.367   1743.7   1791.0    -47.3
+  1   9   3   3    24  0.545870  4081.424     9.367   1743.7   1791.0    -47.3
+  1   8   4   4    24  0.554334  4144.706     9.477   3891.1   3912.4    -21.3
+  1   9   3   1    48  0.569359  4257.049     9.674   4061.1   4551.6   -490.6
+  1   6   6   4    24  0.578983  4329.004     9.800   4498.2   4998.3   -500.1
   1   8   4   2    48  0.592608  4430.877     9.980      0.0      0.0      0.0
-  1   7   5   3    48  0.596167  4457.489    10.027   5710.3   5871.9   -161.6
-  1   9   1   1    24  0.596167  4457.489    10.027   2855.2   2935.9    -80.8
-  1   8   4   0    24  0.607243  4540.298    10.174   6080.8   6492.1   -411.3
-  1   6   6   2    24  0.623018  4658.247    10.384      0.0      0.0      0.0
-  1   5   5   5     8  0.627157  4689.199    10.439   1187.6   1287.3    -99.8
-  1   7   5   1    48  0.627157  4689.199    10.439   7125.4   7724.1   -598.7
-  1   6   6   0    12  0.640090  4785.894    10.612   4228.7   4302.4    -73.7
-  1   8   2   2    24  0.640090  4785.894    10.612   8457.4   8604.8   -147.4
+  1   7   5   3    48  0.596167  4457.489    10.027   5710.5   5872.0   -161.5
+  1   9   1   1    24  0.596167  4457.489    10.027   2855.3   2936.0    -80.7
+  1   8   4   0    24  0.607243  4540.298    10.174   6081.1   6492.2   -411.1
+  1   6   6   2    24  0.623018  4658.248    10.384      0.0      0.0      0.0
+  1   5   5   5     8  0.627157  4689.199    10.439   1187.6   1287.4    -99.8
+  1   7   5   1    48  0.627157  4689.199    10.439   7125.7   7724.2   -598.5
+  1   6   6   0    12  0.640090  4785.895    10.612   4228.8   4302.5    -73.6
+  1   8   2   2    24  0.640090  4785.895    10.612   8457.7   8604.9   -147.3
   1   6   4   4    24  0.658647  4924.645    10.862      0.0      0.0      0.0
-  1   7   3   3    24  0.663544  4961.259    10.928   4382.1   5193.8   -811.7
-  1   8   0   0     6  0.678918  5076.207    11.136   3064.5   2922.6    141.9
-  1   5   5   3    24  0.707101  5286.927    11.520   7388.2   7189.0    199.2
-  1   7   3   1    48  0.707101  5286.927    11.520  14776.4  14378.1    398.3
-  1   6   4   2    48  0.725794  5426.693    11.776  33819.9  32768.5   1051.5
-  1   5   5   1    24  0.760540  5686.489    12.254  10675.2  10325.1    350.2
-  1   7   1   1    24  0.760540  5686.489    12.254  10675.2  10325.0    350.2
-  1   4   4   4     8  0.783947  5861.500    12.578   7856.7   7977.3   -120.6
+  1   7   3   3    24  0.663544  4961.259    10.928   4382.4   5193.9   -811.5
+  1   8   0   0     6  0.678918  5076.208    11.136   3064.7   2922.6    142.0
+  1   5   5   3    24  0.707100  5286.927    11.520   7388.4   7189.1    199.3
+  1   7   3   1    48  0.707100  5286.927    11.520  14776.9  14378.2    398.7
+  1   6   4   2    48  0.725794  5426.694    11.776  33820.9  32768.7   1052.1
+  1   5   5   1    24  0.760540  5686.489    12.254  10675.6  10325.1    350.4
+  1   7   1   1    24  0.760540  5686.489    12.254  10675.5  10325.1    350.4
+  1   4   4   4     8  0.783947  5861.500    12.578   7857.0   7977.3   -120.4
   1   6   2   2    24  0.818806  6122.137    13.062      0.0      0.0      0.0
-  1   5   3   3    24  0.828272  6192.915    13.194  16322.2  15591.5    730.7
-  1   6   2   0    24  0.858771  6420.951    13.621  39043.6  36997.3   2046.4
-  1   4   4   2    24  0.905224  6768.276    14.274      0.0      0.0      0.0
-  1   5   3   1    48  0.918064  6864.285    14.456  51532.2  50505.6   1026.6
-  1   4   4   0    12  0.960135  7178.841    15.051  32978.3  31031.4   1946.9
-  1   5   1   1    24  1.045262  7815.333    16.263  46006.3  45563.3    443.0
-  1   3   3   3     8  1.045262  7815.333    16.263  15335.4  15187.8    147.7
-  1   4   2   2    24  1.108668  8289.412    17.172 120208.7 118455.2   1753.5
-  1   3   3   1    24  1.246035  9316.494    19.151  98619.6  98852.0   -232.4
-  1   4   0   0     6  1.357836 10152.414    20.773  70694.7  71599.6   -904.9
-  1   2   2   2     8  1.567894 11722.999    23.836      0.0      0.0      0.0
-  1   3   1   1    24  1.637611 12244.273    24.856 311707.8 316807.9  -5100.1
-  1   2   2   0    12  1.920269 14357.683    29.007 601778.8 615334.8 -13556.0
-  1   1   1   1     8  3.135787 23445.998    46.9861546089.61524861.5  21228.1
+  1   5   3   3    24  0.828272  6192.915    13.194  16322.7  15591.5    731.2
+  1   6   2   0    24  0.858771  6420.951    13.621  39044.7  36997.3   2047.4
+  1   4   4   2    24  0.905224  6768.277    14.274      0.0      0.0      0.0
+  1   5   3   1    48  0.918064  6864.285    14.456  51533.5  50505.4   1028.1
+  1   4   4   0    12  0.960135  7178.842    15.051  32979.2  31031.3   1947.9
+  1   3   3   3     8  1.045262  7815.333    16.263  15335.8  15187.7    148.2
+  1   5   1   1    24  1.045262  7815.333    16.263  46007.5  45563.0    444.5
+  1   4   2   2    24  1.108668  8289.412    17.171 120211.6 118454.3   1757.3
+  1   3   3   1    24  1.246035  9316.495    19.151  98622.0  98851.0   -229.0
+  1   4   0   0     6  1.357836 10152.415    20.772  70696.6  71598.8   -902.3
+  1   2   2   2     8  1.567894 11722.999    23.835      0.0      0.0      0.0
+  1   3   1   1    24  1.637611 12244.273    24.856 311715.5 316803.3  -5087.8
+  1   2   2   0    12  1.920270 14357.684    29.007 601793.4 615324.9 -13531.5
+  1   1   1   1     8  3.135787 23445.998    46.9851546124.21524832.5  21291.8
         
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.out b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.out
index f50cd665e..7dea6d455 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.out
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.out
@@ -1,17 +1,17 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 06/06/2026  Time: 23:10:47.635                              
+    Date: 09/06/2026  Time: 12:42:03.874                              
 
  => PCR file code: arg_si
- => DAT file code: arg_si.dat           -> Relative contribution: 1.0000                                                            
+ => DAT file code: arg_si               -> Relative contribution: 1.0000                                                            
 
  ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
 
@@ -47,7 +47,7 @@
  => Number of cycles:   15
  => Relaxation factors ==>    for coordinates:  1.00
  => for anisotropic temperature factors:  1.00
- => for halfwidth/strain/size parameters:  1.00
+ => for halfwidth/strain/size/further parameters:  1.00
  => for lattice constants and propagation vectors:  1.00
  => EPS-value for convergence:    0.1
 
@@ -56,18 +56,18 @@
    1000.1000   2000.0000
   29999.0000  40000.0000
 
- => Number of Least-Squares parameters varied:    14
+ => Number of Least-Squares parameters varied:     0
 
  =>--------------------------->
  =>------->  PATTERN number:  1
  =>--------------------------->
  => Global parameters and codes ==>
- => Zero-point:    -9.1876  141.0000
+ => Zero-point:    -9.1877    0.0000
  => Background parameters and codes for cosine Fourier series ==>
-  152.74      1.4310      37.243      12.115      19.182      3.3480    
-       21.00       31.00       41.00       61.00       71.00       81.00
+  152.74      1.4290      37.243      12.115      19.181      3.3480    
+        0.00        0.00        0.00        0.00        0.00        0.00
   8.7370      0.0000      0.0000      0.0000      0.0000      0.0000    
-      121.00        0.00        0.00        0.00        0.00        0.00
+        0.00        0.00        0.00        0.00        0.00        0.00
   0.0000      0.0000      0.0000      0.0000      0.0000      0.0000    
         0.00        0.00        0.00        0.00        0.00        0.00
  => D-spacing to T.O.F. coefficient dtt1 and code:   7476.910     0.000
@@ -397,13 +397,13 @@
  => Initial parameters ==>
  Atom    Ntyp                  X         Y         Z         B         occ.         in  fin  Spc  Mult
                              B11       B22       B33       B12       B13       B23
- Si     SI                 0.12500   0.12500   0.12500   0.52451   1.00000           0    0    0    8
-                 Codes:    0.00000   0.00000   0.00000 111.00000   0.00000
+ Si     SI                 0.12500   0.12500   0.12500   0.52448   1.00000           0    0    0    8
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
 
- => IT IS ASSUMED THAT THE FIRST GIVEN SITE IS FULLY OCCUPIED 
-    OR THE FIRST AND SECOND ATOMS ARE IN THE SAME SITE WITH TOTAL FULL OCCUPATION
+ => It is assumed that THE FIRST GIVEN SITE plus all the other atoms 
+    occupying THE SAME POSITION have a total full occupation (no vacancies!)
   (if this is not the case, change the order of atoms to obtain correct values for the content of the unit cell)
-    The given occupation factors have been obtained mutiplying m/M by  24.0000
+    The given occupation factors have been obtained mutiplying m/M by   1.0000
       -> Atom: SI  ,  Chemical element: SI  Atomic Mass:    28.0860
  => The given value of ATZ is     129420.29 the program has calculated:      129420.29
     The value of ATZ given in the input PCR file will be used for quantitative analysis
@@ -415,13 +415,13 @@
 
  =>-------> PROFILE PARAMETERS FOR PATTERN:  1
 
- => Overall scale factor:   0.675115    
+ => Overall scale factor:   0.675085    
  => T.O.F. Extinction parameter:   0.0000
  => Overall temperature factor:      0.00000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:      0.00000    33.04180     3.55410     0.00000
+ => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:      0.00000    33.04190     3.55440     0.00000
  => T.O.F. Isotropic Gaussian strain parameter (G-strain):       0.0000
  => T.O.F. Iso-Gaussian and Aniso-Lor (platelets/needles) Size parameters (G-Size,Ani-LorSiz)  :      0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000     2.54320     0.00000
+ => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000     2.54300     0.00000
  => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz):      0.00000     0.00000
  => Direct cell parameters:    5.4313   5.4313   5.4313  90.0000  90.0000  90.0000
  => Preferred orientation parameters:   0.0000  0.0000
@@ -431,15 +431,15 @@
 
  ==> CODEWORDS FOR PROFILE PARAMETERS of PATTERN#  1
 
- => Codeword -Overall scale factor:   11.0000    
+ => Codeword -Overall scale factor:   0.00000    
  => Codeword  - T.O.F. Extinction parameter:   0.0000
  => Codeword  - Overall temperature factor:      0.00000
- => Codewords - T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:      0.00000    91.00000   131.00000     0.00000
+ => Codewords - T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:      0.00000     0.00000     0.00000     0.00000
  => Codewords - T.O.F. Isotropic Gaussian strain parameter (G-strain):       0.0000
  => Codewords - T.O.F. Iso-Gaussian and Aniso-Lor (platelets/needles) Size parameters (G-Size,Ani-LorSize)  :      0.00000     0.00000
- => Codewords - T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000   101.00000     0.00000
+ => Codewords - T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000     0.00000     0.00000
  => Codewords - T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz):      0.00000     0.00000
- => Codewords - Direct cell parameters:   51.0000  51.0000  51.0000   0.0000   0.0000   0.0000
+ => Codewords - Direct cell parameters:    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
  => Codewords - Preferred orientation parameters:   0.0000  0.0000
  => Codewords - T.O.F. Peak shape parameter alpha0,beta0,alpha1,beta1/kappa,alpha-q,beta-Q:      0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
 => Codewords - Model-dependent Strain parameters s2,s1,s0:      0.00000     0.00000     0.00000
@@ -493,49 +493,30 @@
  => Scattering lengths:
 
  SI     0.4149
-
-     --------------------------------------------------------------
-      SYMBOLIC NAMES AND INITIAL VALUES OF PARAMETERS TO BE VARIED:
-     --------------------------------------------------------------
-
-      ->  Parameter number    1   -> Symbolic Name:                                     Scale_ph1_pat1    0.67511457    
-      ->  Parameter number    2   -> Symbolic Name:                                         Bck_0_pat1     152.73700    
-      ->  Parameter number    3   -> Symbolic Name:                                         Bck_1_pat1     1.4310000    
-      ->  Parameter number    4   -> Symbolic Name:                                         Bck_2_pat1     37.243000    
-      ->  Parameter number    5   -> Symbolic Name:                                    Cell_A_ph1_pat1     5.4313421    
-      ->  Parameter number    6   -> Symbolic Name:                                         Bck_3_pat1     12.115000    
-      ->  Parameter number    7   -> Symbolic Name:                                         Bck_4_pat1     19.181999    
-      ->  Parameter number    8   -> Symbolic Name:                                         Bck_5_pat1     3.3480000    
-      ->  Parameter number    9   -> Symbolic Name:                                     Sig-1_ph1_pat1     33.041801    
-      ->  Parameter number   10   -> Symbolic Name:                                     Gam-1_ph1_pat1     2.5432000    
-      ->  Parameter number   11   -> Symbolic Name:                                        Biso_Si_ph1    0.52451003    
-      ->  Parameter number   12   -> Symbolic Name:                                         Bck_6_pat1     8.7370005    
-      ->  Parameter number   13   -> Symbolic Name:                                     Sig-0_ph1_pat1     3.5541000    
-      ->  Parameter number   14   -> Symbolic Name:                                          Zero_pat1    -9.1876097    
   
  
  => No optimization for routine tasks
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
  => CYCLE No.:    1
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: Standard-Si
+ ------------------------------------------------------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
 
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.52449-0.00002 0.00504  1.00000 0.00000 0.00000
+ Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.52448 0.00000 0.00000  1.00000 0.00000 0.00000
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
- => Overall scale factor       :      0.675098777    -0.000015820     0.002278208
+ => Overall scale factor       :      0.675084710     0.000000000     0.000000000
  => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
  => Overall temperature  factor:     0.000000    0.000000    0.000000
  => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
          0.000000    0.000000    0.000000
-        33.041843    0.000042    0.836443
-         3.554263    0.000163    0.464078
+        33.041901    0.000000    0.000000
+         3.554400    0.000000    0.000000
 
  => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
  => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
@@ -543,7 +524,7 @@
  => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize)  ::      0.00000     0.00000     0.00000
  => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
          0.000000    0.000000    0.000000
-         2.543094   -0.000106    0.093180
+         2.543000    0.000000    0.000000
          0.000000    0.000000    0.000000
 
  => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz): 
@@ -556,9 +537,9 @@
          0.000000    0.000000    0.000000
 
  => Direct cell parameters: 
-        5.431342    0.000000    0.000049
-        5.431342    0.000000    0.000049
-        5.431342    0.000000    0.000049
+        5.431342    0.000000    0.000000
+        5.431342    0.000000    0.000000
+        5.431342    0.000000    0.000000
        90.000000    0.000000    0.000000
        90.000000    0.000000    0.000000
        90.000000    0.000000    0.000000
@@ -580,15 +561,15 @@
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:    -9.1877   -0.0001    0.0691
+ => Zero-point:    -9.1877    0.0000    0.0000
  =>  Cosine Fourier Background Parameters ==>
-       152.74    -0.11682E-03 0.72766    
-       1.4300    -0.10267E-02  1.2722    
-       37.243     0.88336E-04  1.1148    
-       12.115    -0.20184E-03  1.0251    
-       19.181    -0.99885E-03 0.99952    
-       3.3484     0.42959E-03 0.83150    
-       8.7367    -0.29308E-03 0.57882    
+       152.74      0.0000      0.0000    
+       1.4290      0.0000      0.0000    
+       37.243      0.0000      0.0000    
+       12.115      0.0000      0.0000    
+       19.181      0.0000      0.0000    
+       3.3480      0.0000      0.0000    
+       8.7370      0.0000      0.0000    
        0.0000      0.0000      0.0000    
        0.0000      0.0000      0.0000    
        0.0000      0.0000      0.0000    
@@ -607,74 +588,74 @@
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
- => R-Factors:   8.17      5.98     Chi2:  2.67     DW-Stat.:  1.1222   Patt#:  1
- => Expected :            3.66                                1.9221
- => Deviance : 0.278E+05     Dev*:   4.965    
+ => R-Factors:   8.17      5.98     Chi2:  2.66     DW-Stat.:  1.1222   Patt#:  1
+ => Expected :            3.66                                1.9171
+ => Deviance : 0.278E+05     Dev*:   4.952    
  => GoF-index:  1.6         Sqrt(Residual/N)
- => N-P+C:  5586
+ => N-P+C:  5600
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1206E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1491E+05    0.7059E+14
+     0.1206E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1491E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   18.5      11.6      7.12      2.669    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   18.5      11.6      7.13      2.663    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.6519E+06    0.1101E+07
 
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => R-Factors:   4.14      5.14     Chi2:  5.18     DW-Stat.:  1.7451   Patt#:
- => Expected :            2.26                                1.8710
- => Deviance : 0.419E+04     Dev*:   2.262    
+ => R-Factors:   4.14      5.14     Chi2:  5.14     DW-Stat.:  1.7451   Patt#:
+ => Expected :            2.27                                1.8559
+ => Deviance : 0.419E+04     Dev*:   2.245    
  => GoF-index:  2.3         Sqrt(Residual/N)
- => N-P+C:  1852
+ => N-P+C:  1866
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.3762E+05    0.9085E+06    0.9059E+06    0.3634E+07     9589.        0.7059E+14
+     0.3762E+05    0.9085E+06    0.9059E+06    0.3634E+07     9589.         0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   5.94      9.36      4.11      5.177    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   5.94      9.36      4.13      5.139    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.6329E+06    0.1095E+07
 
 
- => Global user-weigthed Chi2 (Bragg contrib.):   5.18    
+ => Global user-weigthed Chi2 (Bragg contrib.):   5.14    
 
  => ---------> Pattern#  1
  => Phase:  1
  =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  10.7    
+ =>    RF-factor     :  12.3    
 
 
-   Standard deviations have to be multiplied by: 1.9644
+   Standard deviations have to be multiplied by: 1.9643
    (correlated residuals) See references:
   -J.F.Berar & P.Lelann, J. Appl. Cryst. 24, 1-5 (1991) 
   -J.F.Berar, Acc. in Pow. Diff. II,NIST Sp.Pub. 846, 63(1992) 
 
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
  => CYCLE No.:    1
  =>  Convergence reached at this CYCLE !!!!
  =>  Parameter shifts set to zero
- ---------------------------------------------------------------------------------------
- => Phase  1 Name: Standard-Si                                                           
- ---------------------------------------------------------------------------------------
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: Standard-Si
+ ------------------------------------------------------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
 
- Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.52449 0.00000 0.00504  1.00000 0.00000 0.00000
+ Si       0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.12500 0.00000 0.00000  0.52448 0.00000 0.00000  1.00000 0.00000 0.00000
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
- => Overall scale factor       :      0.675098777     0.000000000     0.002278208
+ => Overall scale factor       :      0.675084710     0.000000000     0.000000000
  => T.O.F. Extinction parameter:     0.000000    0.000000    0.000000
  => Overall temperature  factor:     0.000000    0.000000    0.000000
  => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
          0.000000    0.000000    0.000000
-        33.041843    0.000000    0.836443
-         3.554263    0.000000    0.464078
+        33.041901    0.000000    0.000000
+         3.554400    0.000000    0.000000
 
  => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000    0.000000
  => T.O.F. Isotropic Gaussian strain parameter (G-strain)::      0.00000     0.00000     0.00000
@@ -682,7 +663,7 @@
  => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize)  ::      0.00000     0.00000     0.00000
  => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
          0.000000    0.000000    0.000000
-         2.543094    0.000000    0.093180
+         2.543000    0.000000    0.000000
          0.000000    0.000000    0.000000
 
  => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz): 
@@ -695,9 +676,9 @@
          0.000000    0.000000    0.000000
 
  => Direct cell parameters: 
-        5.431342    0.000000    0.000049
-        5.431342    0.000000    0.000049
-        5.431342    0.000000    0.000049
+        5.431342    0.000000    0.000000
+        5.431342    0.000000    0.000000
+        5.431342    0.000000    0.000000
        90.000000    0.000000    0.000000
        90.000000    0.000000    0.000000
        90.000000    0.000000    0.000000
@@ -719,15 +700,15 @@
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:    -9.1877    0.0000    0.0691
+ => Zero-point:    -9.1877    0.0000    0.0000
  =>  Cosine Fourier Background Parameters ==>
-       152.74      0.0000     0.72766    
-       1.4300      0.0000      1.2722    
-       37.243      0.0000      1.1148    
-       12.115      0.0000      1.0251    
-       19.181      0.0000     0.99952    
-       3.3484      0.0000     0.83150    
-       8.7367      0.0000     0.57882    
+       152.74      0.0000      0.0000    
+       1.4290      0.0000      0.0000    
+       37.243      0.0000      0.0000    
+       12.115      0.0000      0.0000    
+       19.181      0.0000      0.0000    
+       3.3480      0.0000      0.0000    
+       8.7370      0.0000      0.0000    
        0.0000      0.0000      0.0000    
        0.0000      0.0000      0.0000    
        0.0000      0.0000      0.0000    
@@ -746,343 +727,329 @@
 
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
- => R-Factors:   8.17      5.98     Chi2:  2.67     DW-Stat.:  1.1222   Patt#:  1
- => Expected :            3.66                                1.9221
- => Deviance : 0.278E+05     Dev*:   4.965    
+ => R-Factors:   8.17      5.98     Chi2:  2.66     DW-Stat.:  1.1222   Patt#:  1
+ => Expected :            3.66                                1.9171
+ => Deviance : 0.278E+05     Dev*:   4.952    
  => GoF-index:  1.6         Sqrt(Residual/N)
- => N-P+C:  5586
+ => N-P+C:  5600
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.1206E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1491E+05    0.7059E+14
+     0.1206E+06    0.1477E+07    0.1455E+07    0.4176E+07    0.1491E+05     0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   18.5      11.6      7.12      2.669    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   18.5      11.6      7.13      2.663    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.6519E+06    0.1101E+07
 
- => N-sigma of the GoF:       88.226
+ => N-sigma of the GoF:       87.990
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => R-Factors:   4.14      5.14     Chi2:  5.18     DW-Stat.:  1.7451   Patt#:
- => Expected :            2.26                                1.8710
- => Deviance : 0.419E+04     Dev*:   2.262    
+ => R-Factors:   4.14      5.14     Chi2:  5.14     DW-Stat.:  1.7451   Patt#:
+ => Expected :            2.27                                1.8559
+ => Deviance : 0.419E+04     Dev*:   2.245    
  => GoF-index:  2.3         Sqrt(Residual/N)
- => N-P+C:  1852
+ => N-P+C:  1866
 
  =>    SumYdif       SumYobs      SumYcal      SumwYobsSQ     Residual    Condition
-     0.3762E+05    0.9085E+06    0.9059E+06    0.3634E+07     9589.        0.7059E+14
+     0.3762E+05    0.9085E+06    0.9059E+06    0.3634E+07     9589.         0.000    
 
 
- => Conventional Rietveld Rp,Rwp,Re and Chi2:   5.94      9.36      4.11      5.177    
+ => Conventional Rietveld Rp,Rwp,Re and Chi2:   5.94      9.36      4.13      5.139    
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.6329E+06    0.1095E+07
 
- => N-sigma of the GoF:      127.120
+ => N-sigma of the GoF:      126.424
 
- => Global user-weigthed Chi2 (Bragg contrib.):   8.05    
+ => Global user-weigthed Chi2 (Bragg contrib.):   7.99    
 
  => ---------> Pattern#  1
  => Phase:  1
  =>    Bragg R-factor:  2.04    
- =>    RF-factor     :  10.7    
+ =>    RF-factor     :  12.3    
 
- --------------------------------------------------------------------------------------------------------------
- Pattern#  1 Phase No.:   1 Phase name: Standard-Si                   
- --------------------------------------------------------------------------------------------------------------
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
+ Pattern#  1 Phase No.:   1 Phase name: Standard-Si
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-      1   1     14  14   4    24     6.107    2010.478       12.6        0.0      9.577   5.741   0.684   0.147  0.268892  2.220598  1.851811  1.000000
-      2   1     20   2   2    24     6.107    2010.478       12.6        0.0      9.577   5.741   0.684   0.147  0.268892  2.220598  1.851811  1.000000
+      1   1     14  14   4    24     6.107    2010.478       12.6        0.0      9.577   5.741   0.684   0.147  0.268892  2.220598  1.851810  1.000000
+      2   1     20   2   2    24     6.107    2010.478       12.6        0.0      9.577   5.741   0.684   0.147  0.268892  2.220598  1.851810  1.000000
       3   1     14  12   8    48     6.121    2020.406        0.0        0.0      0.000   5.752   0.687   0.148  0.270219  2.209686  1.816502  1.000000
       4   1     16  12   2    48     6.121    2020.406        0.0        0.0      0.000   5.752   0.687   0.148  0.270219  2.209686  1.816502  1.000000
       5   1     18   8   4    48     6.121    2020.406        0.0        0.0      0.000   5.752   0.687   0.148  0.270219  2.209686  1.816502  1.000000
-      6   1     15  13   3    48     6.124    2022.911       14.4        0.0     19.479   5.755   0.688   0.148  0.270554  2.206950  1.807730  1.000000
-      7   1     16  12   0    24     6.134    2030.483       15.1        0.0     15.972   5.764   0.691   0.148  0.271567  2.198720  1.781542  1.000000
+      6   1     15  13   3    48     6.124    2022.911       14.4        0.0     19.479   5.755   0.688   0.148  0.270554  2.206950  1.807729  1.000000
+      7   1     16  12   0    24     6.134    2030.483       15.1        0.0     15.973   5.764   0.691   0.148  0.271567  2.198720  1.781542  1.000000
       8   1     20   0   0     6     6.134    2030.483        3.8        0.0      3.993   5.764   0.691   0.148  0.271567  2.198720  1.781542  1.000000
       9   1     14  10  10    24     6.148    2040.712        0.0        0.0      0.000   5.776   0.694   0.148  0.272935  2.187699  1.746929  1.000000
      10   1     14  14   2    24     6.148    2040.712        0.0        0.0      0.000   5.776   0.694   0.148  0.272935  2.187699  1.746929  1.000000
      11   1     18   6   6    24     6.148    2040.712        0.0        0.0      0.000   5.776   0.694   0.148  0.272935  2.187699  1.746929  1.000000
-     12   1     15  11   7    48     6.151    2043.294       16.3        0.0      5.498   5.779   0.695   0.148  0.273281  2.184935  1.738330  1.000000
-     13   1     15  13   1    48     6.151    2043.294       16.3        0.0      5.498   5.779   0.695   0.148  0.273280  2.184935  1.738331  1.000000
-     14   1     19   5   3    48     6.151    2043.294       16.3        0.0      5.498   5.779   0.695   0.148  0.273281  2.184935  1.738330  1.000000
-     15   1     17   9   5    48     6.151    2043.294       16.3        0.0      5.498   5.779   0.695   0.148  0.273281  2.184935  1.738330  1.000000
-     16   1     14  14   0    12     6.162    2051.097        8.4        4.7      2.440   5.788   0.698   0.149  0.274324  2.176622  1.712664  1.000000
-     17   1     16  10   6    48     6.162    2051.097       33.6       18.9      9.759   5.788   0.698   0.149  0.274324  2.176622  1.712664  1.000000
-     18   1     18   8   2    48     6.162    2051.097       33.6       18.9      9.759   5.788   0.698   0.149  0.274324  2.176622  1.712664  1.000000
+     12   1     15  11   7    48     6.151    2043.294       16.3        0.0      5.498   5.779   0.695   0.148  0.273281  2.184934  1.738330  1.000000
+     13   1     15  13   1    48     6.151    2043.294       16.3        0.0      5.498   5.779   0.695   0.148  0.273280  2.184934  1.738331  1.000000
+     14   1     17   9   5    48     6.151    2043.294       16.3        0.0      5.498   5.779   0.695   0.148  0.273281  2.184934  1.738330  1.000000
+     15   1     19   5   3    48     6.151    2043.294       16.3        0.0      5.498   5.779   0.695   0.148  0.273281  2.184934  1.738330  1.000000
+     16   1     14  14   0    12     6.162    2051.097        8.4        4.7      2.440   5.788   0.698   0.149  0.274324  2.176621  1.712664  1.000000
+     17   1     16  10   6    48     6.162    2051.097       33.6       18.9      9.759   5.788   0.698   0.149  0.274324  2.176621  1.712664  1.000000
+     18   1     18   8   2    48     6.162    2051.097       33.6       18.9      9.759   5.788   0.698   0.149  0.274324  2.176621  1.712664  1.000000
      19   1     12  12  10    24     6.176    2061.643        0.0        0.0      0.000   5.800   0.701   0.149  0.275735  2.165488  1.678747  1.000000
-     20   1     15   9   9    24     6.179    2064.305        9.2        4.0      4.411   5.803   0.702   0.149  0.276091  2.162696  1.670323  1.000000
-     21   1     17   7   7    24     6.179    2064.305        9.2        4.0      4.411   5.803   0.702   0.149  0.276091  2.162696  1.670322  1.000000
-     22   1     19   5   1    48     6.179    2064.305       18.3        8.0      8.822   5.803   0.702   0.149  0.276091  2.162696  1.670323  1.000000
-     23   1     13  13   7    24     6.179    2064.305        9.2        4.0      4.411   5.803   0.702   0.149  0.276091  2.162696  1.670322  1.000000
-     24   1     16   8   8    24     6.190    2072.353       18.8       29.4     17.991   5.812   0.705   0.150  0.277167  2.154297  1.645178  1.000000
-     25   1     17   9   3    48     6.209    2085.978       20.2        7.9     12.556   5.828   0.710   0.150  0.278989  2.140225  1.603706  1.000000
-     26   1     19   3   3    24     6.209    2085.978       10.1        4.0      6.278   5.828   0.710   0.150  0.278989  2.140225  1.603706  1.000000
-     27   1     14  12   6    48     6.220    2094.283       42.8       39.4     12.162   5.838   0.712   0.150  0.280100  2.131738  1.579083  1.000000
-     28   1     18   6   4    48     6.220    2094.283       42.8       39.4     12.162   5.838   0.712   0.150  0.280100  2.131738  1.579083  1.000000
-     29   1     16  10   4    48     6.235    2105.513        0.0        0.0      0.000   5.851   0.716   0.151  0.281602  2.120369  1.546558  1.000000
-     30   1     13  11   9    48     6.239    2108.348       22.9       42.3      7.362   5.855   0.717   0.151  0.281981  2.117517  1.538481  1.000000
-     31   1     15  11   5    48     6.239    2108.348       22.9       42.3      7.362   5.855   0.717   0.151  0.281981  2.117517  1.538481  1.000000
-     32   1     17   9   1    48     6.239    2108.348       22.9       42.3      7.362   5.855   0.717   0.151  0.281981  2.117517  1.538481  1.000000
-     33   1     19   3   1    48     6.239    2108.348       22.9       42.3      7.362   5.855   0.717   0.151  0.281981  2.117517  1.538481  1.000000
-     34   1     18   6   2    48     6.267    2128.524        0.0        0.0      0.000   5.879   0.724   0.152  0.284680  2.097445  1.482551  1.000000
+     20   1     13  13   7    24     6.180    2064.305        9.2        4.0      4.411   5.803   0.702   0.149  0.276091  2.162695  1.670322  1.000000
+     21   1     15   9   9    24     6.180    2064.305        9.2        4.0      4.411   5.803   0.702   0.149  0.276091  2.162696  1.670322  1.000000
+     22   1     17   7   7    24     6.180    2064.305        9.2        4.0      4.411   5.803   0.702   0.149  0.276091  2.162695  1.670322  1.000000
+     23   1     19   5   1    48     6.180    2064.305       18.3        8.0      8.822   5.803   0.702   0.149  0.276091  2.162695  1.670322  1.000000
+     24   1     16   8   8    24     6.190    2072.353       18.8       29.5     17.992   5.813   0.705   0.150  0.277167  2.154297  1.645178  1.000000
+     25   1     17   9   3    48     6.209    2085.978       20.2        7.9     12.556   5.828   0.709   0.150  0.278989  2.140225  1.603705  1.000000
+     26   1     19   3   3    24     6.209    2085.978       10.1        4.0      6.278   5.828   0.709   0.150  0.278989  2.140225  1.603705  1.000000
+     27   1     14  12   6    48     6.220    2094.283       42.8       39.5     12.162   5.838   0.712   0.150  0.280100  2.131738  1.579084  1.000000
+     28   1     18   6   4    48     6.220    2094.283       42.8       39.5     12.162   5.838   0.712   0.150  0.280100  2.131738  1.579084  1.000000
+     29   1     16  10   4    48     6.235    2105.513        0.0        0.0      0.000   5.851   0.716   0.151  0.281602  2.120368  1.546558  1.000000
+     30   1     13  11   9    48     6.239    2108.349       22.9       42.3      7.363   5.855   0.717   0.151  0.281981  2.117517  1.538481  1.000000
+     31   1     15  11   5    48     6.239    2108.349       22.9       42.3      7.363   5.855   0.717   0.151  0.281981  2.117517  1.538481  1.000000
+     32   1     17   9   1    48     6.239    2108.349       22.9       42.3      7.363   5.855   0.717   0.151  0.281981  2.117517  1.538481  1.000000
+     33   1     19   3   1    48     6.239    2108.349       22.9       42.3      7.363   5.855   0.717   0.151  0.281981  2.117517  1.538481  1.000000
+     34   1     18   6   2    48     6.267    2128.525        0.0        0.0      0.000   5.879   0.724   0.152  0.284680  2.097445  1.482550  1.000000
      35   1     11  11  11     8     6.271    2131.454        4.2        5.0      1.779   5.882   0.725   0.152  0.285072  2.094562  1.474647  1.000000
-     36   1     13  13   5    24     6.271    2131.454       12.7       15.0      5.338   5.882   0.725   0.152  0.285072  2.094562  1.474647  1.000000
-     37   1     17   7   5    48     6.271    2131.454       25.3       30.0     10.676   5.882   0.725   0.152  0.285072  2.094562  1.474647  1.000000
-     38   1     19   1   1    24     6.271    2131.454       12.7       15.0      5.338   5.882   0.725   0.152  0.285072  2.094562  1.474648  1.000000
-     39   1     14  10   8    48     6.283    2140.317       53.4       84.7     10.117   5.893   0.728   0.152  0.286257  2.085889  1.451069  1.000000
-     40   1     16  10   2    48     6.283    2140.317       53.4       84.7     10.117   5.893   0.728   0.152  0.286257  2.085889  1.451069  1.000000
-     41   1     18   6   0    24     6.283    2140.317       26.7       42.4      5.058   5.893   0.728   0.152  0.286257  2.085889  1.451069  1.000000
-     42   1     14  12   4    48     6.299    2152.308        0.0        0.0      0.000   5.907   0.732   0.152  0.287861  2.074268  1.419935  1.000000
-     43   1     16   8   6    48     6.299    2152.308        0.0        0.0      0.000   5.907   0.732   0.152  0.287861  2.074268  1.419935  1.000000
-     44   1     18   4   4    24     6.299    2152.308        0.0        0.0      0.000   5.907   0.732   0.152  0.287861  2.074268  1.419935  1.000000
-     45   1     15   9   7    48     6.304    2155.337       28.7       58.4     11.933   5.910   0.733   0.153  0.288266  2.071353  1.412205  1.000000
-     46   1     15  11   3    48     6.304    2155.337       28.7       58.4     11.933   5.910   0.733   0.153  0.288266  2.071353  1.412205  1.000000
-     47   1     12  12   8    24     6.316    2164.502       30.1       69.0     21.072   5.921   0.736   0.153  0.289492  2.062582  1.389148  1.000000
-     48   1     13  13   3    24     6.338    2180.041       16.2       18.2      4.693   5.940   0.742   0.153  0.291570  2.047881  1.351155  1.000000
-     49   1     15  11   1    48     6.338    2180.041       32.3       36.4      9.385   5.940   0.742   0.153  0.291570  2.047881  1.351155  1.000000
-     50   1     17   7   3    48     6.338    2180.041       32.3       36.4      9.385   5.940   0.742   0.153  0.291570  2.047881  1.351155  1.000000
-     51   1     14  12   2    48     6.351    2189.526       67.7       82.1     10.336   5.951   0.745   0.154  0.292838  2.039009  1.328620  1.000000
-     52   1     18   4   2    48     6.351    2189.526       67.7       82.1     10.336   5.951   0.745   0.154  0.292838  2.039009  1.328620  1.000000
-     53   1     12  10  10    24     6.351    2189.526       33.9       41.0      5.168   5.951   0.745   0.154  0.292838  2.039009  1.328620  1.000000
+     36   1     19   1   1    24     6.271    2131.454       12.7       15.0      5.338   5.882   0.725   0.152  0.285072  2.094562  1.474647  1.000000
+     37   1     13  13   5    24     6.271    2131.454       12.7       15.0      5.338   5.882   0.725   0.152  0.285072  2.094562  1.474647  1.000000
+     38   1     17   7   5    48     6.271    2131.454       25.3       30.0     10.676   5.882   0.725   0.152  0.285072  2.094562  1.474647  1.000000
+     39   1     14  10   8    48     6.283    2140.317       53.4       84.8     10.118   5.893   0.728   0.152  0.286257  2.085889  1.451069  1.000000
+     40   1     16  10   2    48     6.283    2140.317       53.4       84.8     10.118   5.893   0.728   0.152  0.286257  2.085888  1.451069  1.000000
+     41   1     18   6   0    24     6.283    2140.317       26.7       42.4      5.059   5.893   0.728   0.152  0.286257  2.085889  1.451069  1.000000
+     42   1     14  12   4    48     6.300    2152.308        0.0        0.0      0.000   5.907   0.732   0.152  0.287861  2.074268  1.419935  1.000000
+     43   1     16   8   6    48     6.300    2152.308        0.0        0.0      0.000   5.907   0.732   0.152  0.287861  2.074268  1.419935  1.000000
+     44   1     18   4   4    24     6.300    2152.308        0.0        0.0      0.000   5.907   0.732   0.152  0.287861  2.074268  1.419935  1.000000
+     45   1     15   9   7    48     6.304    2155.337       28.7       58.4     11.934   5.911   0.733   0.153  0.288266  2.071353  1.412205  1.000000
+     46   1     15  11   3    48     6.304    2155.337       28.7       58.4     11.934   5.911   0.733   0.153  0.288266  2.071353  1.412205  1.000000
+     47   1     12  12   8    24     6.316    2164.502       30.1       69.0     21.074   5.922   0.736   0.153  0.289492  2.062582  1.389148  1.000000
+     48   1     13  13   3    24     6.338    2180.041       16.2       18.2      4.692   5.940   0.741   0.153  0.291570  2.047881  1.351155  1.000000
+     49   1     15  11   1    48     6.338    2180.041       32.3       36.4      9.385   5.940   0.741   0.153  0.291570  2.047881  1.351155  1.000000
+     50   1     17   7   3    48     6.338    2180.041       32.3       36.4      9.385   5.940   0.741   0.153  0.291570  2.047881  1.351155  1.000000
+     51   1     12  10  10    24     6.351    2189.526       33.9       41.0      5.168   5.952   0.745   0.154  0.292838  2.039009  1.328620  1.000000
+     52   1     14  12   2    48     6.351    2189.526       67.7       82.1     10.337   5.952   0.745   0.154  0.292838  2.039009  1.328620  1.000000
+     53   1     18   4   2    48     6.351    2189.526       67.7       82.1     10.337   5.952   0.745   0.154  0.292838  2.039009  1.328620  1.000000
      54   1     13  11   7    48     6.373    2205.614       36.2       44.9      8.482   5.971   0.750   0.154  0.294990  2.024136  1.291496  1.000000
-     55   1     17   5   5    24     6.373    2205.614       18.1       22.5      4.241   5.971   0.750   0.154  0.294990  2.024136  1.291496  1.000000
-     56   1     17   7   1    48     6.373    2205.614       36.2       44.9      8.482   5.971   0.750   0.154  0.294990  2.024136  1.291496  1.000000
-     57   1     13  13   1    24     6.373    2205.614       18.1       22.5      4.241   5.971   0.750   0.154  0.294990  2.024136  1.291496  1.000000
-     58   1     16   8   4    48     6.387    2215.438       75.7       86.9     23.968   5.983   0.754   0.155  0.296304  2.015160  1.269482  1.000000
+     55   1     13  13   1    24     6.373    2205.614       18.1       22.5      4.241   5.971   0.750   0.154  0.294990  2.024136  1.291496  1.000000
+     56   1     17   5   5    24     6.373    2205.614       18.1       22.5      4.241   5.971   0.750   0.154  0.294990  2.024136  1.291496  1.000000
+     57   1     17   7   1    48     6.373    2205.614       36.2       44.9      8.482   5.971   0.750   0.154  0.294990  2.024136  1.291496  1.000000
+     58   1     16   8   4    48     6.387    2215.438       75.7       87.0     23.970   5.983   0.754   0.155  0.296304  2.015160  1.269482  1.000000
      59   1     14  10   6    48     6.406    2228.745        0.0        0.0      0.000   5.999   0.758   0.155  0.298084  2.003129  1.240436  1.000000
      60   1     18   2   2    24     6.406    2228.745        0.0        0.0      0.000   5.999   0.758   0.155  0.298084  2.003129  1.240436  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-     61   1     13   9   9    24     6.410    2232.109       20.3       15.1      7.912   6.003   0.759   0.155  0.298534  2.000110  1.233229  1.000000
-     62   1     15   9   5    48     6.410    2232.109       40.6       30.2     15.825   6.003   0.759   0.155  0.298534  2.000110  1.233229  1.000000
-     63   1     16   6   6    24     6.425    2242.293       42.5       18.3     13.022   6.016   0.763   0.156  0.299896  1.991026  1.211737  1.000000
-     64   1     18   2   0    24     6.425    2242.293       42.5       18.3     13.022   6.016   0.763   0.156  0.299896  1.991025  1.211737  1.000000
-     65   1     12  12   6    24     6.444    2256.092        0.0        0.0      0.000   6.032   0.767   0.156  0.301741  1.978848  1.183385  1.000000
-     66   1     14   8   8    24     6.444    2256.092        0.0        0.0      0.000   6.032   0.767   0.156  0.301741  1.978848  1.183385  1.000000
-     67   1     16   8   2    48     6.444    2256.092        0.0        0.0      0.000   6.032   0.767   0.156  0.301741  1.978848  1.183385  1.000000
-     68   1     11  11   9    24     6.449    2259.582       23.1        0.0      6.694   6.037   0.769   0.156  0.302208  1.975792  1.176353  1.000000
-     69   1     15   7   7    24     6.449    2259.582       23.1        0.0      6.694   6.037   0.769   0.156  0.302208  1.975792  1.176353  1.000000
+     61   1     13   9   9    24     6.411    2232.109       20.3       15.1      7.913   6.003   0.759   0.155  0.298534  2.000110  1.233228  1.000000
+     62   1     15   9   5    48     6.411    2232.109       40.6       30.2     15.825   6.003   0.759   0.155  0.298534  2.000110  1.233228  1.000000
+     63   1     16   6   6    24     6.425    2242.293       42.5       18.3     13.023   6.016   0.763   0.156  0.299896  1.991026  1.211737  1.000000
+     64   1     18   2   0    24     6.425    2242.293       42.5       18.3     13.023   6.016   0.763   0.156  0.299896  1.991025  1.211737  1.000000
+     65   1     12  12   6    24     6.444    2256.092        0.0        0.0      0.000   6.033   0.767   0.156  0.301741  1.978848  1.183385  1.000000
+     66   1     14   8   8    24     6.444    2256.092        0.0        0.0      0.000   6.033   0.767   0.156  0.301741  1.978848  1.183385  1.000000
+     67   1     16   8   2    48     6.444    2256.092        0.0        0.0      0.000   6.033   0.767   0.156  0.301741  1.978848  1.183385  1.000000
+     68   1     11  11   9    24     6.449    2259.582       23.1        0.0      6.694   6.037   0.769   0.156  0.302208  1.975792  1.176352  1.000000
+     69   1     15   7   7    24     6.449    2259.582       23.1        0.0      6.694   6.037   0.769   0.156  0.302208  1.975792  1.176352  1.000000
      70   1     17   5   3    48     6.449    2259.582       46.2        0.0     13.387   6.037   0.769   0.156  0.302208  1.975792  1.176352  1.000000
-     71   1     16   8   0    24     6.464    2270.149       48.2       14.8     22.860   6.050   0.772   0.157  0.303621  1.966595  1.155382  1.000000
-     72   1     15   9   3    48     6.489    2288.095       52.0       31.9      9.032   6.072   0.778   0.157  0.306021  1.951170  1.120867  1.000000
-     73   1     13  11   5    48     6.489    2288.095       52.0       31.9      9.032   6.072   0.778   0.157  0.306021  1.951170  1.120867  1.000000
+     71   1     16   8   0    24     6.464    2270.149       48.2       14.9     22.862   6.050   0.772   0.157  0.303621  1.966595  1.155382  1.000000
+     72   1     13  11   5    48     6.489    2288.095       52.0       31.9      9.031   6.072   0.778   0.157  0.306022  1.951170  1.120867  1.000000
+     73   1     15   9   3    48     6.489    2288.095       52.0       31.9      9.032   6.072   0.778   0.157  0.306021  1.951170  1.120867  1.000000
      74   1     17   5   1    48     6.489    2288.095       52.0       31.9      9.032   6.072   0.778   0.157  0.306021  1.951170  1.120867  1.000000
-     75   1     14  10   4    48     6.505    2299.069      109.3      125.1     25.952   6.085   0.782   0.158  0.307489  1.941857  1.100419  1.000000
+     75   1     14  10   4    48     6.505    2299.069      109.3      125.2     25.954   6.086   0.782   0.158  0.307489  1.941857  1.100419  1.000000
      76   1     12  10   8    48     6.526    2313.950        0.0        0.0      0.000   6.104   0.787   0.158  0.309479  1.929369  1.073460  1.000000
      77   1     16   6   4    48     6.526    2313.950        0.0        0.0      0.000   6.104   0.787   0.158  0.309479  1.929369  1.073460  1.000000
      78   1     15   9   1    48     6.532    2317.716       58.7       65.7     17.047   6.109   0.788   0.158  0.309983  1.926234  1.066774  1.000000
-     79   1     17   3   3    24     6.532    2317.716       29.3       32.8      8.523   6.109   0.788   0.158  0.309983  1.926234  1.066774  1.000000
-     80   1     12  12   4    24     6.548    2329.124       61.8      111.9     24.252   6.123   0.792   0.158  0.311509  1.916800  1.046848  1.000000
+     79   1     17   3   3    24     6.532    2317.716       29.3       32.9      8.523   6.109   0.788   0.158  0.309983  1.926234  1.066774  1.000000
+     80   1     12  12   4    24     6.548    2329.124       61.8      112.0     24.253   6.123   0.792   0.158  0.311509  1.916799  1.046848  1.000000
      81   1     10  10  10     8     6.570    2344.600        0.0        0.0      0.000   6.142   0.797   0.159  0.313579  1.904147  1.020584  1.000000
      82   1     14  10   2    48     6.570    2344.600        0.0        0.0      0.000   6.142   0.797   0.159  0.313579  1.904147  1.020584  1.000000
      83   1     13   9   7    48     6.576    2348.517       66.7       89.1      7.299   6.147   0.799   0.159  0.314103  1.900971  1.014072  1.000000
-     84   1     13  11   3    48     6.576    2348.517       66.7       89.1      7.299   6.147   0.799   0.159  0.314103  1.900971  1.014073  1.000000
-     85   1     15   7   5    48     6.576    2348.517       66.7       89.1      7.299   6.147   0.799   0.159  0.314103  1.900971  1.014073  1.000000
-     86   1     17   3   1    48     6.576    2348.517       66.7       89.1      7.299   6.147   0.799   0.159  0.314103  1.900971  1.014073  1.000000
-     87   1     14   8   6    48     6.593    2360.388      139.2      243.6     12.326   6.162   0.803   0.159  0.315690  1.891410  0.994668  1.000000
-     88   1     14  10   0    24     6.593    2360.388       69.6      121.8      6.163   6.162   0.803   0.159  0.315690  1.891410  0.994668  1.000000
-     89   1     16   6   2    48     6.593    2360.388      139.2      243.6     12.326   6.162   0.803   0.159  0.315690  1.891410  0.994668  1.000000
+     84   1     17   3   1    48     6.576    2348.517       66.7       89.1      7.299   6.147   0.799   0.159  0.314103  1.900971  1.014072  1.000000
+     85   1     13  11   3    48     6.576    2348.517       66.7       89.1      7.299   6.147   0.799   0.159  0.314103  1.900971  1.014072  1.000000
+     86   1     15   7   5    48     6.576    2348.517       66.7       89.1      7.299   6.147   0.799   0.159  0.314103  1.900971  1.014072  1.000000
+     87   1     14   8   6    48     6.593    2360.389      139.3      243.6     12.327   6.162   0.803   0.159  0.315690  1.891410  0.994668  1.000000
+     88   1     14  10   0    24     6.593    2360.389       69.6      121.8      6.163   6.162   0.803   0.159  0.315690  1.891410  0.994668  1.000000
+     89   1     16   6   2    48     6.593    2360.389      139.3      243.6     12.327   6.162   0.803   0.159  0.315690  1.891410  0.994668  1.000000
      90   1     12  12   2    24     6.616    2376.501        0.0        0.0      0.000   6.182   0.808   0.160  0.317845  1.878587  0.969100  1.000000
-     91   1     11  11   7    24     6.622    2380.580       37.6       76.1      7.068   6.187   0.810   0.160  0.318391  1.875368  0.962762  1.000000
-     92   1     13  11   1    48     6.622    2380.580       75.2      152.3     14.136   6.187   0.810   0.160  0.318391  1.875368  0.962762  1.000000
-     93   1     17   1   1    24     6.622    2380.580       37.6       76.1      7.068   6.187   0.810   0.160  0.318391  1.875368  0.962762  1.000000
-     94   1     12  12   0    12     6.640    2392.947       39.5       77.6      9.594   6.203   0.814   0.160  0.320045  1.865676  0.943880  1.000000
-     95   1     16   4   4    24     6.640    2392.947       79.0      155.2     19.188   6.203   0.814   0.160  0.320045  1.865676  0.943880  1.000000
-     96   1     11   9   9    24     6.670    2413.994       42.9       67.5      9.585   6.230   0.821   0.161  0.322860  1.849410  0.912843  1.000000
-     97   1     15   7   3    48     6.670    2413.994       85.8      135.0     19.171   6.230   0.821   0.161  0.322860  1.849410  0.912843  1.000000
-     98   1     12  10   6    48     6.689    2426.891      178.8      324.0     29.844   6.246   0.825   0.162  0.324585  1.839581  0.894483  1.000000
+     91   1     17   1   1    24     6.622    2380.580       37.6       76.1      7.068   6.187   0.810   0.160  0.318391  1.875368  0.962762  1.000000
+     92   1     11  11   7    24     6.622    2380.580       37.6       76.1      7.068   6.187   0.810   0.160  0.318391  1.875368  0.962762  1.000000
+     93   1     13  11   1    48     6.622    2380.580       75.2      152.3     14.136   6.187   0.810   0.160  0.318391  1.875368  0.962762  1.000000
+     94   1     12  12   0    12     6.640    2392.947       39.5       77.6      9.595   6.203   0.814   0.160  0.320045  1.865676  0.943879  1.000000
+     95   1     16   4   4    24     6.640    2392.947       79.0      155.2     19.189   6.203   0.814   0.160  0.320045  1.865676  0.943879  1.000000
+     96   1     11   9   9    24     6.670    2413.993       42.9       67.5      9.586   6.230   0.821   0.161  0.322860  1.849410  0.912844  1.000000
+     97   1     15   7   3    48     6.670    2413.994       85.8      135.0     19.171   6.230   0.821   0.161  0.322860  1.849409  0.912843  1.000000
+     98   1     12  10   6    48     6.689    2426.891      178.8      324.1     29.845   6.246   0.825   0.162  0.324585  1.839581  0.894483  1.000000
      99   1     14   8   4    48     6.715    2444.414        0.0        0.0      0.000   6.268   0.831   0.162  0.326928  1.826394  0.870306  1.000000
     100   1     16   4   2    48     6.715    2444.414        0.0        0.0      0.000   6.268   0.831   0.162  0.326928  1.826394  0.870306  1.000000
-    101   1     13   9   5    48     6.721    2448.855       97.5      128.5     12.548   6.274   0.833   0.162  0.327522  1.823082  0.864316  1.000000
-    102   1     15   5   5    24     6.721    2448.854       48.8       64.3      6.274   6.274   0.833   0.162  0.327522  1.823082  0.864316  1.000000
-    103   1     15   7   1    48     6.721    2448.854       97.5      128.5     12.548   6.274   0.833   0.162  0.327522  1.823082  0.864316  1.000000
-    104   1     12   8   8    24     6.741    2462.322      101.9      175.4     15.506   6.291   0.838   0.163  0.329324  1.813111  0.846477  1.000000
-    105   1     16   4   0    24     6.741    2462.322      101.9      175.4     15.506   6.291   0.838   0.163  0.329324  1.813111  0.846477  1.000000
-    106   1     14   6   6    24     6.768    2480.630        0.0        0.0      0.000   6.315   0.844   0.163  0.331772  1.799730  0.822996  1.000000
-    107   1     11  11   5    24     6.774    2485.271       55.4       87.7     13.756   6.321   0.845   0.163  0.332393  1.796369  0.817180  1.000000
-    108   1     13   7   7    24     6.774    2485.271       55.4       87.7     13.756   6.321   0.845   0.163  0.332393  1.796369  0.817180  1.000000
+    101   1     13   9   5    48     6.721    2448.854       97.6      128.5     12.548   6.274   0.833   0.162  0.327522  1.823082  0.864316  1.000000
+    102   1     15   7   1    48     6.721    2448.854       97.6      128.5     12.548   6.274   0.833   0.162  0.327522  1.823082  0.864316  1.000000
+    103   1     15   5   5    24     6.721    2448.855       48.8       64.3      6.274   6.274   0.833   0.162  0.327522  1.823082  0.864316  1.000000
+    104   1     12   8   8    24     6.741    2462.323      101.9      175.4     15.507   6.291   0.837   0.163  0.329324  1.813111  0.846477  1.000000
+    105   1     16   4   0    24     6.741    2462.323      101.9      175.4     15.507   6.291   0.837   0.163  0.329324  1.813111  0.846477  1.000000
+    106   1     14   6   6    24     6.768    2480.629        0.0        0.0      0.000   6.315   0.844   0.163  0.331772  1.799730  0.822996  1.000000
+    107   1     11  11   5    24     6.775    2485.271       55.4       87.7     13.756   6.321   0.845   0.163  0.332393  1.796369  0.817180  1.000000
+    108   1     13   7   7    24     6.775    2485.271       55.4       87.7     13.756   6.321   0.845   0.163  0.332393  1.796369  0.817180  1.000000
     109   1     10  10   8    24     6.795    2499.352      116.7      155.1      9.016   6.339   0.850   0.164  0.334276  1.786248  0.799863  1.000000
-    110   1     14   8   2    48     6.795    2499.352      233.4      310.1     18.032   6.339   0.850   0.164  0.334276  1.786248  0.799863  1.000000
+    110   1     14   8   2    48     6.795    2499.352      233.4      310.2     18.033   6.339   0.850   0.164  0.334276  1.786248  0.799863  1.000000
     111   1     16   2   2    24     6.795    2499.352      116.7      155.1      9.016   6.339   0.850   0.164  0.334276  1.786248  0.799863  1.000000
     112   1     12  10   4    48     6.824    2518.504        0.0        0.0      0.000   6.364   0.857   0.164  0.336838  1.772665  0.777078  1.000000
-    113   1     15   5   3    48     6.831    2523.361      126.6      182.7     16.515   6.370   0.858   0.164  0.337487  1.769253  0.771436  1.000000
-    114   1     13   9   3    48     6.831    2523.361      126.6      182.7     16.515   6.370   0.858   0.164  0.337487  1.769252  0.771436  1.000000
-    115   1     16   0   0     6     6.853    2538.104       33.2       77.9     22.444   6.389   0.863   0.165  0.339459  1.758976  0.754640  1.000000
+    113   1     13   9   3    48     6.831    2523.361      126.6      182.7     16.516   6.370   0.858   0.164  0.337487  1.769252  0.771436  1.000000
+    114   1     15   5   3    48     6.831    2523.362      126.6      182.7     16.516   6.370   0.858   0.164  0.337487  1.769252  0.771435  1.000000
+    115   1     16   0   0     6     6.853    2538.104       33.2       78.0     22.445   6.389   0.863   0.165  0.339459  1.758976  0.754640  1.000000
     116   1     11   9   7    48     6.890    2563.259      144.7      162.5     10.465   6.422   0.872   0.165  0.342823  1.741714  0.727083  1.000000
     117   1     11  11   3    24     6.890    2563.259       72.3       81.3      5.232   6.422   0.872   0.165  0.342823  1.741714  0.727083  1.000000
-    118   1     13   9   1    48     6.890    2563.259      144.7      162.5     10.464   6.422   0.872   0.165  0.342823  1.741714  0.727083  1.000000
-    119   1     15   5   1    48     6.890    2563.259      144.7      162.5     10.464   6.422   0.872   0.165  0.342823  1.741714  0.727083  1.000000
-    120   1     14   6   4    48     6.913    2578.716      304.6      417.6     18.985   6.442   0.877   0.166  0.344891  1.731274  0.710809  1.000000
+    118   1     13   9   1    48     6.890    2563.259      144.7      162.5     10.465   6.422   0.872   0.165  0.342823  1.741714  0.727083  1.000000
+    119   1     15   5   1    48     6.890    2563.259      144.7      162.5     10.465   6.422   0.872   0.165  0.342823  1.741714  0.727083  1.000000
+    120   1     12  10   2    48     6.913    2578.716      304.7      417.6     18.985   6.442   0.877   0.166  0.344891  1.731274  0.710809  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    121   1     12  10   2    48     6.913    2578.716      304.6      417.6     18.985   6.442   0.877   0.166  0.344891  1.731274  0.710809  1.000000
+    121   1     14   6   4    48     6.913    2578.716      304.7      417.6     18.985   6.442   0.877   0.166  0.344891  1.731274  0.710809  1.000000
     122   1     12   8   6    48     6.945    2599.767        0.0        0.0      0.000   6.470   0.884   0.166  0.347706  1.717255  0.689415  1.000000
-    123   1     11  11   1    24     6.953    2605.111       82.8       98.6      9.326   6.477   0.886   0.167  0.348421  1.713733  0.684121  1.000000
-    124   1     15   3   3    24     6.953    2605.111       82.8       98.6      9.326   6.477   0.886   0.167  0.348421  1.713733  0.684121  1.000000
-    125   1      9   9   9     8     6.953    2605.111       27.6       32.9      3.109   6.477   0.886   0.167  0.348421  1.713732  0.684121  1.000000
-    126   1     13   7   5    48     6.953    2605.111      165.5      197.2     18.653   6.477   0.886   0.167  0.348421  1.713732  0.684121  1.000000
+    123   1      9   9   9     8     6.953    2605.111       27.6       32.9      3.109   6.477   0.886   0.167  0.348421  1.713732  0.684121  1.000000
+    124   1     11  11   1    24     6.953    2605.111       82.8       98.6      9.327   6.477   0.886   0.167  0.348421  1.713732  0.684121  1.000000
+    125   1     13   7   5    48     6.953    2605.111      165.6      197.2     18.654   6.477   0.886   0.167  0.348421  1.713732  0.684121  1.000000
+    126   1     15   3   3    24     6.953    2605.111       82.8       98.6      9.327   6.477   0.886   0.167  0.348421  1.713732  0.684121  1.000000
     127   1     10  10   6    24     7.011    2643.463        0.0        0.0      0.000   6.528   0.899   0.168  0.353550  1.688869  0.647672  1.000000
-    128   1     14   6   2    48     7.011    2643.463        0.0        0.0      0.000   6.528   0.899   0.168  0.353550  1.688869  0.647672  1.000000
-    129   1     15   3   1    48     7.019    2649.082      190.3       65.1     34.103   6.535   0.901   0.168  0.354302  1.685287  0.642551  1.000000
-    130   1     14   6   0    24     7.045    2666.155      199.8      190.4     33.020   6.558   0.907   0.168  0.356585  1.674495  0.627321  1.000000
+    128   1     14   6   2    48     7.011    2643.463        0.0        0.0      0.000   6.528   0.899   0.168  0.353550  1.688868  0.647672  1.000000
+    129   1     15   3   1    48     7.019    2649.082      190.4       65.2     34.104   6.535   0.901   0.168  0.354302  1.685287  0.642551  1.000000
+    130   1     14   6   0    24     7.045    2666.155      199.8      190.5     33.022   6.558   0.907   0.168  0.356585  1.674495  0.627321  1.000000
     131   1     10   8   8    24     7.080    2689.440        0.0        0.0      0.000   6.589   0.915   0.169  0.359699  1.659997  0.607319  1.000000
     132   1     14   4   4    24     7.080    2689.440        0.0        0.0      0.000   6.589   0.915   0.169  0.359699  1.659997  0.607319  1.000000
-    133   1     11   9   5    48     7.089    2695.357      218.5      234.2     15.393   6.597   0.917   0.169  0.360491  1.656353  0.602373  1.000000
-    134   1     13   7   3    48     7.089    2695.357      218.5      234.2     15.393   6.597   0.917   0.169  0.360491  1.656353  0.602373  1.000000
-    135   1     15   1   1    24     7.089    2695.357      109.3      117.1      7.696   6.597   0.917   0.169  0.360491  1.656353  0.602373  1.000000
-    136   1     12   8   4    48     7.117    2713.347      461.5      740.6     37.495   6.621   0.923   0.169  0.362897  1.645371  0.587664  1.000000
-    137   1     11   7   7    24     7.164    2744.146      126.2      175.3      9.193   6.662   0.933   0.170  0.367016  1.626904  0.563586  1.000000
-    138   1     13   5   5    24     7.164    2744.146      126.2      175.3      9.193   6.662   0.933   0.170  0.367016  1.626904  0.563586  1.000000
-    139   1     13   7   1    48     7.164    2744.146      252.5      350.6     18.387   6.662   0.933   0.170  0.367016  1.626904  0.563586  1.000000
+    133   1     11   9   5    48     7.089    2695.358      218.5      234.2     15.393   6.597   0.917   0.169  0.360491  1.656353  0.602373  1.000000
+    134   1     13   7   3    48     7.089    2695.358      218.5      234.2     15.393   6.597   0.917   0.169  0.360491  1.656353  0.602373  1.000000
+    135   1     15   1   1    24     7.089    2695.358      109.3      117.1      7.697   6.597   0.917   0.169  0.360491  1.656353  0.602373  1.000000
+    136   1     12   8   4    48     7.117    2713.347      461.6      740.7     37.497   6.621   0.923   0.169  0.362897  1.645371  0.587664  1.000000
+    137   1     13   5   5    24     7.164    2744.146      126.3      175.3      9.193   6.663   0.933   0.170  0.367016  1.626904  0.563586  1.000000
+    138   1     11   7   7    24     7.164    2744.146      126.3      175.3      9.193   6.663   0.933   0.170  0.367016  1.626904  0.563586  1.000000
+    139   1     13   7   1    48     7.164    2744.146      252.5      350.6     18.387   6.663   0.933   0.170  0.367016  1.626904  0.563586  1.000000
     140   1     10  10   4    24     7.193    2763.137      266.4      381.9     11.127   6.688   0.940   0.171  0.369556  1.615723  0.549399  1.000000
-    141   1     12   6   6    24     7.193    2763.137      266.4      381.9     11.127   6.688   0.940   0.171  0.369556  1.615723  0.549399  1.000000
-    142   1     14   4   2    48     7.193    2763.137      532.8      763.8     22.253   6.688   0.940   0.171  0.369556  1.615723  0.549399  1.000000
+    141   1     14   4   2    48     7.193    2763.137      532.8      763.9     22.255   6.688   0.940   0.171  0.369556  1.615723  0.549399  1.000000
+    142   1     12   6   6    24     7.193    2763.137      266.4      381.9     11.128   6.688   0.940   0.171  0.369556  1.615722  0.549399  1.000000
     143   1     12   8   2    48     7.233    2789.083        0.0        0.0      0.000   6.723   0.949   0.171  0.373026  1.600692  0.530788  1.000000
-    144   1      9   9   7    24     7.243    2795.684      145.7      232.0     12.730   6.732   0.951   0.171  0.373909  1.596913  0.526190  1.000000
-    145   1     11   9   3    48     7.243    2795.684      291.4      463.9     25.461   6.732   0.951   0.171  0.373909  1.596913  0.526190  1.000000
-    146   1     12   8   0    24     7.274    2815.773      308.0      501.6     36.778   6.760   0.958   0.172  0.376596  1.585519  0.512525  1.000000
+    144   1      9   9   7    24     7.243    2795.684      145.7      232.0     12.731   6.732   0.951   0.171  0.373909  1.596913  0.526190  1.000000
+    145   1     11   9   3    48     7.243    2795.684      291.4      464.0     25.461   6.732   0.951   0.171  0.373909  1.596913  0.526190  1.000000
+    146   1     12   8   0    24     7.274    2815.773      308.0      501.7     36.780   6.760   0.958   0.172  0.376596  1.585519  0.512525  1.000000
     147   1     10  10   2    24     7.317    2843.245        0.0        0.0      0.000   6.797   0.967   0.172  0.380270  1.570200  0.494610  1.000000
     148   1     14   2   2    24     7.317    2843.245        0.0        0.0      0.000   6.797   0.967   0.172  0.380270  1.570200  0.494610  1.000000
-    149   1     11   9   1    48     7.328    2850.239      338.3      394.5     20.437   6.807   0.969   0.173  0.381205  1.566347  0.490186  1.000000
-    150   1     13   5   3    48     7.328    2850.239      338.3      394.6     20.437   6.807   0.969   0.173  0.381205  1.566347  0.490186  1.000000
-    151   1     10   8   6    48     7.361    2871.536      714.9      906.8     27.030   6.836   0.977   0.173  0.384054  1.554730  0.477043  1.000000
-    152   1     10  10   0    12     7.361    2871.536      178.7      226.7      6.757   6.836   0.977   0.173  0.384054  1.554730  0.477043  1.000000
-    153   1     14   2   0    24     7.361    2871.536      357.5      453.4     13.515   6.836   0.977   0.173  0.384054  1.554730  0.477043  1.000000
-    154   1     12   6   4    48     7.406    2900.690        0.0        0.0      0.000   6.876   0.987   0.174  0.387953  1.539104  0.459824  1.000000
-    155   1     11   7   5    48     7.418    2908.118      393.7      414.9     22.170   6.887   0.989   0.174  0.388946  1.535173  0.455573  1.000000
-    156   1     13   5   1    48     7.418    2908.118      393.7      414.9     22.170   6.887   0.989   0.174  0.388946  1.535173  0.455573  1.000000
-    157   1      8   8   8     8     7.454    2930.750      138.9      160.1     33.340   6.918   0.997   0.174  0.391973  1.523318  0.442952  1.000000
-    158   1      9   9   5    24     7.515    2969.672      229.9       80.8     20.296   6.972   1.010   0.175  0.397179  1.503352  0.422352  1.000000
-    159   1     13   3   3    24     7.515    2969.672      229.9       80.8     20.296   6.972   1.010   0.175  0.397179  1.503352  0.422352  1.000000
-    160   1     12   6   2    48     7.553    2993.784      975.7      825.0     46.678   7.006   1.018   0.176  0.400404  1.491244  0.410253  1.000000
-    161   1     10   8   4    48     7.606    3026.865        0.0        0.0      0.000   7.052   1.030   0.176  0.404828  1.474946  0.394425  1.000000
-    162   1      9   7   7    24     7.619    3035.308      269.2      240.6     10.042   7.064   1.032   0.177  0.405958  1.470843  0.390522  1.000000
-    163   1     11   7   3    48     7.619    3035.308      538.4      481.1     20.085   7.064   1.032   0.177  0.405958  1.470843  0.390522  1.000000
+    149   1     11   9   1    48     7.328    2850.240      338.3      394.6     20.437   6.807   0.969   0.173  0.381206  1.566347  0.490186  1.000000
+    150   1     13   5   3    48     7.328    2850.240      338.3      394.6     20.437   6.807   0.969   0.173  0.381206  1.566347  0.490186  1.000000
+    151   1     10  10   0    12     7.361    2871.536      178.7      226.7      6.758   6.836   0.977   0.173  0.384054  1.554730  0.477043  1.000000
+    152   1     14   2   0    24     7.361    2871.536      357.5      453.4     13.515   6.836   0.977   0.173  0.384054  1.554730  0.477043  1.000000
+    153   1     10   8   6    48     7.361    2871.536      715.0      906.8     27.031   6.836   0.977   0.173  0.384054  1.554730  0.477043  1.000000
+    154   1     12   6   4    48     7.407    2900.690        0.0        0.0      0.000   6.877   0.987   0.174  0.387953  1.539104  0.459823  1.000000
+    155   1     11   7   5    48     7.418    2908.118      393.8      414.9     22.171   6.887   0.989   0.174  0.388947  1.535173  0.455573  1.000000
+    156   1     13   5   1    48     7.418    2908.118      393.8      414.9     22.171   6.887   0.989   0.174  0.388947  1.535173  0.455573  1.000000
+    157   1      8   8   8     8     7.454    2930.750      138.9      160.2     33.341   6.918   0.997   0.174  0.391973  1.523318  0.442952  1.000000
+    158   1      9   9   5    24     7.515    2969.672      229.9       80.8     20.297   6.972   1.010   0.175  0.397179  1.503352  0.422352  1.000000
+    159   1     13   3   3    24     7.515    2969.672      229.9       80.8     20.297   6.972   1.010   0.175  0.397179  1.503352  0.422352  1.000000
+    160   1     12   6   2    48     7.553    2993.784      975.8      825.1     46.680   7.006   1.018   0.176  0.400404  1.491244  0.410253  1.000000
+    161   1     10   8   4    48     7.606    3026.865        0.0        0.0      0.000   7.052   1.029   0.176  0.404828  1.474946  0.394425  1.000000
+    162   1      9   7   7    24     7.619    3035.309      269.2      240.6     10.043   7.064   1.032   0.177  0.405958  1.470843  0.390522  1.000000
+    163   1     11   7   3    48     7.619    3035.309      538.4      481.2     20.085   7.064   1.032   0.177  0.405958  1.470843  0.390522  1.000000
     164   1     13   3   1    48     7.619    3035.309      538.4      481.2     20.085   7.064   1.032   0.177  0.405958  1.470843  0.390522  1.000000
-    165   1     12   4   4    24     7.660    3061.068      571.6      625.5     42.568   7.101   1.041   0.177  0.409403  1.458466  0.378945  1.000000
-    166   1     10   6   6    24     7.717    3096.457        0.0        0.0      0.000   7.151   1.053   0.178  0.414136  1.441797  0.363812  1.000000
-    167   1      9   9   3    24     7.731    3105.499      316.6      317.4     10.689   7.164   1.056   0.178  0.415345  1.437600  0.360084  1.000000
+    165   1     12   4   4    24     7.660    3061.068      571.6      625.6     42.570   7.101   1.041   0.177  0.409403  1.458466  0.378945  1.000000
+    166   1     10   6   6    24     7.717    3096.458        0.0        0.0      0.000   7.151   1.053   0.178  0.414136  1.441797  0.363812  1.000000
+    167   1      9   9   3    24     7.731    3105.498      316.6      317.4     10.689   7.164   1.056   0.178  0.415345  1.437600  0.360084  1.000000
     168   1     11   5   5    24     7.731    3105.498      316.6      317.4     10.689   7.164   1.056   0.178  0.415345  1.437600  0.360084  1.000000
-    169   1     11   7   1    48     7.731    3105.498      633.2      634.7     21.377   7.164   1.056   0.178  0.415345  1.437600  0.360084  1.000000
-    170   1     13   1   1    24     7.731    3105.499      316.6      317.4     10.689   7.164   1.056   0.178  0.415345  1.437600  0.360084  1.000000
-    171   1     10   8   2    48     7.776    3133.103     1348.5     1493.4     53.715   7.203   1.066   0.179  0.419037  1.424933  0.349028  1.000000
-    172   1      8   8   6    24     7.837    3171.081        0.0        0.0      0.000   7.257   1.079   0.179  0.424117  1.407868  0.334592  1.000000
+    169   1     11   7   1    48     7.731    3105.498      633.3      634.8     21.378   7.164   1.056   0.178  0.415345  1.437600  0.360084  1.000000
+    170   1     13   1   1    24     7.731    3105.498      316.6      317.4     10.689   7.164   1.056   0.178  0.415345  1.437600  0.360084  1.000000
+    171   1     10   8   2    48     7.776    3133.103     1348.6     1493.6     53.717   7.203   1.066   0.179  0.419037  1.424933  0.349028  1.000000
+    172   1      8   8   6    24     7.837    3171.082        0.0        0.0      0.000   7.257   1.079   0.179  0.424117  1.407868  0.334592  1.000000
     173   1     12   4   2    48     7.837    3171.082        0.0        0.0      0.000   7.257   1.079   0.179  0.424117  1.407868  0.334592  1.000000
-    174   1      9   9   1    24     7.853    3180.794      374.1      211.5     42.648   7.271   1.082   0.179  0.425416  1.403569  0.331037  1.000000
-    175   1     12   4   0    24     7.901    3210.475      797.7      741.1     49.901   7.314   1.092   0.180  0.429385  1.390593  0.320503  1.000000
-    176   1      9   7   5    48     7.984    3261.846      888.3      944.7     28.644   7.388   1.109   0.181  0.436256  1.368692  0.303381  1.000000
-    177   1     11   5   3    48     7.984    3261.846      888.3      944.7     28.644   7.388   1.109   0.181  0.436256  1.368692  0.303381  1.000000
-    178   1     10   6   4    48     8.037    3293.878     1899.3     2069.3     43.640   7.434   1.120   0.181  0.440540  1.355382  0.293370  1.000000
-    179   1     12   2   2    24     8.037    3293.878      949.6     1034.7     21.820   7.434   1.120   0.181  0.440540  1.355382  0.293370  1.000000
+    174   1      9   9   1    24     7.853    3180.794      374.2      211.6     42.649   7.271   1.082   0.179  0.425416  1.403569  0.331037  1.000000
+    175   1     12   4   0    24     7.901    3210.476      797.8      741.2     49.902   7.314   1.092   0.180  0.429385  1.390593  0.320503  1.000000
+    176   1      9   7   5    48     7.984    3261.846      888.3      944.8     28.645   7.388   1.109   0.181  0.436256  1.368692  0.303382  1.000000
+    177   1     11   5   3    48     7.984    3261.846      888.3      944.8     28.645   7.388   1.109   0.181  0.436256  1.368692  0.303382  1.000000
+    178   1     12   2   2    24     8.037    3293.878      949.7     1034.7     21.821   7.434   1.120   0.181  0.440540  1.355382  0.293370  1.000000
+    179   1     10   6   4    48     8.037    3293.878     1899.4     2069.5     43.642   7.434   1.120   0.181  0.440540  1.355382  0.293370  1.000000
     180   1      7   7   7     8     8.128    3349.428      176.9      171.8      7.779   7.515   1.139   0.182  0.447970  1.332903  0.277118  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    181   1     11   5   1    48     8.128    3349.428     1061.3     1030.9     46.675   7.515   1.139   0.182  0.447970  1.332903  0.277118  1.000000
-    182   1      8   8   4    24     8.185    3384.138     1135.8     1095.1     46.218   7.566   1.151   0.183  0.452612  1.319232  0.267627  1.000000
-    183   1     12   0   0     6     8.185    3384.138      283.9      273.8     11.555   7.566   1.151   0.183  0.452612  1.319232  0.267627  1.000000
-    184   1     10   6   2    48     8.264    3432.143        0.0        0.0      0.000   7.636   1.167   0.184  0.459032  1.300780  0.255278  1.000000
-    185   1     11   3   3    24     8.285    3444.466      637.0      613.6     20.708   7.655   1.172   0.184  0.460680  1.296126  0.252245  1.000000
-    186   1      9   7   3    48     8.285    3444.466     1274.1     1227.1     41.415   7.655   1.172   0.184  0.460680  1.296126  0.252245  1.000000
-    187   1      8   6   6    24     8.348    3482.249     1366.5     1383.2     33.473   7.710   1.184   0.185  0.465734  1.282063  0.243277  1.000000
-    188   1     10   6   0    24     8.348    3482.249     1366.5     1383.2     33.473   7.710   1.184   0.185  0.465734  1.282063  0.243277  1.000000
+    181   1     11   5   1    48     8.128    3349.428     1061.3     1031.0     46.676   7.515   1.139   0.182  0.447970  1.332903  0.277118  1.000000
+    182   1      8   8   4    24     8.185    3384.138     1135.8     1095.2     46.220   7.566   1.151   0.183  0.452612  1.319232  0.267627  1.000000
+    183   1     12   0   0     6     8.185    3384.138      284.0      273.8     11.555   7.566   1.151   0.183  0.452612  1.319232  0.267627  1.000000
+    184   1     10   6   2    48     8.264    3432.143        0.0        0.0      0.000   7.637   1.167   0.184  0.459032  1.300780  0.255278  1.000000
+    185   1      9   7   3    48     8.285    3444.467     1274.1     1227.2     41.416   7.655   1.172   0.184  0.460680  1.296126  0.252245  1.000000
+    186   1     11   3   3    24     8.285    3444.467      637.1      613.6     20.708   7.655   1.172   0.184  0.460680  1.296126  0.252245  1.000000
+    187   1      8   6   6    24     8.348    3482.250     1366.6     1383.3     33.474   7.711   1.184   0.185  0.465734  1.282063  0.243277  1.000000
+    188   1     10   6   0    24     8.348    3482.250     1366.6     1383.3     33.474   7.711   1.184   0.185  0.465734  1.282063  0.243277  1.000000
     189   1      8   8   2    24     8.435    3534.617        0.0        0.0      0.000   7.788   1.202   0.185  0.472738  1.263068  0.231623  1.000000
     190   1     10   4   4    24     8.435    3534.617        0.0        0.0      0.000   7.788   1.202   0.185  0.472738  1.263068  0.231623  1.000000
     191   1      9   5   5    24     8.457    3548.082      770.0      707.1     15.139   7.808   1.207   0.186  0.474539  1.258275  0.228764  1.000000
-    192   1      9   7   1    48     8.457    3548.082     1540.0     1414.2     30.277   7.808   1.207   0.186  0.474539  1.258275  0.228764  1.000000
-    193   1     11   3   1    48     8.457    3548.082     1540.0     1414.2     30.277   7.808   1.207   0.186  0.474539  1.258275  0.228764  1.000000
-    194   1      8   8   0    12     8.527    3589.421      828.3      519.2     54.655   7.870   1.221   0.186  0.480067  1.243784  0.220318  1.000000
-    195   1      7   7   5    24     8.648    3661.649      937.3      617.7     32.843   7.978   1.245   0.187  0.489728  1.219249  0.206675  1.000000
-    196   1     11   1   1    24     8.648    3661.649      937.3      617.7     32.843   7.978   1.245   0.187  0.489728  1.219249  0.206675  1.000000
-    197   1     10   4   2    48     8.725    3707.137     4045.3     3778.6     81.573   8.047   1.261   0.188  0.495811  1.204288  0.198750  1.000000
-    198   1      8   6   4    48     8.833    3770.512        0.0        0.0      0.000   8.143   1.283   0.189  0.504287  1.184047  0.188488  1.000000
-    199   1      9   5   3    48     8.861    3786.870     2302.6     1710.5     83.882   8.167   1.288   0.189  0.506475  1.178932  0.185977  1.000000
-    200   1     10   2   2    24     9.067    3907.666        0.0        0.0      0.000   8.352   1.329   0.190  0.522631  1.142488  0.169007  1.000000
-    201   1      6   6   6     8     9.067    3907.666        0.0        0.0      0.000   8.352   1.329   0.190  0.522631  1.142488  0.169007  1.000000
-    202   1      7   7   3    24     9.099    3925.884     1428.1     1355.7     30.020   8.380   1.335   0.191  0.525068  1.137187  0.166670  1.000000
-    203   1      9   5   1    48     9.099    3925.884     2856.1     2711.4     60.040   8.380   1.335   0.191  0.525068  1.137187  0.166670  1.000000
-    204   1      8   6   2    48     9.195    3982.105     6209.0     6513.8     70.523   8.466   1.354   0.191  0.532587  1.121132  0.159789  1.000000
-    205   1     10   2   0    24     9.195    3982.105     3104.5     3256.9     35.261   8.466   1.354   0.191  0.532587  1.121132  0.159789  1.000000
-    206   1      7   5   5    24     9.367    4081.424     1790.9     1743.6     30.921   8.620   1.388   0.192  0.545870  1.093849  0.148755  1.000000
-    207   1      7   7   1    24     9.367    4081.424     1790.9     1743.6     30.921   8.620   1.388   0.192  0.545870  1.093849  0.148755  1.000000
-    208   1      9   3   3    24     9.367    4081.424     1790.9     1743.6     30.921   8.620   1.388   0.192  0.545870  1.093849  0.148755  1.000000
-    209   1      8   4   4    24     9.477    4144.706     3912.3     3890.9     89.294   8.718   1.410   0.193  0.554334  1.077148  0.142396  1.000000
-    210   1      9   3   1    48     9.674    4257.049     4551.5     4060.8     95.910   8.894   1.448   0.194  0.569359  1.048723  0.132231  1.000000
-    211   1      6   6   4    24     9.800    4329.004     4998.2     4498.0     96.597   9.007   1.472   0.195  0.578983  1.031291  0.126394  1.000000
+    192   1      9   7   1    48     8.457    3548.083     1540.0     1414.3     30.278   7.808   1.207   0.186  0.474539  1.258275  0.228764  1.000000
+    193   1     11   3   1    48     8.457    3548.083     1540.0     1414.3     30.278   7.808   1.207   0.186  0.474539  1.258275  0.228764  1.000000
+    194   1      8   8   0    12     8.527    3589.421      828.3      519.3     54.657   7.870   1.221   0.186  0.480067  1.243784  0.220318  1.000000
+    195   1      7   7   5    24     8.648    3661.650      937.3      617.8     32.844   7.978   1.245   0.187  0.489728  1.219249  0.206675  1.000000
+    196   1     11   1   1    24     8.648    3661.650      937.3      617.8     32.844   7.978   1.245   0.187  0.489728  1.219249  0.206675  1.000000
+    197   1     10   4   2    48     8.725    3707.137     4045.5     3778.9     81.576   8.047   1.261   0.188  0.495811  1.204288  0.198750  1.000000
+    198   1      8   6   4    48     8.833    3770.512        0.0        0.0      0.000   8.143   1.282   0.189  0.504287  1.184047  0.188488  1.000000
+    199   1      9   5   3    48     8.861    3786.870     2302.7     1710.7     83.884   8.168   1.288   0.189  0.506475  1.178932  0.185977  1.000000
+    200   1      6   6   6     8     9.067    3907.666        0.0        0.0      0.000   8.352   1.329   0.190  0.522631  1.142488  0.169007  1.000000
+    201   1     10   2   2    24     9.067    3907.666        0.0        0.0      0.000   8.352   1.329   0.190  0.522631  1.142488  0.169007  1.000000
+    202   1      7   7   3    24     9.099    3925.884     1428.1     1355.8     30.021   8.380   1.335   0.191  0.525068  1.137187  0.166670  1.000000
+    203   1      9   5   1    48     9.099    3925.884     2856.2     2711.6     60.041   8.380   1.335   0.191  0.525068  1.137187  0.166670  1.000000
+    204   1      8   6   2    48     9.195    3982.105     6209.2     6514.1     70.525   8.466   1.354   0.191  0.532587  1.121132  0.159789  1.000000
+    205   1     10   2   0    24     9.195    3982.105     3104.6     3257.0     35.262   8.466   1.354   0.191  0.532587  1.121132  0.159789  1.000000
+    206   1      7   5   5    24     9.367    4081.424     1791.0     1743.7     30.922   8.620   1.388   0.192  0.545870  1.093849  0.148755  1.000000
+    207   1      7   7   1    24     9.367    4081.424     1791.0     1743.7     30.922   8.620   1.388   0.192  0.545870  1.093849  0.148755  1.000000
+    208   1      9   3   3    24     9.367    4081.424     1791.0     1743.7     30.922   8.620   1.388   0.192  0.545870  1.093849  0.148755  1.000000
+    209   1      8   4   4    24     9.477    4144.706     3912.4     3891.1     89.297   8.718   1.410   0.193  0.554334  1.077148  0.142396  1.000000
+    210   1      9   3   1    48     9.674    4257.049     4551.6     4061.1     95.913   8.894   1.448   0.194  0.569359  1.048723  0.132231  1.000000
+    211   1      6   6   4    24     9.800    4329.004     4998.3     4498.2     96.600   9.007   1.472   0.195  0.578983  1.031291  0.126394  1.000000
     212   1      8   4   2    48     9.980    4430.877        0.0        0.0      0.000   9.168   1.507   0.196  0.592608  1.007580  0.118915  1.000000
-    213   1      7   5   3    48    10.027    4457.489     5871.9     5710.3     78.190   9.210   1.516   0.196  0.596167  1.001565  0.117099  1.000000
-    214   1      9   1   1    24    10.027    4457.489     2935.9     2855.2     39.095   9.210   1.516   0.196  0.596167  1.001565  0.117099  1.000000
-    215   1      8   4   0    24    10.174    4540.298     6492.1     6080.8    105.846   9.342   1.544   0.197  0.607243  0.983297  0.111783  1.000000
-    216   1      6   6   2    24    10.384    4658.247        0.0        0.0      0.000   9.530   1.584   0.198  0.623018  0.958400  0.105000  1.000000
-    217   1      5   5   5     8    10.439    4689.199     1287.3     1187.6     17.226   9.580   1.595   0.198  0.627157  0.952074  0.103358  1.000000
-    218   1      7   5   1    48    10.439    4689.199     7724.1     7125.4    103.354   9.580   1.595   0.198  0.627157  0.952074  0.103358  1.000000
-    219   1      6   6   0    12    10.612    4785.894     4302.4     4228.7     43.792   9.735   1.628   0.199  0.640090  0.932838  0.098564  1.000000
-    220   1      8   2   2    24    10.612    4785.894     8604.8     8457.4     87.584   9.735   1.628   0.199  0.640090  0.932838  0.098564  1.000000
+    213   1      7   5   3    48    10.027    4457.489     5872.0     5710.5     78.192   9.210   1.516   0.196  0.596167  1.001565  0.117099  1.000000
+    214   1      9   1   1    24    10.027    4457.489     2936.0     2855.3     39.096   9.210   1.516   0.196  0.596167  1.001565  0.117099  1.000000
+    215   1      8   4   0    24    10.174    4540.298     6492.2     6081.1    105.848   9.342   1.544   0.197  0.607243  0.983297  0.111783  1.000000
+    216   1      6   6   2    24    10.384    4658.248        0.0        0.0      0.000   9.530   1.584   0.198  0.623018  0.958400  0.105000  1.000000
+    217   1      5   5   5     8    10.439    4689.199     1287.4     1187.6     17.226   9.580   1.595   0.198  0.627157  0.952074  0.103358  1.000000
+    218   1      7   5   1    48    10.439    4689.199     7724.2     7125.7    103.357   9.580   1.595   0.198  0.627157  0.952074  0.103358  1.000000
+    219   1      6   6   0    12    10.612    4785.895     4302.5     4228.8     43.793   9.735   1.628   0.199  0.640090  0.932838  0.098564  1.000000
+    220   1      8   2   2    24    10.612    4785.895     8604.9     8457.7     87.586   9.735   1.628   0.199  0.640090  0.932838  0.098564  1.000000
     221   1      6   4   4    24    10.862    4924.645        0.0        0.0      0.000   9.960   1.675   0.200  0.658647  0.906555  0.092477  1.000000
-    222   1      7   3   3    24    10.928    4961.259     5193.8     4382.1    116.578  10.019   1.688   0.200  0.663544  0.899865  0.091009  1.000000
-    223   1      8   0   0     6    11.136    5076.207     2922.6     3064.5    104.222  10.206   1.727   0.201  0.678918  0.879488  0.086737  1.000000
-    224   1      5   5   3    24    11.520    5286.927     7189.0     7388.2     55.155  10.551   1.798   0.202  0.707101  0.844434  0.080051  1.000000
-    225   1      7   3   1    48    11.520    5286.927    14378.1    14776.4    110.310  10.551   1.798   0.202  0.707101  0.844434  0.080051  1.000000
-    226   1      6   4   2    48    11.776    5426.693    32768.5    33819.9    177.693  10.781   1.846   0.203  0.725794  0.822686  0.076301  1.000000
-    227   1      5   5   1    24    12.254    5686.489    10325.1    10675.2     84.390  11.211   1.934   0.204  0.760540  0.785100  0.070485  1.000000
-    228   1      7   1   1    24    12.254    5686.489    10325.0    10675.2     84.390  11.211   1.934   0.204  0.760540  0.785100  0.070485  1.000000
-    229   1      4   4   4     8    12.578    5861.500     7977.3     7856.7    125.771  11.503   1.994   0.205  0.783947  0.761659  0.067256  1.000000
+    222   1      7   3   3    24    10.928    4961.259     5193.9     4382.4    116.581  10.019   1.687   0.200  0.663544  0.899865  0.091009  1.000000
+    223   1      8   0   0     6    11.136    5076.208     2922.6     3064.7    104.224  10.206   1.726   0.201  0.678918  0.879488  0.086737  1.000000
+    224   1      5   5   3    24    11.520    5286.927     7189.1     7388.4     55.156  10.551   1.798   0.202  0.707100  0.844434  0.080051  1.000000
+    225   1      7   3   1    48    11.520    5286.927    14378.2    14776.9    110.312  10.551   1.798   0.202  0.707100  0.844434  0.080051  1.000000
+    226   1      6   4   2    48    11.776    5426.694    32768.7    33820.9    177.697  10.781   1.846   0.203  0.725794  0.822686  0.076301  1.000000
+    227   1      5   5   1    24    12.254    5686.489    10325.1    10675.6     84.392  11.211   1.934   0.204  0.760540  0.785100  0.070485  1.000000
+    228   1      7   1   1    24    12.254    5686.489    10325.1    10675.5     84.392  11.211   1.934   0.204  0.760540  0.785100  0.070485  1.000000
+    229   1      4   4   4     8    12.578    5861.500     7977.3     7857.0    125.774  11.503   1.994   0.205  0.783947  0.761659  0.067256  1.000000
     230   1      6   2   2    24    13.062    6122.137        0.0        0.0      0.000  11.939   2.082   0.206  0.818806  0.729233  0.063256  1.000000
-    231   1      5   3   3    24    13.194    6192.915    15591.5    16322.2    160.593  12.058   2.106   0.206  0.828272  0.720899  0.062310  1.000000
-    232   1      6   2   0    24    13.621    6420.951    36997.3    39043.6    195.636  12.443   2.184   0.207  0.858771  0.695296  0.059603  1.000000
-    233   1      4   4   2    24    14.274    6768.276        0.0        0.0      0.000  13.033   2.302   0.208  0.905224  0.659616  0.056299  1.000000
-    234   1      5   3   1    48    14.456    6864.285    50505.6    51532.2    222.352  13.196   2.335   0.209  0.918064  0.650390  0.055527  1.000000
-    235   1      4   4   0    12    15.051    7178.841    31031.4    32978.3    199.500  13.734   2.442   0.210  0.960135  0.621892  0.053342  1.000000
-    236   1      5   1   1    24    16.263    7815.333    45563.3    46006.3    188.799  14.829   2.658   0.211  1.045262  0.571244  0.050135  1.000000
-    237   1      3   3   3     8    16.263    7815.333    15187.8    15335.4     62.933  14.829   2.658   0.211  1.045262  0.571244  0.050135  1.000000
-    238   1      4   2   2    24    17.172    8289.412   118455.2   120208.7    337.460  15.650   2.820   0.212  1.108668  0.538574  0.048472  1.000000
-    239   1      3   3   1    24    19.151    9316.494    98852.0    98619.6    352.817  17.441   3.169   0.213  1.246035  0.479200  0.046134  1.000000
-    240   1      4   0   0     6    20.773   10152.414    71599.6    70694.7    348.525  18.908   3.453   0.214  1.357836  0.439744  0.044993  1.000000
+    231   1      5   3   3    24    13.194    6192.915    15591.5    16322.7    160.597  12.058   2.106   0.206  0.828272  0.720898  0.062310  1.000000
+    232   1      6   2   0    24    13.621    6420.951    36997.3    39044.7    195.640  12.443   2.184   0.207  0.858771  0.695296  0.059603  1.000000
+    233   1      4   4   2    24    14.274    6768.277        0.0        0.0      0.000  13.033   2.302   0.208  0.905224  0.659616  0.056299  1.000000
+    234   1      5   3   1    48    14.456    6864.285    50505.4    51533.5    222.357  13.196   2.335   0.209  0.918064  0.650390  0.055527  1.000000
+    235   1      4   4   0    12    15.051    7178.842    31031.3    32979.2    199.505  13.734   2.442   0.210  0.960135  0.621892  0.053342  1.000000
+    236   1      3   3   3     8    16.263    7815.333    15187.7    15335.8     62.934  14.829   2.658   0.211  1.045262  0.571244  0.050135  1.000000
+    237   1      5   1   1    24    16.263    7815.333    45563.0    46007.5    188.803  14.829   2.658   0.211  1.045262  0.571244  0.050135  1.000000
+    238   1      4   2   2    24    17.171    8289.412   118454.3   120211.6    337.468  15.650   2.819   0.212  1.108668  0.538574  0.048472  1.000000
+    239   1      3   3   1    24    19.151    9316.495    98851.0    98622.0    352.826  17.441   3.169   0.213  1.246035  0.479200  0.046134  1.000000
+    240   1      4   0   0     6    20.772   10152.415    71598.8    70696.6    348.534  18.908   3.453   0.214  1.357836  0.439744  0.044993  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    241   1      2   2   2     8    23.836   11722.999        0.0        0.0      0.000  21.682   3.987   0.216  1.567894  0.380829  0.043775  1.000000
-    242   1      3   1   1    24    24.856   12244.273   316807.9   311707.8    839.693  22.607   4.165   0.216  1.637611  0.364616  0.043525  1.000000
-    243   1      2   2   0    12    29.007   14357.683   615334.8   601778.8   1568.492  26.369   4.884   0.217  1.920269  0.310946  0.042906  1.000000
-    244   1      1   1   1     8    46.986   23445.998  1524861.5  1546089.6   7026.241  42.677   7.975   0.219  3.135787  0.190415  0.042308  1.000000
+    241   1      2   2   2     8    23.835   11722.999        0.0        0.0      0.000  21.682   3.987   0.216  1.567894  0.380829  0.043775  1.000000
+    242   1      3   1   1    24    24.856   12244.273   316803.3   311715.5    839.713  22.607   4.164   0.216  1.637611  0.364616  0.043525  1.000000
+    243   1      2   2   0    12    29.007   14357.684   615324.9   601793.4   1568.530  26.369   4.883   0.217  1.920270  0.310946  0.042906  1.000000
+    244   1      1   1   1     8    46.985   23445.998  1524832.5  1546124.2   7026.408  42.678   7.974   0.219  3.135787  0.190415  0.042308  1.000000
 
      -----------------------------------------------------
      BRAGG R-Factors and weight fractions for Pattern #  1
      -----------------------------------------------------
 
  => Phase:  1     Standard-Si
- => Bragg R-factor:   2.04       Vol:  160.222( 0.003)  Fract(%):  100.00( 0.48)
+ => Bragg R-factor:   2.04       Vol:  160.222( 0.000)  Fract(%):  100.00( 0.00)
  => Rf-factor=  12.7             ATZ:      129420.289   Brindley:  1.0000
 
      -----------------------------------------------------------------
       SYMBOLIC NAMES AND FINAL VALUES AND SIGMA OF REFINED PARAMETERS:
      -----------------------------------------------------------------
 
-      ->  Parameter number    1 :                                     Scale_ph1_pat1    0.67509878    ( +/-    0.22782083E-02 )
-      ->  Parameter number    2 :                                         Bck_0_pat1     152.73688    ( +/-    0.72765821     )
-      ->  Parameter number    3 :                                         Bck_1_pat1     1.4299734    ( +/-     1.2721635     )
-      ->  Parameter number    4 :                                         Bck_2_pat1     37.243088    ( +/-     1.1148049     )
-      ->  Parameter number    5 :                                    Cell_A_ph1_pat1     5.4313421    ( +/-    0.49224647E-04 )
-      ->  Parameter number    6 :                                         Bck_3_pat1     12.114798    ( +/-     1.0251051     )
-      ->  Parameter number    7 :                                         Bck_4_pat1     19.181000    ( +/-    0.99951643     )
-      ->  Parameter number    8 :                                         Bck_5_pat1     3.3484297    ( +/-    0.83149868     )
-      ->  Parameter number    9 :                                     Sig-1_ph1_pat1     33.041843    ( +/-    0.83644277     )
-      ->  Parameter number   10 :                                     Gam-1_ph1_pat1     2.5430942    ( +/-    0.93179800E-01 )
-      ->  Parameter number   11 :                                        Biso_Si_ph1    0.52449036    ( +/-    0.50356253E-02 )
-      ->  Parameter number   12 :                                         Bck_6_pat1     8.7367077    ( +/-    0.57882249     )
-      ->  Parameter number   13 :                                     Sig-0_ph1_pat1     3.5542634    ( +/-    0.46407843     )
-      ->  Parameter number   14 :                                          Zero_pat1    -9.1877327    ( +/-    0.69082811E-01 )
 
  ------------------------------------------------------------------
  => Number of bytes for floating point variables: 4
  => Dimensions of dynamic allocated arrays in this run of FullProf:
  ------------------------------------------------------------------
 
- => Total approximate array memory (dynamic + static): 127459053 bytes
+ => Total approximate array memory (dynamic + static): 132451053 bytes
 
     MaxPOINT=    80000 Max.num. of points(+int. Inten.)/diffraction pattern       
     MaxREFLT=    25000 Max.num. of reflections/diffraction pattern               
@@ -1107,7 +1074,7 @@
     NGL     =      400 Max.num. of global parameters/diffraction pattern          
     N_LINC  =       50 Max.num. of global linear restraints                        
     NAT_P   =       80 Max.num. of atomic parameters per atom                     
-    NCONST  =      500 Max.num. of slack constraints per phase                    
+    NCONST  =     3500 Max.num. of slack constraints per phase                    
     N_SPE   =       30 Max.num. of different chemical species                     
     N_FORM  =       60 Max.num. of scattering factor values in a table            
     NPR     =      150 Max.num. of points defining a numerical profile            
@@ -1116,7 +1083,7 @@
     NSOL    =       10 Max.num. of solutions to be stored in Montecarlo searchs   
 
  
-              CPU Time:     7.414 seconds
-                            0.124 minutes
+              CPU Time:     0.352 seconds
+                            0.006 minutes
 
- => Run finished at:     Date: 06/06/2026  Time: 23:10:55.046                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:04.228                              
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.pcr b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.pcr
index 155d24b81..0e73b7152 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.pcr
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.pcr
@@ -1,11 +1,11 @@
 COMM  Backscattering Bank (2theta= 144.845)  Si- Argonne
-! Current global Chi2 (Bragg contrib.) =      8.051    
+! Current global Chi2 (Bragg contrib.) =      7.991    
 ! Files => DAT-file: arg_si.dat,  PCR-file: arg_si
 !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut
   -1   9   1  -4   2   0   0   0   0   0   0   0   0   0   0   1   0   0   1
 !
 !Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana
-   2   0   1   0   1   0   4   0   0   3  12   1   1   1   2   0   0
+   2   0   1   0   1   0   4   0   0  -3  12   1   1   1   2   0   0
 !
 !  Bkpos        Wdt    Iabscor for Pattern#  1
     7000.000    8.20     2
@@ -17,20 +17,20 @@ COMM  Backscattering Bank (2theta= 144.845)  Si- Argonne
     29999.00    40000.00
 ! 
 !
-      14    !Number of refined parameters
+       0    !Number of refined parameters
 !
 !    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  1
-    -9.18773  141.00  7476.91016    0.00    -1.54000    0.00     0.00000    0.00   144.845
+    -9.18766    0.00  7476.91016    0.00    -1.54000    0.00     0.00000    0.00   144.845
 !
 !   Background coefficients/codes  for Pattern#  1  (Fourier cosine series, up to 18 coefficients)
-     152.737       1.430      37.243      12.115      19.181       3.348
-       21.00       31.00       41.00       61.00       71.00       81.00
+     152.737       1.429      37.243      12.115      19.181       3.348
+        0.00        0.00        0.00        0.00        0.00        0.00
        8.737       0.000       0.000       0.000       0.000       0.000
-      121.00        0.00        0.00        0.00        0.00        0.00
+        0.00        0.00        0.00        0.00        0.00        0.00
        0.000       0.000       0.000       0.000       0.000       0.000
         0.00        0.00        0.00        0.00        0.00        0.00
 !-------------------------------------------------------------------------------
-!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   2.0442
+!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   2.0413
 !-------------------------------------------------------------------------------
 Standard-Si
 !
@@ -40,21 +40,21 @@ Standard-Si
 !
 F d -3 m                 <--Space group symbol
 !Atom   Typ       X        Y        Z     Biso       Occ     In Fin N_t Spc /Codes
-Si     SI      0.12500  0.12500  0.12500  0.52449   1.00000   0   0   0    0  # color green conn Si Si 0 2.5
-                  0.00     0.00     0.00   111.00      0.00
+Si     SI      0.12500  0.12500  0.12500  0.52448   1.00000   0   0   0    0  # color green conn Si Si 0 2.5
+                  0.00     0.00     0.00     0.00      0.00
 !-------> Profile Parameters for Pattern #   1  ----> Phase #   1
 !  Scale          Extinc       Bov      Str1      Str2      Str3    Strain-Mode
- 0.6750988        0.0000    0.0000    0.0000    0.0000    0.0000         0
-      11.00000      0.00      0.00      0.00      0.00      0.00
+ 0.6750847        0.0000    0.0000    0.0000    0.0000    0.0000         0
+       0.00000      0.00      0.00      0.00      0.00      0.00
 !      Sigma-2       Sigma-1       Sigma-0       Sigma-Q   Iso-GStrain     Iso-GSize     Ani-LSize   Size-Model
-        0.0000       33.0418        3.5543        0.0000        0.0000        0.0000        0.0000       0
-          0.00         91.00        131.00          0.00          0.00          0.00          0.00
+        0.0000       33.0419        3.5544        0.0000        0.0000        0.0000        0.0000       0
+          0.00          0.00          0.00          0.00          0.00          0.00          0.00
 !      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
-        0.0000        2.5431        0.0000        0.0000        0.0000
-          0.00        101.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
+        0.0000        2.5430        0.0000        0.0000        0.0000
+          0.00          0.00          0.00          0.00          0.00
+!     a          b         c        alpha      beta       gamma      # Cell Info
    5.431342   5.431342   5.431342  90.000000  90.000000  90.000000   # multiple box -1.15 1.15 -1.15 1.15 -0.15 1.15
-   51.00000   51.00000   51.00000    0.00000    0.00000    0.00000
+    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 !      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
     0.000000    0.000000    0.000000    0.042210    0.597100    0.009460    0.000000    0.000000
         0.00        0.00        0.00        0.00        0.00        0.00        0.00        0.00
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.prf b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.prf
index 5446871a1..d7662801d 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.prf
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.prf
@@ -1,6036 +1,5606 @@
-  Backscattering Bank (2theta= 144.845)  Si- Argonne   Chi2:  2.6694  CELL:    5.43134   5.43134   5.43134   90.0000   90.0000   90.0000   SPGR: F d -3 m               TEMP:      0.00
-  1   5600     1.00000     1.00000    -9.18773  7476.91016    -1.54000    1
-   430     0     2
+  Backscattering Bank (2theta= 144.845)  Si- Argonne    CELL:    5.43134   5.43134   5.43134   90.0000   90.0000   90.0000   SPGR: F d -3 m               TEMP:      0.00
+  1   5600     1.00000     1.00000    -9.18766  7476.91016    -1.54000    1
+  430    0    2
     1000.09998    2000.00000
    29999.00000   40000.00000
- T.O.F.	Yobs	Ycal	Yobs-Ycal	Backg	Posr	(hkl)	K
-   2000.0000	   213.8	   219.2	 -5217.0	   184.7
-   2005.0000	   213.8	   216.7	 -5219.9	   184.6
-   2010.0000	   210.1	   215.9	 -5222.8	   184.5
-   2015.0000	   213.3	   217.0	 -5220.7	   184.4
-   2020.0000	   211.9	   217.5	 -5222.5	   184.3
-   2025.0000	   212.8	   216.0	 -5220.2	   184.2
-   2030.0000	   208.3	   217.7	 -5226.4	   184.2
-   2035.0000	   214.4	   223.8	 -5226.4	   184.1
-   2040.0000	   217.0	   223.8	 -5223.8	   184.0
-   2045.0000	   220.6	   220.1	 -5216.5	   183.9
-   2050.0000	   216.2	   215.8	 -5216.5	   183.8
-   2055.0000	   214.3	   220.7	 -5223.4	   183.7
-   2060.0000	   218.5	   216.9	 -5215.4	   183.6
-   2065.0000	   217.8	   216.3	 -5215.4	   183.5
-   2070.0000	   214.5	   214.4	 -5216.9	   183.4
-   2075.0000	   214.9	   217.4	 -5219.5	   183.3
-   2080.0000	   215.1	   218.1	 -5220.0	   183.2
-   2085.0000	   220.2	   225.6	 -5222.3	   183.1
-   2090.0000	   221.8	   216.4	 -5211.5	   183.0
-   2095.0000	   220.5	   217.6	 -5214.1	   183.0
-   2100.0000	   224.8	   225.5	 -5217.7	   182.9
-   2105.0000	   227.5	   214.9	 -5204.4	   182.8
-   2110.0000	   216.7	   213.4	 -5213.7	   182.7
-   2115.0000	   213.3	   213.6	 -5217.2	   182.6
-   2120.0000	   215.6	   218.5	 -5219.9	   182.5
-   2125.0000	   224.9	   219.5	 -5211.6	   182.4
-   2130.0000	   226.4	   229.7	 -5220.3	   182.3
-   2135.0000	   235.6	   220.1	 -5201.5	   182.2
-   2140.0000	   218.7	   213.8	 -5212.1	   182.1
-   2145.0000	   220.7	   219.8	 -5216.0	   182.0
-   2150.0000	   225.7	   216.4	 -5207.7	   181.9
-   2155.0000	   221.0	   216.6	 -5212.6	   181.8
-   2160.0000	   215.9	   213.6	 -5214.6	   181.7
-   2165.0000	   216.0	   213.7	 -5214.6	   181.6
-   2170.0000	   218.5	   222.6	 -5221.1	   181.5
-   2175.0000	   226.7	   219.8	 -5210.1	   181.4
-   2180.0000	   226.1	   234.5	 -5225.4	   181.3
-   2185.0000	   229.0	   218.4	 -5206.4	   181.2
-   2190.0000	   220.4	   213.3	 -5209.9	   181.1
-   2195.0000	   219.7	   224.3	 -5221.6	   181.0
-   2200.0000	   224.6	   219.5	 -5211.9	   181.0
-   2205.0000	   216.0	   220.8	 -5221.8	   180.9
-   2210.0000	   221.4	   216.0	 -5211.6	   180.8
-   2215.0000	   214.5	   211.8	 -5214.3	   180.7
-   2220.0000	   209.0	   215.8	 -5223.8	   180.6
-   2225.0000	   220.7	   217.8	 -5214.1	   180.5
-   2230.0000	   215.0	   217.5	 -5219.5	   180.4
-   2235.0000	   216.3	   220.3	 -5221.0	   180.3
-   2240.0000	   207.5	   211.8	 -5221.3	   180.2
-   2245.0000	   206.8	   212.8	 -5223.0	   180.1
-   2250.0000	   216.7	   222.5	 -5222.8	   180.0
-   2255.0000	   202.1	   215.1	 -5230.0	   179.9
-   2260.0000	   208.9	   216.5	 -5224.5	   179.8
-   2265.0000	   216.0	   213.1	 -5214.1	   179.7
-   2270.0000	   210.7	   210.8	 -5217.0	   179.6
-   2275.0000	   206.2	   217.8	 -5228.5	   179.5
-   2280.0000	   225.4	   229.4	 -5221.0	   179.4
-   2285.0000	   222.2	   216.1	 -5210.9	   179.3
-   2290.0000	   219.0	   224.1	 -5222.1	   179.2
-   2295.0000	   217.0	   213.5	 -5213.5	   179.1
-   2300.0000	   216.1	   210.1	 -5211.0	   179.0
-   2305.0000	   208.8	   214.7	 -5222.8	   178.9
-   2310.0000	   223.2	   219.9	 -5213.6	   178.8
-   2315.0000	   216.5	   212.6	 -5213.1	   178.7
-   2320.0000	   221.3	   217.3	 -5213.0	   178.6
-   2325.0000	   216.1	   211.6	 -5212.4	   178.5
-   2330.0000	   209.5	   209.8	 -5217.3	   178.4
-   2335.0000	   218.1	   219.6	 -5218.5	   178.3
-   2340.0000	   245.6	   242.7	 -5214.1	   178.2
-   2345.0000	   244.2	   220.6	 -5193.4	   178.1
-   2350.0000	   241.4	   248.2	 -5223.8	   178.0
-   2355.0000	   259.1	   230.9	 -5188.8	   177.9
-   2360.0000	   232.9	   210.3	 -5194.3	   177.8
-   2365.0000	   227.8	   210.5	 -5199.7	   177.7
-   2370.0000	   226.8	   224.7	 -5214.8	   177.6
-   2375.0000	   230.4	   218.9	 -5205.5	   177.5
-   2380.0000	   224.0	   214.9	 -5207.9	   177.4
-   2385.0000	   226.3	   222.2	 -5212.9	   177.3
-   2390.0000	   218.9	   210.5	 -5208.5	   177.2
-   2395.0000	   214.4	   208.2	 -5210.8	   177.1
-   2400.0000	   216.1	   211.7	 -5212.6	   177.0
-   2405.0000	   218.6	   223.6	 -5222.0	   176.9
-   2410.0000	   228.0	   213.1	 -5202.1	   176.8
-   2415.0000	   221.5	   221.2	 -5216.7	   176.7
-   2420.0000	   236.4	   225.3	 -5205.9	   176.6
-   2425.0000	   223.8	   209.6	 -5202.7	   176.5
-   2430.0000	   214.3	   207.7	 -5210.4	   176.4
-   2435.0000	   212.4	   215.1	 -5219.6	   176.3
-   2440.0000	   236.3	   236.8	 -5217.5	   176.2
-   2445.0000	   229.4	   216.3	 -5203.9	   176.1
-   2450.0000	   216.4	   220.3	 -5220.9	   176.0
-   2455.0000	   236.0	   228.8	 -5209.7	   175.9
-   2460.0000	   228.8	   210.0	 -5198.2	   175.8
-   2465.0000	   220.3	   206.8	 -5203.5	   175.7
-   2470.0000	   215.2	   208.1	 -5209.9	   175.5
-   2475.0000	   215.3	   218.4	 -5220.1	   175.4
-   2480.0000	   221.5	   214.0	 -5209.4	   175.3
-   2485.0000	   215.9	   218.3	 -5219.4	   175.2
-   2490.0000	   247.2	   261.1	 -5230.8	   175.1
-   2495.0000	   252.4	   227.4	 -5192.0	   175.0
-   2500.0000	   223.3	   207.6	 -5201.2	   174.9
-   2505.0000	   219.3	   206.5	 -5204.2	   174.8
-   2510.0000	   213.1	   216.0	 -5219.8	   174.7
-   2515.0000	   235.9	   235.3	 -5216.3	   174.6
-   2520.0000	   228.2	   213.2	 -5202.0	   174.5
-   2525.0000	   209.0	   207.3	 -5215.3	   174.4
-   2530.0000	   217.8	   209.1	 -5208.3	   174.3
-   2535.0000	   205.4	   206.1	 -5217.7	   174.2
-   2540.0000	   208.3	   205.3	 -5214.0	   174.1
-   2545.0000	   207.1	   206.2	 -5216.1	   174.0
-   2550.0000	   219.5	   226.3	 -5223.8	   173.9
-   2555.0000	   257.3	   263.5	 -5223.2	   173.8
-   2560.0000	   243.2	   221.4	 -5195.2	   173.7
-   2565.0000	   232.1	   226.7	 -5211.5	   173.6
-   2570.0000	   270.4	   275.5	 -5222.0	   173.5
-   2575.0000	   257.0	   227.7	 -5187.6	   173.4
-   2580.0000	   218.6	   206.4	 -5204.7	   173.3
-   2585.0000	   212.7	   204.8	 -5209.1	   173.1
-   2590.0000	   209.4	   209.9	 -5217.5	   173.0
-   2595.0000	   231.1	   241.2	 -5227.1	   172.9
-   2600.0000	   233.1	   226.8	 -5210.6	   172.8
-   2605.0000	   220.4	   206.1	 -5202.6	   172.7
-   2610.0000	   205.6	   203.7	 -5215.1	   172.6
-   2615.0000	   205.0	   203.4	 -5215.3	   172.5
-   2620.0000	   200.0	   203.2	 -5220.2	   172.4
-   2625.0000	   199.7	   203.1	 -5220.4	   172.3
-   2630.0000	   200.1	   203.3	 -5220.1	   172.2
-   2635.0000	   197.0	   208.2	 -5228.2	   172.1
-   2640.0000	   213.2	   224.1	 -5227.9	   172.0
-   2645.0000	   212.0	   211.7	 -5216.7	   171.9
-   2650.0000	   204.6	   205.3	 -5217.6	   171.8
-   2655.0000	   213.4	   219.2	 -5222.8	   171.7
-   2660.0000	   223.5	   219.6	 -5213.1	   171.6
-   2665.0000	   206.0	   205.1	 -5216.1	   171.4
-   2670.0000	   203.4	   202.7	 -5216.3	   171.3
-   2675.0000	   204.3	   202.8	 -5215.5	   171.2
-   2680.0000	   202.3	   210.0	 -5224.7	   171.1
-   2685.0000	   237.1	   254.6	 -5234.4	   171.0
-   2690.0000	   253.6	   241.1	 -5204.4	   170.9
-   2695.0000	   229.2	   208.4	 -5196.2	   170.8
-   2700.0000	   221.1	   220.4	 -5216.3	   170.7
-   2705.0000	   260.0	   252.5	 -5209.5	   170.6
-   2710.0000	   242.1	   218.9	 -5193.8	   170.5
-   2715.0000	   221.9	   203.4	 -5198.5	   170.4
-   2720.0000	   214.0	   201.9	 -5204.9	   170.3
-   2725.0000	   212.8	   202.3	 -5206.4	   170.2
-   2730.0000	   211.6	   215.0	 -5220.3	   170.0
-   2735.0000	   249.5	   255.3	 -5222.7	   169.9
-   2740.0000	   251.7	   227.3	 -5192.6	   169.8
-   2745.0000	   226.2	   207.3	 -5198.1	   169.7
-   2750.0000	   234.5	   246.1	 -5228.6	   169.6
-   2755.0000	   307.1	   315.1	 -5225.0	   169.5
-   2760.0000	   284.1	   239.5	 -5172.4	   169.4
-   2765.0000	   237.4	   205.2	 -5184.8	   169.3
-   2770.0000	   221.3	   201.3	 -5196.9	   169.2
-   2775.0000	   221.7	   200.9	 -5196.1	   169.1
-   2780.0000	   216.5	   205.5	 -5205.9	   169.0
-   2785.0000	   233.3	   237.6	 -5221.3	   168.9
-   2790.0000	   248.6	   234.1	 -5202.5	   168.7
-   2795.0000	   223.2	   206.2	 -5200.0	   168.6
-   2800.0000	   212.5	   203.9	 -5208.4	   168.5
-   2805.0000	   223.2	   225.4	 -5219.2	   168.4
-   2810.0000	   239.4	   224.0	 -5201.6	   168.3
-   2815.0000	   218.4	   204.0	 -5202.6	   168.2
-   2820.0000	   203.6	   199.9	 -5213.2	   168.1
-   2825.0000	   205.0	   199.5	 -5211.4	   168.0
-   2830.0000	   201.5	   199.9	 -5215.3	   167.9
-   2835.0000	   206.2	   209.5	 -5220.3	   167.8
-   2840.0000	   236.5	   260.2	 -5240.6	   167.6
-   2845.0000	   266.1	   247.5	 -5198.4	   167.5
-   2850.0000	   235.3	   208.7	 -5190.4	   167.4
-   2855.0000	   217.4	   209.4	 -5209.0	   167.3
-   2860.0000	   262.3	   284.3	 -5239.0	   167.2
-   2865.0000	   326.7	   311.9	 -5202.1	   167.1
-   2870.0000	   255.4	   226.9	 -5188.5	   167.0
-   2875.0000	   223.3	   202.3	 -5196.0	   166.9
-   2880.0000	   218.3	   199.0	 -5197.7	   166.8
-   2885.0000	   201.4	   198.6	 -5214.1	   166.7
-   2890.0000	   200.4	   200.3	 -5216.9	   166.5
-   2895.0000	   209.0	   229.4	 -5237.4	   166.4
-   2900.0000	   264.3	   277.1	 -5229.8	   166.3
-   2905.0000	   248.2	   229.6	 -5198.4	   166.2
-   2910.0000	   218.4	   202.4	 -5201.0	   166.1
-   2915.0000	   205.8	   199.5	 -5210.7	   166.0
-   2920.0000	   207.5	   208.1	 -5217.6	   165.9
-   2925.0000	   206.7	   207.9	 -5218.1	   165.8
-   2930.0000	   202.8	   199.2	 -5213.4	   165.7
-   2935.0000	   197.1	   196.9	 -5216.8	   165.6
-   2940.0000	   192.9	   196.5	 -5220.6	   165.4
-   2945.0000	   192.2	   196.5	 -5221.3	   165.3
-   2950.0000	   188.6	   196.9	 -5225.3	   165.2
-   2955.0000	   192.8	   205.5	 -5229.7	   165.1
-   2960.0000	   211.1	   238.1	 -5244.0	   165.0
-   2965.0000	   219.2	   225.7	 -5223.4	   164.9
-   2970.0000	   198.2	   202.6	 -5221.4	   164.8
-   2975.0000	   194.0	   199.2	 -5222.1	   164.7
-   2980.0000	   205.1	   225.4	 -5237.3	   164.6
-   2985.0000	   264.1	   289.8	 -5242.6	   164.4
-   2990.0000	   253.2	   246.4	 -5210.2	   164.3
-   2995.0000	   219.6	   205.5	 -5202.9	   164.2
-   3000.0000	   200.5	   197.3	 -5213.8	   164.1
-   3005.0000	   197.4	   195.9	 -5215.5	   164.0
-   3010.0000	   191.2	   195.8	 -5221.6	   163.9
-   3015.0000	   194.6	   196.8	 -5219.2	   163.8
-   3020.0000	   190.5	   215.2	 -5241.7	   163.7
-   3025.0000	   266.0	   304.0	 -5255.0	   163.5
-   3030.0000	   294.6	   293.7	 -5216.1	   163.4
-   3035.0000	   241.3	   220.2	 -5195.8	   163.3
-   3040.0000	   216.7	   199.8	 -5200.1	   163.2
-   3045.0000	   202.3	   201.3	 -5216.0	   163.1
-   3050.0000	   222.1	   234.3	 -5229.1	   163.0
-   3055.0000	   244.1	   241.4	 -5214.3	   162.9
-   3060.0000	   216.2	   208.3	 -5209.1	   162.8
-   3065.0000	   203.6	   196.7	 -5210.1	   162.6
-   3070.0000	   201.3	   194.5	 -5210.2	   162.5
-   3075.0000	   196.0	   194.2	 -5215.1	   162.4
-   3080.0000	   196.2	   194.3	 -5215.1	   162.3
-   3085.0000	   190.7	   195.5	 -5221.8	   162.2
-   3090.0000	   199.8	   215.2	 -5232.3	   162.1
-   3095.0000	   280.0	   313.3	 -5250.3	   162.0
-   3100.0000	   313.2	   313.2	 -5216.9	   161.9
-   3105.0000	   250.5	   228.5	 -5194.9	   161.7
-   3110.0000	   227.4	   201.2	 -5190.8	   161.6
-   3115.0000	   209.2	   199.5	 -5207.3	   161.5
-   3120.0000	   222.8	   244.1	 -5238.3	   161.4
-   3125.0000	   297.9	   316.5	 -5235.6	   161.3
-   3130.0000	   277.9	   255.6	 -5194.7	   161.2
-   3135.0000	   227.6	   207.1	 -5196.5	   161.1
-   3140.0000	   208.0	   195.5	 -5204.5	   161.0
-   3145.0000	   201.1	   192.9	 -5208.8	   160.8
-   3150.0000	   193.2	   192.2	 -5216.0	   160.7
-   3155.0000	   189.0	   191.9	 -5219.9	   160.6
-   3160.0000	   187.4	   192.0	 -5221.6	   160.5
-   3165.0000	   182.4	   195.9	 -5230.4	   160.4
-   3170.0000	   208.8	   217.1	 -5225.3	   160.3
-   3175.0000	   212.6	   220.5	 -5224.8	   160.2
-   3180.0000	   203.9	   201.1	 -5214.1	   160.1
-   3185.0000	   189.5	   193.6	 -5221.1	   159.9
-   3190.0000	   186.8	   192.5	 -5222.7	   159.8
-   3195.0000	   190.7	   202.0	 -5228.3	   159.7
-   3200.0000	   230.1	   248.1	 -5235.0	   159.6
-   3205.0000	   244.8	   250.1	 -5222.2	   159.5
-   3210.0000	   226.3	   210.3	 -5201.0	   159.4
-   3215.0000	   204.9	   195.2	 -5207.3	   159.3
-   3220.0000	   196.7	   191.6	 -5211.9	   159.2
-   3225.0000	   189.3	   190.8	 -5218.4	   159.0
-   3230.0000	   187.3	   190.6	 -5220.3	   158.9
-   3235.0000	   193.4	   190.8	 -5214.4	   158.8
-   3240.0000	   192.2	   191.7	 -5216.5	   158.7
-   3245.0000	   199.1	   202.7	 -5220.6	   158.6
-   3250.0000	   259.8	   283.0	 -5240.2	   158.5
-   3255.0000	   334.0	   339.4	 -5222.3	   158.4
-   3260.0000	   284.9	   255.8	 -5187.9	   158.2
-   3265.0000	   226.9	   208.0	 -5198.1	   158.1
-   3270.0000	   203.4	   196.1	 -5209.7	   158.0
-   3275.0000	   201.0	   198.6	 -5214.6	   157.9
-   3280.0000	   240.9	   267.0	 -5243.1	   157.8
-   3285.0000	   389.1	   424.7	 -5252.5	   157.7
-   3290.0000	   382.5	   353.4	 -5187.9	   157.6
-   3295.0000	   261.6	   239.8	 -5195.2	   157.4
-   3300.0000	   224.2	   202.6	 -5195.3	   157.3
-   3305.0000	   210.3	   192.8	 -5199.4	   157.2
-   3310.0000	   206.5	   190.0	 -5200.5	   157.1
-   3315.0000	   197.3	   189.1	 -5208.8	   157.0
-   3320.0000	   190.9	   188.8	 -5214.9	   156.9
-   3325.0000	   188.6	   188.9	 -5217.3	   156.8
-   3330.0000	   188.7	   190.7	 -5219.0	   156.7
-   3335.0000	   209.7	   214.6	 -5221.9	   156.5
-   3340.0000	   267.4	   282.7	 -5232.3	   156.4
-   3345.0000	   264.1	   266.1	 -5219.0	   156.3
-   3350.0000	   218.0	   214.8	 -5213.8	   156.2
-   3355.0000	   200.1	   195.5	 -5212.4	   156.1
-   3360.0000	   195.7	   190.4	 -5211.7	   156.0
-   3365.0000	   193.3	   191.5	 -5215.1	   155.9
-   3370.0000	   203.8	   221.3	 -5234.5	   155.7
-   3375.0000	   271.5	   296.7	 -5242.2	   155.6
-   3380.0000	   280.8	   272.7	 -5208.9	   155.5
-   3385.0000	   229.9	   216.7	 -5203.8	   155.4
-   3390.0000	   199.1	   195.5	 -5213.4	   155.3
-   3395.0000	   195.0	   189.2	 -5211.2	   155.2
-   3400.0000	   188.9	   187.3	 -5215.4	   155.1
-   3405.0000	   185.3	   186.7	 -5218.3	   154.9
-   3410.0000	   187.3	   186.5	 -5216.2	   154.8
-   3415.0000	   179.2	   186.6	 -5224.4	   154.7
-   3420.0000	   180.1	   187.0	 -5223.9	   154.6
-   3425.0000	   190.5	   190.0	 -5216.5	   154.5
-   3430.0000	   211.5	   225.7	 -5231.2	   154.4
-   3435.0000	   305.2	   324.6	 -5236.4	   154.3
-   3440.0000	   313.1	   306.7	 -5210.6	   154.1
-   3445.0000	   241.7	   232.1	 -5207.4	   154.0
-   3450.0000	   202.9	   200.7	 -5214.8	   153.9
-   3455.0000	   201.9	   191.3	 -5206.3	   153.8
-   3460.0000	   195.7	   189.4	 -5210.7	   153.7
-   3465.0000	   192.7	   202.6	 -5226.9	   153.6
-   3470.0000	   277.4	   301.9	 -5241.5	   153.5
-   3475.0000	   387.0	   398.5	 -5228.5	   153.3
-   3480.0000	   317.1	   305.7	 -5205.6	   153.2
-   3485.0000	   236.8	   226.6	 -5206.7	   153.1
-   3490.0000	   212.9	   198.4	 -5202.5	   153.0
-   3495.0000	   198.3	   189.3	 -5208.0	   152.9
-   3500.0000	   192.7	   186.2	 -5210.5	   152.8
-   3505.0000	   188.6	   185.1	 -5213.5	   152.7
-   3510.0000	   180.1	   184.8	 -5221.7	   152.6
-   3515.0000	   187.2	   184.9	 -5214.7	   152.4
-   3520.0000	   180.1	   185.4	 -5222.2	   152.3
-   3525.0000	   178.3	   186.8	 -5225.5	   152.2
-   3530.0000	   179.4	   200.1	 -5237.6	   152.1
-   3535.0000	   274.8	   309.8	 -5252.0	   152.0
-   3540.0000	   442.3	   473.6	 -5248.3	   151.9
-   3545.0000	   383.1	   381.8	 -5215.7	   151.8
-   3550.0000	   275.5	   259.2	 -5200.7	   151.6
-   3555.0000	   222.3	   209.7	 -5204.4	   151.5
-   3560.0000	   200.5	   192.7	 -5209.2	   151.4
-   3565.0000	   187.8	   186.9	 -5216.0	   151.3
-   3570.0000	   179.6	   186.0	 -5223.4	   151.2
-   3575.0000	   198.2	   200.1	 -5218.9	   151.1
-   3580.0000	   227.5	   238.5	 -5228.0	   151.0
-   3585.0000	   227.4	   233.5	 -5223.1	   150.8
-   3590.0000	   197.8	   204.2	 -5223.4	   150.7
-   3595.0000	   185.8	   189.9	 -5221.1	   150.6
-   3600.0000	   179.8	   184.6	 -5221.8	   150.5
-   3605.0000	   173.9	   182.7	 -5225.8	   150.4
-   3610.0000	   170.3	   181.9	 -5228.6	   150.3
-   3615.0000	   167.9	   181.6	 -5230.6	   150.2
-   3620.0000	   166.6	   181.4	 -5231.8	   150.0
-   3625.0000	   161.1	   181.4	 -5237.3	   149.9
-   3630.0000	   160.6	   181.5	 -5237.8	   149.8
-   3635.0000	   161.0	   181.8	 -5237.8	   149.7
-   3640.0000	   169.9	   183.0	 -5230.0	   149.6
-   3645.0000	   178.0	   196.4	 -5235.4	   149.5
-   3650.0000	   236.4	   266.2	 -5246.8	   149.4
-   3655.0000	   313.8	   314.7	 -5217.9	   149.3
-   3660.0000	   255.7	   258.5	 -5219.8	   149.1
-   3665.0000	   209.4	   211.8	 -5219.3	   149.0
-   3670.0000	   189.1	   192.8	 -5220.7	   148.9
-   3675.0000	   183.0	   185.9	 -5219.9	   148.8
-   3680.0000	   177.8	   183.9	 -5223.0	   148.7
-   3685.0000	   176.5	   185.0	 -5225.5	   148.6
-   3690.0000	   196.1	   207.8	 -5228.6	   148.5
-   3695.0000	   322.6	   341.6	 -5236.0	   148.3
-   3700.0000	   452.4	   466.1	 -5230.7	   148.2
-   3705.0000	   358.6	   362.4	 -5220.8	   148.1
-   3710.0000	   258.8	   256.1	 -5214.3	   148.0
-   3715.0000	   224.3	   209.8	 -5202.5	   147.9
-   3720.0000	   198.0	   191.5	 -5210.5	   147.8
-   3725.0000	   196.3	   184.2	 -5204.9	   147.7
-   3730.0000	   180.6	   181.2	 -5217.5	   147.5
-   3735.0000	   172.6	   179.8	 -5224.2	   147.4
-   3740.0000	   172.4	   179.2	 -5223.8	   147.3
-   3745.0000	   169.3	   178.9	 -5226.6	   147.2
-   3750.0000	   179.0	   178.8	 -5216.7	   147.1
-   3755.0000	   171.2	   178.8	 -5224.6	   147.0
-   3760.0000	   172.3	   179.1	 -5223.8	   146.9
-   3765.0000	   167.1	   180.5	 -5230.4	   146.8
-   3770.0000	   174.0	   195.5	 -5238.4	   146.6
-   3775.0000	   257.3	   272.3	 -5231.9	   146.5
-   3780.0000	   337.1	   334.5	 -5214.4	   146.4
-   3785.0000	   264.5	   278.1	 -5230.6	   146.3
-   3790.0000	   212.7	   221.6	 -5225.8	   146.2
-   3795.0000	   197.3	   195.7	 -5215.4	   146.1
-   3800.0000	   179.8	   184.9	 -5222.1	   146.0
-   3805.0000	   175.5	   180.3	 -5221.8	   145.9
-   3810.0000	   185.0	   178.3	 -5210.2	   145.7
-   3815.0000	   171.8	   177.3	 -5222.5	   145.6
-   3820.0000	   158.9	   176.8	 -5234.9	   145.5
-   3825.0000	   166.8	   176.4	 -5226.6	   145.4
-   3830.0000	   173.2	   176.2	 -5220.0	   145.3
-   3835.0000	   176.7	   176.0	 -5216.3	   145.2
-   3840.0000	   174.9	   175.9	 -5218.0	   145.1
-   3845.0000	   165.9	   175.8	 -5226.9	   145.0
-   3850.0000	   165.9	   175.7	 -5226.8	   144.8
-   3855.0000	   168.5	   175.8	 -5224.2	   144.7
-   3860.0000	   173.8	   175.7	 -5218.9	   144.6
-   3865.0000	   168.9	   175.6	 -5223.7	   144.5
-   3870.0000	   172.5	   175.6	 -5220.1	   144.4
-   3875.0000	   169.5	   175.6	 -5223.1	   144.3
-   3880.0000	   167.2	   175.7	 -5225.5	   144.2
-   3885.0000	   179.8	   175.8	 -5213.0	   144.1
-   3890.0000	   173.0	   176.1	 -5220.1	   143.9
-   3895.0000	   171.3	   176.6	 -5222.3	   143.8
-   3900.0000	   170.0	   177.6	 -5224.6	   143.7
-   3905.0000	   180.0	   182.0	 -5219.0	   143.6
-   3910.0000	   215.9	   224.5	 -5225.6	   143.5
-   3915.0000	   375.6	   376.2	 -5217.6	   143.4
-   3920.0000	   446.9	   444.9	 -5215.0	   143.3
-   3925.0000	   338.4	   340.7	 -5219.3	   143.2
-   3930.0000	   249.9	   253.2	 -5220.3	   143.0
-   3935.0000	   216.7	   211.1	 -5211.4	   142.9
-   3940.0000	   195.8	   192.3	 -5213.4	   142.8
-   3945.0000	   191.2	   184.1	 -5209.8	   142.7
-   3950.0000	   182.3	   181.0	 -5215.6	   142.6
-   3955.0000	   176.7	   181.0	 -5221.3	   142.5
-   3960.0000	   183.7	   186.1	 -5219.4	   142.4
-   3965.0000	   231.9	   241.7	 -5226.8	   142.3
-   3970.0000	   501.1	   510.7	 -5226.6	   142.2
-   3975.0000	   778.7	   759.3	 -5197.6	   142.0
-   3980.0000	   596.7	   596.2	 -5216.5	   141.9
-   3985.0000	   383.4	   385.1	 -5218.7	   141.8
-   3990.0000	   283.9	   273.6	 -5206.7	   141.7
-   3995.0000	   240.9	   221.0	 -5197.1	   141.6
-   4000.0000	   221.4	   196.3	 -5191.9	   141.5
-   4005.0000	   201.9	   184.5	 -5199.6	   141.4
-   4010.0000	   196.7	   178.8	 -5199.1	   141.3
-   4015.0000	   185.7	   176.0	 -5207.3	   141.2
-   4020.0000	   179.8	   174.6	 -5211.7	   141.0
-   4025.0000	   185.2	   173.8	 -5205.6	   140.9
-   4030.0000	   161.5	   173.4	 -5228.8	   140.8
-   4035.0000	   165.2	   173.2	 -5225.0	   140.7
-   4040.0000	   173.0	   173.2	 -5217.1	   140.6
-   4045.0000	   167.5	   173.3	 -5222.7	   140.5
-   4050.0000	   167.5	   173.7	 -5223.2	   140.4
-   4055.0000	   163.6	   174.8	 -5228.2	   140.3
-   4060.0000	   162.3	   179.5	 -5234.2	   140.2
-   4065.0000	   203.3	   222.3	 -5236.0	   140.0
-   4070.0000	   381.5	   385.9	 -5221.3	   139.9
-   4075.0000	   505.4	   494.7	 -5206.3	   139.8
-   4080.0000	   386.5	   395.5	 -5226.0	   139.7
-   4085.0000	   281.4	   287.2	 -5222.8	   139.6
-   4090.0000	   233.8	   228.8	 -5212.0	   139.5
-   4095.0000	   210.8	   199.9	 -5206.1	   139.4
-   4100.0000	   195.0	   185.5	 -5207.5	   139.3
-   4105.0000	   184.2	   178.5	 -5211.3	   139.2
-   4110.0000	   176.4	   175.2	 -5215.7	   139.1
-   4115.0000	   180.7	   173.8	 -5210.1	   138.9
-   4120.0000	   176.3	   174.0	 -5214.7	   138.8
-   4125.0000	   176.1	   181.2	 -5222.0	   138.7
-   4130.0000	   235.1	   237.1	 -5218.9	   138.6
-   4135.0000	   377.9	   366.1	 -5205.1	   138.5
-   4140.0000	   386.7	   386.5	 -5216.8	   138.4
-   4145.0000	   294.7	   302.7	 -5225.0	   138.3
-   4150.0000	   229.4	   238.5	 -5226.1	   138.2
-   4155.0000	   204.8	   204.6	 -5216.8	   138.1
-   4160.0000	   189.2	   187.3	 -5215.1	   138.0
-   4165.0000	   187.7	   178.5	 -5207.8	   137.9
-   4170.0000	   171.1	   173.9	 -5219.8	   137.7
-   4175.0000	   175.7	   171.5	 -5212.8	   137.6
-   4180.0000	   169.8	   170.2	 -5217.3	   137.5
-   4185.0000	   162.9	   169.4	 -5223.5	   137.4
-   4190.0000	   175.8	   169.0	 -5210.2	   137.3
-   4195.0000	   161.7	   168.7	 -5224.0	   137.2
-   4200.0000	   162.2	   168.6	 -5223.4	   137.1
-   4205.0000	   166.0	   168.5	 -5219.4	   137.0
-   4210.0000	   157.0	   168.5	 -5228.4	   136.9
-   4215.0000	   154.9	   168.5	 -5230.6	   136.8
-   4220.0000	   163.4	   168.7	 -5222.3	   136.7
-   4225.0000	   159.6	   169.2	 -5226.5	   136.5
-   4230.0000	   160.0	   170.0	 -5227.0	   136.4
-   4235.0000	   171.7	   173.4	 -5218.7	   136.3
-   4240.0000	   188.6	   201.9	 -5230.3	   136.2
-   4245.0000	   327.3	   317.8	 -5207.5	   136.1
-   4250.0000	   434.5	   422.1	 -5204.6	   136.0
-   4255.0000	   357.0	   367.5	 -5227.5	   135.9
-   4260.0000	   265.5	   280.9	 -5232.4	   135.8
-   4265.0000	   212.7	   228.1	 -5232.3	   135.7
-   4270.0000	   200.0	   199.7	 -5216.7	   135.6
-   4275.0000	   180.4	   184.6	 -5221.2	   135.5
-   4280.0000	   176.3	   176.6	 -5217.2	   135.4
-   4285.0000	   175.8	   172.3	 -5213.5	   135.3
-   4290.0000	   157.0	   170.2	 -5230.2	   135.1
-   4295.0000	   159.0	   169.3	 -5227.2	   135.0
-   4300.0000	   165.2	   169.3	 -5221.0	   134.9
-   4305.0000	   162.6	   170.8	 -5225.1	   134.8
-   4310.0000	   176.2	   184.7	 -5225.4	   134.7
-   4315.0000	   266.7	   267.5	 -5217.7	   134.6
-   4320.0000	   437.0	   413.0	 -5193.0	   134.5
-   4325.0000	   429.9	   418.3	 -5205.3	   134.4
-   4330.0000	   295.7	   325.1	 -5246.4	   134.3
-   4335.0000	   239.1	   254.2	 -5232.1	   134.2
-   4340.0000	   202.8	   214.2	 -5228.3	   134.1
-   4345.0000	   180.4	   192.2	 -5228.7	   134.0
-   4350.0000	   179.0	   180.1	 -5218.1	   133.9
-   4355.0000	   171.2	   173.4	 -5219.2	   133.8
-   4360.0000	   161.7	   169.7	 -5224.9	   133.7
-   4365.0000	   165.4	   167.5	 -5219.1	   133.5
-   4370.0000	   156.6	   166.3	 -5226.7	   133.4
-   4375.0000	   160.0	   165.6	 -5222.6	   133.3
-   4380.0000	   162.1	   165.1	 -5219.9	   133.2
-   4385.0000	   147.9	   164.8	 -5233.9	   133.1
-   4390.0000	   158.9	   164.6	 -5222.7	   133.0
-   4395.0000	   151.0	   164.6	 -5230.5	   132.9
-   4400.0000	   162.5	   164.5	 -5219.0	   132.8
-   4405.0000	   150.5	   164.7	 -5231.2	   132.7
-   4410.0000	   153.1	   164.9	 -5228.7	   132.6
-   4415.0000	   148.4	   165.2	 -5233.7	   132.5
-   4420.0000	   159.8	   165.6	 -5222.8	   132.4
-   4425.0000	   165.6	   166.5	 -5217.9	   132.3
-   4430.0000	   167.1	   168.2	 -5218.1	   132.2
-   4435.0000	   166.0	   174.3	 -5225.3	   132.1
-   4440.0000	   214.5	   221.8	 -5224.3	   132.0
-   4445.0000	   453.8	   412.8	 -5176.0	   131.9
-   4450.0000	   648.9	   613.6	 -5181.7	   131.8
-   4455.0000	   551.9	   553.2	 -5218.2	   131.7
-   4460.0000	   380.4	   404.4	 -5241.0	   131.5
-   4465.0000	   284.7	   302.2	 -5234.5	   131.4
-   4470.0000	   231.5	   242.9	 -5228.3	   131.3
-   4475.0000	   210.0	   208.9	 -5215.9	   131.2
-   4480.0000	   191.9	   189.5	 -5214.6	   131.1
-   4485.0000	   190.3	   178.4	 -5205.0	   131.0
-   4490.0000	   177.7	   172.0	 -5211.3	   130.9
-   4495.0000	   168.4	   168.5	 -5217.0	   130.8
-   4500.0000	   162.1	   166.5	 -5221.4	   130.7
-   4505.0000	   162.0	   165.7	 -5220.7	   130.6
-   4510.0000	   162.1	   165.7	 -5220.6	   130.5
-   4515.0000	   162.1	   167.2	 -5222.0	   130.4
-   4520.0000	   170.1	   178.3	 -5225.1	   130.3
-   4525.0000	   245.9	   250.4	 -5221.5	   130.2
-   4530.0000	   452.3	   419.4	 -5184.0	   130.1
-   4535.0000	   512.4	   485.9	 -5190.4	   130.0
-   4540.0000	   372.4	   397.7	 -5242.3	   129.9
-   4545.0000	   275.5	   304.1	 -5245.6	   129.8
-   4550.0000	   222.0	   245.2	 -5240.1	   129.7
-   4555.0000	   205.7	   210.5	 -5221.8	   129.6
-   4560.0000	   187.2	   190.1	 -5219.9	   129.5
-   4565.0000	   180.2	   178.1	 -5214.8	   129.4
-   4570.0000	   176.6	   170.9	 -5211.3	   129.3
-   4575.0000	   162.2	   166.7	 -5221.5	   129.2
-   4580.0000	   152.7	   164.2	 -5228.4	   129.1
-   4585.0000	   156.7	   162.4	 -5222.7	   129.0
-   4590.0000	   156.4	   161.5	 -5222.0	   128.9
-   4595.0000	   154.4	   160.8	 -5223.4	   128.8
-   4600.0000	   148.9	   160.4	 -5228.5	   128.7
-   4605.0000	   151.0	   160.2	 -5226.1	   128.6
-   4610.0000	   157.3	   160.0	 -5219.6	   128.5
-   4615.0000	   155.1	   159.8	 -5221.7	   128.4
-   4620.0000	   147.4	   159.8	 -5229.3	   128.3
-   4625.0000	   147.6	   159.7	 -5229.1	   128.2
-   4630.0000	   153.4	   159.7	 -5223.3	   128.1
-   4635.0000	   145.8	   159.8	 -5231.0	   128.0
-   4640.0000	   148.0	   159.9	 -5228.9	   127.9
-   4645.0000	   156.1	   160.2	 -5221.1	   127.8
-   4650.0000	   154.0	   160.8	 -5223.8	   127.7
-   4655.0000	   152.7	   161.6	 -5225.9	   127.6
-   4660.0000	   156.1	   163.0	 -5223.9	   127.5
-   4665.0000	   147.2	   166.8	 -5236.6	   127.4
-   4670.0000	   188.7	   192.9	 -5221.2	   127.3
-   4675.0000	   345.8	   321.8	 -5193.0	   127.2
-   4680.0000	   585.9	   538.7	 -5169.8	   127.1
-   4685.0000	   607.8	   574.5	 -5183.7	   127.0
-   4690.0000	   414.3	   453.3	 -5256.0	   126.9
-   4695.0000	   309.2	   341.9	 -5249.7	   126.8
-   4700.0000	   247.3	   270.7	 -5240.3	   126.7
-   4705.0000	   218.5	   227.0	 -5225.5	   126.6
-   4710.0000	   196.1	   200.4	 -5221.3	   126.5
-   4715.0000	   181.1	   184.2	 -5220.1	   126.4
-   4720.0000	   177.2	   174.4	 -5214.1	   126.3
-   4725.0000	   156.1	   168.4	 -5229.3	   126.2
-   4730.0000	   164.1	   164.8	 -5217.7	   126.1
-   4735.0000	   148.0	   162.7	 -5231.7	   126.0
-   4740.0000	   154.6	   161.7	 -5224.0	   125.9
-   4745.0000	   151.3	   161.3	 -5227.0	   125.8
-   4750.0000	   157.2	   161.7	 -5221.5	   125.7
-   4755.0000	   154.0	   162.9	 -5225.9	   125.6
-   4760.0000	   155.7	   166.3	 -5227.6	   125.5
-   4765.0000	   175.8	   185.9	 -5227.1	   125.4
-   4770.0000	   314.3	   303.5	 -5206.2	   125.3
-   4775.0000	   680.9	   592.0	 -5128.1	   125.2
-   4780.0000	   812.7	   756.0	 -5160.3	   125.1
-   4785.0000	   614.2	   637.8	 -5240.6	   125.0
-   4790.0000	   412.7	   470.0	 -5274.2	   124.9
-   4795.0000	   317.0	   353.0	 -5253.0	   124.8
-   4800.0000	   257.1	   279.2	 -5239.1	   124.7
-   4805.0000	   220.8	   233.1	 -5229.3	   124.6
-   4810.0000	   202.4	   204.3	 -5218.8	   124.5
-   4815.0000	   188.9	   186.2	 -5214.3	   124.4
-   4820.0000	   186.1	   174.8	 -5205.7	   124.3
-   4825.0000	   179.5	   167.7	 -5205.2	   124.2
-   4830.0000	   157.5	   163.2	 -5222.7	   124.1
-   4835.0000	   159.9	   160.3	 -5217.4	   124.0
-   4840.0000	   159.2	   158.4	 -5216.2	   123.9
-   4845.0000	   155.1	   157.2	 -5219.1	   123.8
-   4850.0000	   148.0	   156.3	 -5225.3	   123.7
-   4855.0000	   151.0	   155.8	 -5221.7	   123.6
-   4860.0000	   146.0	   155.3	 -5226.3	   123.5
-   4865.0000	   149.9	   155.0	 -5222.1	   123.4
-   4870.0000	   143.4	   154.8	 -5228.4	   123.3
-   4875.0000	   147.4	   154.6	 -5224.2	   123.2
-   4880.0000	   152.3	   154.5	 -5219.1	   123.1
-   4885.0000	   150.0	   154.3	 -5221.3	   123.1
-   4890.0000	   148.4	   154.2	 -5222.8	   123.0
-   4895.0000	   147.4	   154.1	 -5223.7	   122.9
-   4900.0000	   146.6	   154.1	 -5224.5	   122.8
-   4905.0000	   140.0	   154.1	 -5231.0	   122.7
-   4910.0000	   148.6	   154.1	 -5222.5	   122.6
-   4915.0000	   141.0	   153.9	 -5229.9	   122.5
-   4920.0000	   140.2	   154.1	 -5230.8	   122.4
-   4925.0000	   152.0	   154.4	 -5219.4	   122.3
-   4930.0000	   143.9	   155.0	 -5228.0	   122.2
-   4935.0000	   141.3	   156.4	 -5232.0	   122.1
-   4940.0000	   155.6	   163.8	 -5225.1	   122.0
-   4945.0000	   203.6	   205.9	 -5219.2	   121.9
-   4950.0000	   334.4	   310.5	 -5193.1	   121.8
-   4955.0000	   397.3	   380.2	 -5199.9	   121.7
-   4960.0000	   327.1	   345.9	 -5235.7	   121.6
-   4965.0000	   254.5	   284.1	 -5246.6	   121.5
-   4970.0000	   221.9	   238.1	 -5233.2	   121.5
-   4975.0000	   197.5	   207.8	 -5227.3	   121.4
-   4980.0000	   168.8	   188.2	 -5236.3	   121.3
-   4985.0000	   174.3	   175.4	 -5218.1	   121.2
-   4990.0000	   173.5	   167.2	 -5210.6	   121.1
-   4995.0000	   158.5	   161.8	 -5220.3	   121.0
-   5000.0000	   156.7	   158.3	 -5218.6	   120.9
-   5005.0000	   156.8	   156.0	 -5216.2	   120.8
-   5010.0000	   148.9	   154.5	 -5222.6	   120.7
-   5015.0000	   158.0	   153.5	 -5212.5	   120.6
-   5020.0000	   145.7	   152.8	 -5224.1	   120.5
-   5025.0000	   154.9	   152.4	 -5214.5	   120.4
-   5030.0000	   143.2	   152.1	 -5225.9	   120.3
-   5035.0000	   148.4	   152.0	 -5220.6	   120.3
-   5040.0000	   150.0	   152.0	 -5219.0	   120.2
-   5045.0000	   155.4	   152.2	 -5213.8	   120.1
-   5050.0000	   142.2	   152.9	 -5227.7	   120.0
-   5055.0000	   158.0	   157.3	 -5216.3	   119.9
-   5060.0000	   192.7	   181.1	 -5205.3	   119.8
-   5065.0000	   252.4	   237.3	 -5201.9	   119.7
-   5070.0000	   296.7	   274.1	 -5194.4	   119.6
-   5075.0000	   259.9	   256.8	 -5213.8	   119.5
-   5080.0000	   220.0	   224.2	 -5221.2	   119.4
-   5085.0000	   194.2	   199.3	 -5222.1	   119.3
-   5090.0000	   174.5	   182.5	 -5225.0	   119.3
-   5095.0000	   171.5	   171.3	 -5216.8	   119.2
-   5100.0000	   160.3	   163.9	 -5220.6	   119.1
-   5105.0000	   160.0	   159.0	 -5216.0	   119.0
-   5110.0000	   167.5	   155.8	 -5205.2	   118.9
-   5115.0000	   151.6	   153.6	 -5219.0	   118.8
-   5120.0000	   157.4	   152.1	 -5211.7	   118.7
-   5125.0000	   150.9	   151.1	 -5217.2	   118.6
-   5130.0000	   150.9	   150.4	 -5216.5	   118.5
-   5135.0000	   145.5	   149.9	 -5221.4	   118.4
-   5140.0000	   147.3	   149.9	 -5219.6	   118.4
-   5145.0000	   149.0	   149.7	 -5217.6	   118.3
-   5150.0000	   149.1	   149.5	 -5217.3	   118.2
-   5155.0000	   151.2	   149.3	 -5215.1	   118.1
-   5160.0000	   146.6	   149.2	 -5219.6	   118.0
-   5165.0000	   152.0	   149.1	 -5214.1	   117.9
-   5170.0000	   141.3	   149.0	 -5224.7	   117.8
-   5175.0000	   141.9	   149.0	 -5224.1	   117.7
-   5180.0000	   145.3	   148.9	 -5220.6	   117.7
-   5185.0000	   146.8	   148.9	 -5219.1	   117.6
-   5190.0000	   137.9	   148.9	 -5228.0	   117.5
-   5195.0000	   146.6	   148.9	 -5219.3	   117.4
-   5200.0000	   146.0	   148.9	 -5219.9	   117.3
-   5205.0000	   146.5	   149.0	 -5219.4	   117.2
-   5210.0000	   145.9	   149.0	 -5220.1	   117.1
-   5215.0000	   141.2	   149.1	 -5224.9	   117.0
-   5220.0000	   144.6	   149.3	 -5221.6	   117.0
-   5225.0000	   142.7	   149.5	 -5223.8	   116.9
-   5230.0000	   146.3	   149.8	 -5220.5	   116.8
-   5235.0000	   144.2	   150.3	 -5223.1	   116.7
-   5240.0000	   151.5	   151.0	 -5216.5	   116.6
-   5245.0000	   147.7	   152.0	 -5221.3	   116.5
-   5250.0000	   152.5	   153.5	 -5218.0	   116.4
-   5255.0000	   154.1	   156.1	 -5218.9	   116.4
-   5260.0000	   161.9	   161.7	 -5216.8	   116.3
-   5265.0000	   175.9	   189.6	 -5230.7	   116.2
-   5270.0000	   363.7	   334.1	 -5187.4	   116.1
-   5275.0000	   814.7	   696.5	 -5098.7	   116.0
-   5280.0000	  1137.7	   994.9	 -5074.1	   115.9
-   5285.0000	   957.3	   934.7	 -5194.3	   115.8
-   5290.0000	   665.7	   723.4	 -5274.7	   115.8
-   5295.0000	   490.7	   544.0	 -5270.3	   115.7
-   5300.0000	   377.6	   418.3	 -5257.7	   115.6
-   5305.0000	   321.0	   332.3	 -5228.3	   115.5
-   5310.0000	   267.7	   273.7	 -5223.0	   115.4
-   5315.0000	   238.6	   233.7	 -5212.1	   115.3
-   5320.0000	   215.3	   206.6	 -5208.3	   115.3
-   5325.0000	   194.4	   188.1	 -5210.7	   115.2
-   5330.0000	   176.5	   175.5	 -5216.0	   115.1
-   5335.0000	   175.9	   167.0	 -5208.0	   115.0
-   5340.0000	   169.6	   161.2	 -5208.5	   114.9
-   5345.0000	   162.4	   157.2	 -5211.8	   114.8
-   5350.0000	   155.8	   154.6	 -5215.8	   114.8
-   5355.0000	   160.8	   152.9	 -5209.1	   114.7
-   5360.0000	   155.3	   151.9	 -5213.5	   114.6
-   5365.0000	   145.4	   151.3	 -5222.9	   114.5
-   5370.0000	   151.7	   151.2	 -5216.5	   114.4
-   5375.0000	   149.6	   151.5	 -5218.9	   114.3
-   5380.0000	   144.2	   152.3	 -5225.1	   114.3
-   5385.0000	   145.2	   153.6	 -5225.4	   114.2
-   5390.0000	   159.1	   155.9	 -5213.8	   114.1
-   5395.0000	   146.8	   159.8	 -5230.0	   114.0
-   5400.0000	   167.3	   169.4	 -5219.1	   113.9
-   5405.0000	   206.8	   218.3	 -5228.4	   113.9
-   5410.0000	   497.0	   451.3	 -5171.3	   113.8
-   5415.0000	  1148.0	   985.2	 -5054.2	   113.7
-   5420.0000	  1541.8	  1392.2	 -5067.4	   113.6
-   5425.0000	  1333.8	  1298.8	 -5182.0	   113.5
-   5430.0000	   924.9	  1000.9	 -5292.9	   113.4
-   5435.0000	   673.8	   744.7	 -5287.9	   113.4
-   5440.0000	   501.6	   561.9	 -5277.2	   113.3
-   5445.0000	   411.6	   434.4	 -5239.8	   113.2
-   5450.0000	   345.3	   345.9	 -5217.5	   113.1
-   5455.0000	   281.8	   284.5	 -5219.6	   113.0
-   5460.0000	   252.4	   241.9	 -5206.5	   113.0
-   5465.0000	   220.3	   212.4	 -5209.0	   112.9
-   5470.0000	   205.8	   191.8	 -5203.0	   112.8
-   5475.0000	   185.0	   177.6	 -5209.5	   112.7
-   5480.0000	   180.5	   167.6	 -5204.1	   112.7
-   5485.0000	   168.2	   160.6	 -5209.4	   112.6
-   5490.0000	   159.4	   155.7	 -5213.3	   112.5
-   5495.0000	   153.9	   152.3	 -5215.3	   112.4
-   5500.0000	   160.2	   149.8	 -5206.6	   112.3
-   5505.0000	   152.0	   148.0	 -5213.0	   112.3
-   5510.0000	   151.3	   146.7	 -5212.4	   112.2
-   5515.0000	   152.1	   145.8	 -5210.7	   112.1
-   5520.0000	   152.8	   145.1	 -5209.2	   112.0
-   5525.0000	   139.7	   144.5	 -5221.8	   111.9
-   5530.0000	   147.5	   144.1	 -5213.6	   111.9
-   5535.0000	   143.8	   144.1	 -5217.3	   111.8
-   5540.0000	   142.3	   143.8	 -5218.5	   111.7
-   5545.0000	   149.8	   143.6	 -5210.8	   111.6
-   5550.0000	   144.8	   143.5	 -5215.6	   111.6
-   5555.0000	   141.8	   143.3	 -5218.5	   111.5
-   5560.0000	   141.4	   143.2	 -5218.8	   111.4
-   5565.0000	   143.9	   142.3	 -5215.4	   111.3
-   5570.0000	   143.8	   142.3	 -5215.5	   111.3
-   5575.0000	   141.3	   142.3	 -5218.0	   111.2
-   5580.0000	   139.3	   142.3	 -5220.0	   111.1
-   5585.0000	   139.5	   142.3	 -5219.8	   111.0
-   5590.0000	   143.8	   142.3	 -5215.5	   110.9
-   5595.0000	   143.6	   142.3	 -5215.7	   110.9
-   5600.0000	   144.5	   142.4	 -5214.8	   110.8
-   5605.0000	   139.8	   142.4	 -5219.6	   110.7
-   5610.0000	   128.7	   142.5	 -5230.8	   110.6
-   5615.0000	   138.2	   142.6	 -5221.4	   110.6
-   5620.0000	   140.1	   142.8	 -5219.7	   110.5
-   5625.0000	   136.4	   143.1	 -5223.7	   110.4
-   5630.0000	   138.3	   143.4	 -5222.1	   110.3
-   5635.0000	   142.0	   143.9	 -5218.9	   110.3
-   5640.0000	   142.6	   144.6	 -5219.0	   110.2
-   5645.0000	   137.5	   145.7	 -5225.1	   110.1
-   5650.0000	   147.2	   147.2	 -5217.0	   110.0
-   5655.0000	   144.0	   149.9	 -5222.9	   110.0
-   5660.0000	   155.1	   157.1	 -5219.0	   109.9
-   5665.0000	   198.5	   193.8	 -5212.3	   109.8
-   5670.0000	   381.0	   346.8	 -5182.8	   109.8
-   5675.0000	   737.6	   658.4	 -5137.8	   109.7
-   5680.0000	   982.4	   880.1	 -5114.7	   109.6
-   5685.0000	   852.7	   830.1	 -5194.4	   109.5
-   5690.0000	   629.4	   665.7	 -5253.3	   109.5
-   5695.0000	   459.6	   519.1	 -5276.5	   109.4
-   5700.0000	   375.4	   411.1	 -5252.6	   109.3
-   5705.0000	   316.3	   333.7	 -5234.4	   109.2
-   5710.0000	   268.7	   278.3	 -5226.6	   109.2
-   5715.0000	   245.9	   238.8	 -5209.9	   109.1
-   5720.0000	   218.5	   210.7	 -5209.1	   109.0
-   5725.0000	   204.8	   190.6	 -5202.8	   109.0
-   5730.0000	   180.0	   176.3	 -5213.3	   108.9
-   5735.0000	   180.6	   166.0	 -5202.4	   108.8
-   5740.0000	   171.4	   158.7	 -5204.3	   108.7
-   5745.0000	   160.9	   153.5	 -5209.6	   108.7
-   5750.0000	   163.2	   149.7	 -5203.5	   108.6
-   5755.0000	   161.6	   147.0	 -5202.4	   108.5
-   5760.0000	   148.9	   145.0	 -5213.1	   108.5
-   5765.0000	   150.1	   143.6	 -5210.5	   108.4
-   5770.0000	   148.3	   142.5	 -5211.2	   108.3
-   5775.0000	   145.1	   141.8	 -5213.6	   108.2
-   5780.0000	   145.0	   141.2	 -5213.2	   108.2
-   5785.0000	   141.4	   140.8	 -5216.4	   108.1
-   5790.0000	   146.5	   140.5	 -5211.0	   108.0
-   5795.0000	   141.4	   140.3	 -5215.9	   108.0
-   5800.0000	   135.4	   140.2	 -5221.8	   107.9
-   5805.0000	   139.0	   140.2	 -5218.1	   107.8
-   5810.0000	   138.8	   140.2	 -5218.4	   107.8
-   5815.0000	   135.1	   140.4	 -5222.2	   107.7
-   5820.0000	   134.3	   140.6	 -5223.3	   107.6
-   5825.0000	   137.7	   141.2	 -5220.4	   107.6
-   5830.0000	   143.1	   141.7	 -5215.6	   107.5
-   5835.0000	   139.4	   144.7	 -5222.2	   107.4
-   5840.0000	   153.8	   159.7	 -5222.9	   107.4
-   5845.0000	   232.3	   218.3	 -5202.9	   107.3
-   5850.0000	   355.1	   331.9	 -5193.8	   107.2
-   5855.0000	   439.6	   412.4	 -5189.8	   107.1
-   5860.0000	   409.8	   397.0	 -5204.1	   107.1
-   5865.0000	   322.7	   338.7	 -5232.9	   107.0
-   5870.0000	   267.0	   284.9	 -5234.9	   106.9
-   5875.0000	   233.8	   244.5	 -5227.7	   106.9
-   5880.0000	   203.2	   215.0	 -5228.8	   106.8
-   5885.0000	   181.5	   193.6	 -5229.1	   106.7
-   5890.0000	   182.3	   178.1	 -5212.8	   106.7
-   5895.0000	   172.2	   166.9	 -5211.6	   106.6
-   5900.0000	   156.7	   158.7	 -5219.0	   106.5
-   5905.0000	   149.0	   152.8	 -5220.7	   106.5
-   5910.0000	   150.2	   148.5	 -5215.2	   106.4
-   5915.0000	   148.3	   145.3	 -5214.0	   106.3
-   5920.0000	   146.5	   143.0	 -5213.5	   106.3
-   5925.0000	   133.6	   141.3	 -5224.7	   106.2
-   5930.0000	   140.5	   140.1	 -5216.6	   106.1
-   5935.0000	   131.4	   139.2	 -5224.8	   106.1
-   5940.0000	   130.6	   138.5	 -5224.9	   106.0
-   5945.0000	   142.0	   138.0	 -5212.9	   106.0
-   5950.0000	   131.1	   137.6	 -5223.4	   105.9
-   5955.0000	   135.9	   137.2	 -5218.3	   105.8
-   5960.0000	   138.1	   137.0	 -5215.9	   105.8
-   5965.0000	   142.7	   136.8	 -5211.0	   105.7
-   5970.0000	   136.0	   136.6	 -5217.6	   105.6
-   5975.0000	   127.7	   136.5	 -5225.7	   105.6
-   5980.0000	   130.3	   136.3	 -5223.0	   105.5
-   5985.0000	   128.3	   136.2	 -5224.9	   105.4
-   5990.0000	   136.3	   136.1	 -5216.8	   105.4
-   5995.0000	   132.9	   136.0	 -5220.1	   105.3
-   6000.0000	   137.2	   135.9	 -5215.7	   105.3
-   6005.0000	   134.0	   135.8	 -5218.8	   105.2
-   6010.0000	   133.7	   135.6	 -5218.9	   105.1
-   6015.0000	   133.1	   135.5	 -5219.4	   105.1
-   6020.0000	   132.9	   135.5	 -5219.5	   105.0
-   6025.0000	   140.3	   135.4	 -5212.1	   104.9
-   6030.0000	   131.7	   135.3	 -5220.6	   104.9
-   6035.0000	   137.4	   135.5	 -5215.1	   104.8
-   6040.0000	   134.1	   135.5	 -5218.4	   104.8
-   6045.0000	   134.6	   135.5	 -5217.8	   104.7
-   6050.0000	   132.8	   135.4	 -5219.6	   104.6
-   6055.0000	   140.9	   135.4	 -5211.5	   104.6
-   6060.0000	   143.9	   135.3	 -5208.4	   104.5
-   6065.0000	   133.2	   135.3	 -5219.1	   104.4
-   6070.0000	   135.6	   135.3	 -5216.7	   104.4
-   6075.0000	   137.8	   135.3	 -5214.4	   104.3
-   6080.0000	   139.6	   135.2	 -5212.6	   104.3
-   6085.0000	   133.1	   135.2	 -5219.1	   104.2
-   6090.0000	   136.4	   135.2	 -5215.8	   104.1
-   6095.0000	   139.2	   135.2	 -5213.0	   104.1
-   6100.0000	   130.1	   135.2	 -5222.1	   104.0
-   6105.0000	   129.4	   135.3	 -5222.9	   104.0
-   6110.0000	   131.9	   135.3	 -5220.4	   103.9
-   6115.0000	   144.3	   135.4	 -5208.1	   103.8
-   6120.0000	   137.5	   135.5	 -5215.0	   103.8
-   6125.0000	   135.3	   135.6	 -5217.3	   103.7
-   6130.0000	   140.0	   135.8	 -5212.8	   103.7
-   6135.0000	   137.7	   136.1	 -5215.3	   103.6
-   6140.0000	   135.7	   136.4	 -5217.7	   103.5
-   6145.0000	   135.8	   136.9	 -5218.1	   103.5
-   6150.0000	   135.0	   137.6	 -5219.6	   103.4
-   6155.0000	   139.2	   138.7	 -5216.5	   103.4
-   6160.0000	   139.0	   140.5	 -5218.5	   103.3
-   6165.0000	   148.8	   145.3	 -5213.5	   103.3
-   6170.0000	   162.4	   166.8	 -5221.4	   103.2
-   6175.0000	   272.7	   251.3	 -5195.6	   103.1
-   6180.0000	   478.6	   435.9	 -5174.2	   103.1
-   6185.0000	   651.9	   612.1	 -5177.2	   103.0
-   6190.0000	   662.0	   634.3	 -5189.3	   103.0
-   6195.0000	   539.9	   547.4	 -5224.4	   102.9
-   6200.0000	   421.9	   447.5	 -5242.5	   102.9
-   6205.0000	   344.5	   367.4	 -5239.8	   102.8
-   6210.0000	   302.2	   307.2	 -5221.9	   102.7
-   6215.0000	   264.8	   262.3	 -5214.5	   102.7
-   6220.0000	   228.6	   229.0	 -5217.4	   102.6
-   6225.0000	   217.1	   204.4	 -5204.2	   102.6
-   6230.0000	   192.4	   186.0	 -5210.6	   102.5
-   6235.0000	   176.5	   172.5	 -5212.9	   102.5
-   6240.0000	   172.5	   162.4	 -5206.9	   102.4
-   6245.0000	   158.1	   154.9	 -5213.8	   102.3
-   6250.0000	   156.4	   149.4	 -5209.9	   102.3
-   6255.0000	   151.8	   145.2	 -5210.4	   102.2
-   6260.0000	   144.7	   142.7	 -5215.0	   102.2
-   6265.0000	   139.7	   140.5	 -5217.7	   102.1
-   6270.0000	   155.7	   138.8	 -5200.0	   102.1
-   6275.0000	   139.1	   137.5	 -5215.4	   102.0
-   6280.0000	   138.5	   136.6	 -5215.0	   102.0
-   6285.0000	   137.9	   135.9	 -5214.9	   101.9
-   6290.0000	   131.2	   135.3	 -5221.1	   101.9
-   6295.0000	   131.5	   134.9	 -5220.4	   101.8
-   6300.0000	   128.5	   134.7	 -5223.1	   101.7
-   6305.0000	   129.6	   134.5	 -5221.8	   101.7
-   6310.0000	   138.0	   134.3	 -5213.3	   101.6
-   6315.0000	   134.6	   134.3	 -5216.6	   101.6
-   6320.0000	   127.8	   134.2	 -5223.4	   101.5
-   6325.0000	   139.0	   134.3	 -5212.2	   101.5
-   6330.0000	   128.3	   134.3	 -5223.0	   101.4
-   6335.0000	   136.8	   134.5	 -5214.6	   101.4
-   6340.0000	   128.0	   134.6	 -5223.6	   101.3
-   6345.0000	   130.5	   134.5	 -5221.0	   101.3
-   6350.0000	   141.8	   134.9	 -5210.1	   101.2
-   6355.0000	   130.4	   135.3	 -5221.9	   101.2
-   6360.0000	   137.4	   135.9	 -5215.5	   101.1
-   6365.0000	   137.4	   136.7	 -5216.3	   101.1
-   6370.0000	   135.8	   137.8	 -5219.0	   101.0
-   6375.0000	   143.6	   139.3	 -5212.6	   101.0
-   6380.0000	   134.6	   141.4	 -5223.8	   100.9
-   6385.0000	   147.7	   144.7	 -5214.0	   100.9
-   6390.0000	   158.0	   151.1	 -5210.1	   100.8
-   6395.0000	   177.4	   173.4	 -5213.0	   100.8
-   6400.0000	   289.0	   271.5	 -5199.5	   100.7
-   6405.0000	   637.6	   562.6	 -5142.0	   100.7
-   6410.0000	  1135.5	  1014.4	 -5095.8	   100.6
-   6415.0000	  1368.3	  1287.1	 -5135.8	   100.6
-   6420.0000	  1250.7	  1221.2	 -5187.4	   100.5
-   6425.0000	   988.7	  1004.3	 -5232.6	   100.5
-   6430.0000	   756.9	   795.7	 -5255.8	   100.4
-   6435.0000	   621.9	   632.0	 -5227.1	   100.4
-   6440.0000	   503.1	   507.9	 -5221.8	   100.3
-   6445.0000	   417.2	   414.4	 -5214.2	   100.3
-   6450.0000	   346.5	   344.1	 -5214.6	   100.2
-   6455.0000	   312.4	   291.3	 -5195.9	   100.2
-   6460.0000	   271.4	   251.7	 -5197.3	   100.1
-   6465.0000	   238.2	   221.9	 -5200.7	   100.1
-   6470.0000	   223.0	   199.6	 -5193.5	   100.0
-   6475.0000	   192.2	   182.8	 -5207.6	   100.0
-   6480.0000	   187.5	   170.2	 -5199.6	    99.9
-   6485.0000	   160.0	   160.7	 -5217.6	    99.9
-   6490.0000	   164.0	   153.5	 -5206.5	    99.8
-   6495.0000	   161.8	   148.1	 -5203.3	    99.8
-   6500.0000	   147.3	   144.0	 -5213.7	    99.7
-   6505.0000	   150.3	   140.9	 -5207.6	    99.7
-   6510.0000	   138.1	   138.5	 -5217.4	    99.6
-   6515.0000	   143.8	   136.7	 -5209.9	    99.6
-   6520.0000	   137.1	   135.3	 -5215.2	    99.5
-   6525.0000	   143.9	   134.2	 -5207.3	    99.5
-   6530.0000	   143.2	   133.4	 -5207.2	    99.4
-   6535.0000	   138.4	   132.7	 -5211.3	    99.4
-   6540.0000	   140.2	   132.2	 -5209.0	    99.4
-   6545.0000	   130.7	   131.8	 -5218.1	    99.3
-   6550.0000	   132.1	   131.4	 -5216.3	    99.3
-   6555.0000	   139.2	   131.2	 -5208.9	    99.2
-   6560.0000	   132.6	   130.9	 -5215.3	    99.2
-   6565.0000	   139.0	   130.7	 -5208.7	    99.1
-   6570.0000	   125.2	   130.6	 -5222.3	    99.1
-   6575.0000	   136.9	   129.5	 -5209.6	    99.0
-   6580.0000	   137.8	   129.4	 -5208.6	    99.0
-   6585.0000	   142.9	   129.4	 -5203.5	    98.9
-   6590.0000	   129.2	   129.4	 -5217.1	    98.9
-   6595.0000	   128.6	   129.3	 -5217.7	    98.9
-   6600.0000	   125.3	   129.3	 -5220.9	    98.8
-   6605.0000	   131.3	   129.2	 -5214.9	    98.8
-   6610.0000	   131.3	   129.2	 -5214.9	    98.7
-   6615.0000	   122.1	   129.1	 -5224.0	    98.7
-   6620.0000	   132.1	   129.1	 -5214.0	    98.6
-   6625.0000	   137.4	   129.1	 -5208.6	    98.6
-   6630.0000	   123.9	   129.0	 -5222.1	    98.5
-   6635.0000	   133.2	   129.0	 -5212.7	    98.5
-   6640.0000	   129.3	   128.9	 -5216.6	    98.5
-   6645.0000	   131.6	   128.9	 -5214.3	    98.4
-   6650.0000	   134.4	   128.8	 -5211.4	    98.4
-   6655.0000	   128.9	   128.8	 -5216.9	    98.3
-   6660.0000	   130.4	   128.8	 -5215.3	    98.3
-   6665.0000	   129.7	   128.7	 -5216.0	    98.2
-   6670.0000	   121.4	   128.7	 -5224.2	    98.2
-   6675.0000	   133.3	   128.6	 -5212.3	    98.2
-   6680.0000	   118.6	   128.6	 -5227.0	    98.1
-   6685.0000	   125.5	   128.5	 -5220.0	    98.1
-   6690.0000	   134.0	   128.5	 -5211.5	    98.0
-   6695.0000	   123.5	   129.3	 -5222.7	    98.0
-   6700.0000	   130.8	   129.3	 -5215.5	    98.0
-   6705.0000	   125.3	   129.3	 -5221.0	    97.9
-   6710.0000	   131.2	   129.3	 -5215.1	    97.9
-   6715.0000	   118.7	   129.3	 -5227.6	    97.8
-   6720.0000	   126.6	   129.4	 -5219.7	    97.8
-   6725.0000	   124.4	   129.4	 -5222.0	    97.7
-   6730.0000	   124.8	   129.5	 -5221.6	    97.7
-   6735.0000	   124.2	   129.5	 -5222.3	    97.7
-   6740.0000	   131.2	   129.6	 -5215.4	    97.6
-   6745.0000	   123.2	   129.7	 -5223.5	    97.6
-   6750.0000	   124.8	   129.8	 -5222.0	    97.5
-   6755.0000	   132.0	   129.9	 -5214.9	    97.5
-   6760.0000	   131.5	   130.1	 -5215.5	    97.5
-   6765.0000	   122.4	   130.2	 -5224.8	    97.4
-   6770.0000	   132.0	   130.5	 -5215.4	    97.4
-   6775.0000	   129.3	   130.7	 -5218.4	    97.4
-   6780.0000	   124.5	   131.0	 -5223.5	    97.3
-   6785.0000	   127.1	   131.4	 -5221.3	    97.3
-   6790.0000	   130.6	   131.9	 -5218.3	    97.2
-   6795.0000	   129.8	   132.5	 -5219.7	    97.2
-   6800.0000	   122.0	   133.2	 -5228.2	    97.2
-   6805.0000	   135.9	   134.2	 -5215.3	    97.1
-   6810.0000	   133.8	   135.5	 -5218.7	    97.1
-   6815.0000	   136.5	   137.2	 -5217.7	    97.0
-   6820.0000	   134.0	   139.6	 -5222.6	    97.0
-   6825.0000	   133.2	   143.1	 -5226.9	    97.0
-   6830.0000	   145.5	   149.1	 -5220.5	    96.9
-   6835.0000	   157.5	   164.5	 -5223.9	    96.9
-   6840.0000	   221.0	   226.5	 -5222.4	    96.9
-   6845.0000	   481.0	   442.8	 -5178.8	    96.8
-   6850.0000	   994.4	   908.5	 -5131.1	    96.8
-   6855.0000	  1504.4	  1427.0	 -5139.6	    96.7
-   6860.0000	  1678.1	  1617.7	 -5156.6	    96.7
-   6865.0000	  1479.6	  1463.8	 -5201.2	    96.7
-   6870.0000	  1156.1	  1196.8	 -5257.7	    96.6
-   6875.0000	   922.4	   954.6	 -5249.2	    96.6
-   6880.0000	   739.2	   762.9	 -5240.6	    96.6
-   6885.0000	   625.9	   614.9	 -5205.9	    96.5
-   6890.0000	   517.5	   501.2	 -5200.6	    96.5
-   6895.0000	   431.7	   414.0	 -5199.2	    96.5
-   6900.0000	   353.4	   347.2	 -5210.7	    96.4
-   6905.0000	   295.9	   296.0	 -5217.1	    96.4
-   6910.0000	   260.1	   256.9	 -5213.8	    96.4
-   6915.0000	   237.4	   226.9	 -5206.5	    96.3
-   6920.0000	   212.9	   204.0	 -5208.1	    96.3
-   6925.0000	   191.9	   186.4	 -5211.5	    96.2
-   6930.0000	   176.8	   173.0	 -5213.1	    96.2
-   6935.0000	   169.5	   162.6	 -5210.1	    96.2
-   6940.0000	   152.5	   154.7	 -5219.1	    96.1
-   6945.0000	   154.6	   148.6	 -5210.9	    96.1
-   6950.0000	   154.1	   143.8	 -5206.7	    96.1
-   6955.0000	   133.7	   140.2	 -5223.5	    96.0
-   6960.0000	   140.7	   137.4	 -5213.7	    96.0
-   6965.0000	   131.4	   135.2	 -5220.8	    96.0
-   6970.0000	   133.0	   133.5	 -5217.5	    95.9
-   6975.0000	   133.7	   132.1	 -5215.4	    95.9
-   6980.0000	   132.6	   131.1	 -5215.5	    95.9
-   6985.0000	   130.0	   130.2	 -5217.2	    95.8
-   6990.0000	   131.0	   129.6	 -5215.6	    95.8
-   6995.0000	   136.9	   129.0	 -5209.1	    95.8
-   7000.0000	   137.5	   128.6	 -5208.1	    95.7
-   7005.0000	   129.5	   128.8	 -5216.2	    95.7
-   7010.0000	   129.9	   128.5	 -5215.6	    95.7
-   7015.0000	   125.8	   128.3	 -5219.5	    95.6
-   7020.0000	   132.1	   128.1	 -5213.0	    95.6
-   7025.0000	   134.2	   126.7	 -5209.4	    95.6
-   7030.0000	   124.4	   126.7	 -5219.3	    95.5
-   7035.0000	   131.6	   126.7	 -5212.1	    95.5
-   7040.0000	   132.6	   126.7	 -5211.1	    95.5
-   7045.0000	   123.5	   126.7	 -5220.2	    95.5
-   7050.0000	   127.9	   126.8	 -5215.9	    95.4
-   7055.0000	   127.8	   126.8	 -5216.0	    95.4
-   7060.0000	   129.8	   126.9	 -5214.0	    95.4
-   7065.0000	   125.9	   126.9	 -5218.0	    95.3
-   7070.0000	   130.3	   127.0	 -5213.7	    95.3
-   7075.0000	   129.6	   127.1	 -5214.5	    95.3
-   7080.0000	   130.4	   127.2	 -5213.8	    95.2
-   7085.0000	   132.6	   127.3	 -5211.7	    95.2
-   7090.0000	   130.6	   127.5	 -5213.9	    95.2
-   7095.0000	   124.3	   127.7	 -5220.4	    95.1
-   7100.0000	   136.5	   128.0	 -5208.4	    95.1
-   7105.0000	   127.3	   128.3	 -5217.9	    95.1
-   7110.0000	   125.1	   128.6	 -5220.5	    95.1
-   7115.0000	   129.3	   129.1	 -5216.8	    95.0
-   7120.0000	   133.8	   129.8	 -5212.9	    95.0
-   7125.0000	   130.4	   130.6	 -5217.2	    95.0
-   7130.0000	   131.0	   131.7	 -5217.7	    94.9
-   7135.0000	   133.7	   133.3	 -5216.5	    94.9
-   7140.0000	   133.1	   135.6	 -5219.5	    94.9
-   7145.0000	   149.0	   139.9	 -5207.8	    94.9
-   7150.0000	   159.2	   152.4	 -5210.2	    94.8
-   7155.0000	   201.3	   201.1	 -5216.8	    94.8
-   7160.0000	   356.7	   350.2	 -5210.5	    94.8
-   7165.0000	   693.0	   632.6	 -5156.6	    94.7
-   7170.0000	   972.6	   914.4	 -5158.8	    94.7
-   7175.0000	  1045.9	  1003.5	 -5174.5	    94.7
-   7180.0000	   933.3	   910.5	 -5194.2	    94.7
-   7185.0000	   751.5	   759.0	 -5224.5	    94.6
-   7190.0000	   629.8	   620.7	 -5207.9	    94.6
-   7195.0000	   525.0	   509.9	 -5201.9	    94.6
-   7200.0000	   423.8	   423.5	 -5216.6	    94.6
-   7205.0000	   363.6	   356.3	 -5209.7	    94.5
-   7210.0000	   315.4	   304.3	 -5205.9	    94.5
-   7215.0000	   274.6	   264.0	 -5206.4	    94.5
-   7220.0000	   235.3	   232.8	 -5214.5	    94.4
-   7225.0000	   224.2	   208.7	 -5201.4	    94.4
-   7230.0000	   195.3	   190.0	 -5211.7	    94.4
-   7235.0000	   192.8	   175.6	 -5199.7	    94.4
-   7240.0000	   180.6	   164.4	 -5200.8	    94.3
-   7245.0000	   162.7	   155.7	 -5210.0	    94.3
-   7250.0000	   153.6	   149.0	 -5212.4	    94.3
-   7255.0000	   144.1	   143.8	 -5216.7	    94.3
-   7260.0000	   146.7	   139.8	 -5210.0	    94.2
-   7265.0000	   142.5	   136.6	 -5211.1	    94.2
-   7270.0000	   141.0	   134.1	 -5210.1	    94.2
-   7275.0000	   143.5	   132.2	 -5205.7	    94.2
-   7280.0000	   140.6	   130.7	 -5207.1	    94.1
-   7285.0000	   139.2	   129.5	 -5207.3	    94.1
-   7290.0000	   126.4	   128.6	 -5219.2	    94.1
-   7295.0000	   138.7	   127.9	 -5206.1	    94.1
-   7300.0000	   137.1	   127.3	 -5207.1	    94.0
-   7305.0000	   118.9	   126.8	 -5224.9	    94.0
-   7310.0000	   134.9	   126.4	 -5208.5	    94.0
-   7315.0000	   130.7	   126.1	 -5212.4	    94.0
-   7320.0000	   126.2	   125.8	 -5216.6	    93.9
-   7325.0000	   125.3	   125.6	 -5217.3	    93.9
-   7330.0000	   133.8	   125.5	 -5208.6	    93.9
-   7335.0000	   128.5	   125.3	 -5213.8	    93.9
-   7340.0000	   125.7	   125.2	 -5216.5	    93.8
-   7345.0000	   128.6	   124.3	 -5212.7	    93.8
-   7350.0000	   121.4	   124.3	 -5219.8	    93.8
-   7355.0000	   128.0	   124.2	 -5213.2	    93.8
-   7360.0000	   125.3	   124.2	 -5215.9	    93.8
-   7365.0000	   130.1	   124.2	 -5211.1	    93.7
-   7370.0000	   130.7	   124.2	 -5210.4	    93.7
-   7375.0000	   128.1	   124.1	 -5213.0	    93.7
-   7380.0000	   129.1	   124.1	 -5212.0	    93.7
-   7385.0000	   128.6	   124.1	 -5212.5	    93.6
-   7390.0000	   125.0	   124.1	 -5216.1	    93.6
-   7395.0000	   130.2	   124.1	 -5210.8	    93.6
-   7400.0000	   124.4	   124.0	 -5216.6	    93.6
-   7405.0000	   126.7	   124.0	 -5214.3	    93.6
-   7410.0000	   119.5	   124.0	 -5221.5	    93.5
-   7415.0000	   123.6	   124.0	 -5217.4	    93.5
-   7420.0000	   121.4	   124.0	 -5219.5	    93.5
-   7425.0000	   127.7	   123.9	 -5213.2	    93.5
-   7430.0000	   126.5	   123.9	 -5214.4	    93.4
-   7435.0000	   123.0	   123.9	 -5217.9	    93.4
-   7440.0000	   123.1	   123.9	 -5217.7	    93.4
-   7445.0000	   124.4	   123.8	 -5216.4	    93.4
-   7450.0000	   123.4	   123.8	 -5217.4	    93.4
-   7455.0000	   126.3	   123.8	 -5214.5	    93.3
-   7460.0000	   127.5	   123.8	 -5213.3	    93.3
-   7465.0000	   120.3	   123.8	 -5220.4	    93.3
-   7470.0000	   126.7	   123.7	 -5214.0	    93.3
-   7475.0000	   122.6	   123.7	 -5218.1	    93.3
-   7480.0000	   133.5	   123.7	 -5207.2	    93.2
-   7485.0000	   121.3	   123.7	 -5219.4	    93.2
-   7490.0000	   125.8	   123.7	 -5214.8	    93.2
-   7495.0000	   127.3	   123.6	 -5213.3	    93.2
-   7500.0000	   125.5	   123.6	 -5215.1	    93.2
-   7505.0000	   120.6	   123.6	 -5220.0	    93.1
-   7510.0000	   123.7	   123.6	 -5216.9	    93.1
-   7515.0000	   122.3	   123.6	 -5218.2	    93.1
-   7520.0000	   119.8	   123.6	 -5220.7	    93.1
-   7525.0000	   121.5	   123.5	 -5219.0	    93.1
-   7530.0000	   124.3	   123.5	 -5216.2	    93.1
-   7535.0000	   120.0	   123.5	 -5220.5	    93.0
-   7540.0000	   120.4	   123.5	 -5220.1	    93.0
-   7545.0000	   116.3	   123.5	 -5224.1	    93.0
-   7550.0000	   122.3	   123.4	 -5218.1	    93.0
-   7555.0000	   120.2	   123.4	 -5220.2	    93.0
-   7560.0000	   123.6	   123.4	 -5216.8	    92.9
-   7565.0000	   122.9	   123.4	 -5217.5	    92.9
-   7570.0000	   115.3	   123.4	 -5225.0	    92.9
-   7575.0000	   126.2	   123.4	 -5214.1	    92.9
-   7580.0000	   125.8	   123.3	 -5214.5	    92.9
-   7585.0000	   122.9	   123.3	 -5217.4	    92.9
-   7590.0000	   130.4	   123.3	 -5209.9	    92.8
-   7595.0000	   124.9	   123.3	 -5215.4	    92.8
-   7600.0000	   124.8	   123.3	 -5215.4	    92.8
-   7605.0000	   127.8	   123.2	 -5212.4	    92.8
-   7610.0000	   118.6	   123.2	 -5221.6	    92.8
-   7615.0000	   132.3	   123.2	 -5207.9	    92.8
-   7620.0000	   126.5	   123.2	 -5213.7	    92.7
-   7625.0000	   115.8	   123.2	 -5224.4	    92.7
-   7630.0000	   129.1	   124.1	 -5212.0	    92.7
-   7635.0000	   126.0	   124.1	 -5215.1	    92.7
-   7640.0000	   121.0	   124.2	 -5220.1	    92.7
-   7645.0000	   127.0	   124.2	 -5214.2	    92.7
-   7650.0000	   121.9	   124.3	 -5219.3	    92.6
-   7655.0000	   127.2	   124.3	 -5214.1	    92.6
-   7660.0000	   116.4	   124.4	 -5225.0	    92.6
-   7665.0000	   120.1	   124.5	 -5221.3	    92.6
-   7670.0000	   121.3	   124.5	 -5220.2	    92.6
-   7675.0000	   122.9	   124.6	 -5218.7	    92.6
-   7680.0000	   128.5	   124.7	 -5213.2	    92.5
-   7685.0000	   125.8	   124.8	 -5216.0	    92.5
-   7690.0000	   115.6	   125.0	 -5226.4	    92.5
-   7695.0000	   114.8	   125.1	 -5227.3	    92.5
-   7700.0000	   121.1	   125.3	 -5221.2	    92.5
-   7705.0000	   125.3	   125.5	 -5217.2	    92.5
-   7710.0000	   128.0	   125.7	 -5214.7	    92.5
-   7715.0000	   119.9	   126.0	 -5223.1	    92.4
-   7720.0000	   123.8	   126.3	 -5219.5	    92.4
-   7725.0000	   130.2	   126.7	 -5213.5	    92.4
-   7730.0000	   127.1	   127.1	 -5217.0	    92.4
-   7735.0000	   120.9	   127.7	 -5223.8	    92.4
-   7740.0000	   124.8	   128.3	 -5220.5	    92.4
-   7745.0000	   124.7	   129.1	 -5221.4	    92.4
-   7750.0000	   131.9	   130.1	 -5215.2	    92.3
-   7755.0000	   126.7	   131.4	 -5221.7	    92.3
-   7760.0000	   129.8	   133.0	 -5220.2	    92.3
-   7765.0000	   128.3	   135.2	 -5223.9	    92.3
-   7770.0000	   141.9	   138.3	 -5213.3	    92.3
-   7775.0000	   139.0	   142.7	 -5220.7	    92.3
-   7780.0000	   146.0	   151.0	 -5222.0	    92.3
-   7785.0000	   173.0	   174.7	 -5218.7	    92.3
-   7790.0000	   245.2	   257.8	 -5229.6	    92.2
-   7795.0000	   482.6	   495.7	 -5230.0	    92.2
-   7800.0000	   971.6	   949.8	 -5195.1	    92.2
-   7805.0000	  1503.9	  1461.8	 -5174.9	    92.2
-   7810.0000	  1736.8	  1720.8	 -5201.0	    92.2
-   7815.0000	  1636.6	  1647.9	 -5228.3	    92.2
-   7820.0000	  1415.7	  1407.7	 -5209.0	    92.2
-   7825.0000	  1148.6	  1152.6	 -5220.9	    92.2
-   7830.0000	   938.5	   936.7	 -5215.2	    92.1
-   7835.0000	   777.5	   764.2	 -5203.6	    92.1
-   7840.0000	   642.2	   627.8	 -5202.5	    92.1
-   7845.0000	   533.0	   520.3	 -5204.2	    92.1
-   7850.0000	   448.1	   435.7	 -5204.5	    92.1
-   7855.0000	   374.8	   369.2	 -5211.3	    92.1
-   7860.0000	   311.3	   316.9	 -5222.6	    92.1
-   7865.0000	   279.9	   275.8	 -5212.9	    92.1
-   7870.0000	   243.5	   243.6	 -5217.0	    92.1
-   7875.0000	   225.7	   218.2	 -5209.5	    92.0
-   7880.0000	   203.9	   198.3	 -5211.4	    92.0
-   7885.0000	   186.3	   182.6	 -5213.3	    92.0
-   7890.0000	   175.9	   170.3	 -5211.4	    92.0
-   7895.0000	   163.0	   160.6	 -5214.6	    92.0
-   7900.0000	   148.7	   153.0	 -5221.2	    92.0
-   7905.0000	   152.5	   146.9	 -5211.4	    92.0
-   7910.0000	   148.5	   142.2	 -5210.6	    92.0
-   7915.0000	   146.0	   138.4	 -5209.4	    92.0
-   7920.0000	   143.8	   135.4	 -5208.6	    91.9
-   7925.0000	   140.2	   133.0	 -5209.8	    91.9
-   7930.0000	   141.6	   131.1	 -5206.5	    91.9
-   7935.0000	   134.7	   129.6	 -5211.9	    91.9
-   7940.0000	   138.9	   128.4	 -5206.5	    91.9
-   7945.0000	   130.0	   127.4	 -5214.4	    91.9
-   7950.0000	   126.9	   126.7	 -5216.7	    91.9
-   7955.0000	   130.4	   126.0	 -5212.6	    91.9
-   7960.0000	   130.9	   125.5	 -5211.6	    91.9
-   7965.0000	   134.1	   125.1	 -5208.0	    91.9
-   7970.0000	   132.4	   124.7	 -5209.3	    91.9
-   7975.0000	   129.8	   124.4	 -5211.6	    91.8
-   7980.0000	   130.4	   124.2	 -5210.8	    91.8
-   7985.0000	   125.7	   124.0	 -5215.3	    91.8
-   7990.0000	   126.8	   122.3	 -5212.5	    91.8
-   7995.0000	   135.9	   122.3	 -5203.3	    91.8
-   8000.0000	   133.2	   122.3	 -5206.0	    91.8
-   8005.0000	   127.5	   122.3	 -5211.7	    91.8
-   8010.0000	   135.6	   122.2	 -5203.6	    91.8
-   8015.0000	   123.3	   122.2	 -5215.9	    91.8
-   8020.0000	   135.6	   122.2	 -5203.6	    91.8
-   8025.0000	   135.6	   122.2	 -5203.6	    91.8
-   8030.0000	   126.8	   122.2	 -5212.4	    91.8
-   8035.0000	   131.1	   122.2	 -5208.1	    91.7
-   8040.0000	   126.2	   122.2	 -5213.0	    91.7
-   8045.0000	   131.4	   122.2	 -5207.8	    91.7
-   8050.0000	   125.4	   122.2	 -5213.8	    91.7
-   8055.0000	   130.9	   122.2	 -5208.3	    91.7
-   8060.0000	   126.0	   122.2	 -5213.1	    91.7
-   8065.0000	   135.2	   122.2	 -5203.9	    91.7
-   8070.0000	   126.3	   122.2	 -5212.8	    91.7
-   8075.0000	   128.0	   122.1	 -5211.1	    91.7
-   8080.0000	   125.6	   122.1	 -5213.5	    91.7
-   8085.0000	   129.8	   122.1	 -5209.3	    91.7
-   8090.0000	   123.4	   122.1	 -5215.7	    91.7
-   8095.0000	   120.5	   123.9	 -5220.3	    91.7
-   8100.0000	   125.1	   123.9	 -5215.8	    91.6
-   8105.0000	   127.0	   124.0	 -5214.0	    91.6
-   8110.0000	   131.3	   124.1	 -5209.8	    91.6
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-   8120.0000	   130.0	   124.4	 -5211.3	    91.6
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-   8130.0000	   123.7	   124.6	 -5217.9	    91.6
-   8135.0000	   123.6	   124.8	 -5218.2	    91.6
-   8140.0000	   132.5	   125.0	 -5209.5	    91.6
-   8145.0000	   122.9	   125.2	 -5219.2	    91.6
-   8150.0000	   132.0	   125.4	 -5210.4	    91.6
-   8155.0000	   125.9	   125.6	 -5216.7	    91.6
-   8160.0000	   127.3	   125.9	 -5215.6	    91.6
-   8165.0000	   133.9	   126.2	 -5209.3	    91.6
-   8170.0000	   131.1	   126.6	 -5212.4	    91.6
-   8175.0000	   123.4	   127.0	 -5220.5	    91.6
-   8180.0000	   129.6	   127.4	 -5214.8	    91.6
-   8185.0000	   132.4	   127.9	 -5212.5	    91.6
-   8190.0000	   135.5	   128.5	 -5210.0	    91.5
-   8195.0000	   133.4	   129.2	 -5212.8	    91.5
-   8200.0000	   127.5	   130.0	 -5219.5	    91.5
-   8205.0000	   139.0	   131.0	 -5209.0	    91.5
-   8210.0000	   142.9	   132.2	 -5206.2	    91.5
-   8215.0000	   137.8	   133.6	 -5212.8	    91.5
-   8220.0000	   155.0	   135.3	 -5197.3	    91.5
-   8225.0000	   151.7	   137.5	 -5202.8	    91.5
-   8230.0000	   153.6	   140.2	 -5203.6	    91.5
-   8235.0000	   153.4	   143.8	 -5207.4	    91.5
-   8240.0000	   160.1	   148.6	 -5205.5	    91.5
-   8245.0000	   165.2	   155.4	 -5207.2	    91.5
-   8250.0000	   170.4	   166.1	 -5212.7	    91.5
-   8255.0000	   182.5	   189.6	 -5224.1	    91.5
-   8260.0000	   250.3	   263.4	 -5230.1	    91.5
-   8265.0000	   477.6	   495.7	 -5235.0	    91.5
-   8270.0000	  1056.5	  1050.5	 -5211.0	    91.5
-   8275.0000	  1920.9	  1938.7	 -5234.7	    91.5
-   8280.0000	  2772.5	  2785.3	 -5229.7	    91.5
-   8285.0000	  3102.0	  3121.7	 -5236.6	    91.5
-   8290.0000	  2898.2	  2923.6	 -5242.4	    91.5
-   8295.0000	  2478.8	  2480.4	 -5218.5	    91.5
-   8300.0000	  2080.7	  2024.6	 -5160.9	    91.5
-   8305.0000	  1657.0	  1638.0	 -5198.0	    91.5
-   8310.0000	  1379.7	  1326.4	 -5163.7	    91.4
-   8315.0000	  1118.0	  1078.1	 -5177.1	    91.4
-   8320.0000	   899.4	   880.8	 -5198.4	    91.4
-   8325.0000	   727.2	   724.3	 -5214.1	    91.4
-   8330.0000	   609.5	   600.2	 -5207.7	    91.4
-   8335.0000	   530.7	   501.9	 -5188.2	    91.4
-   8340.0000	   434.5	   424.1	 -5206.5	    91.4
-   8345.0000	   366.9	   362.4	 -5212.5	    91.4
-   8350.0000	   318.5	   313.5	 -5212.0	    91.4
-   8355.0000	   282.6	   274.8	 -5209.2	    91.4
-   8360.0000	   240.9	   244.2	 -5220.2	    91.4
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-   8370.0000	   208.3	   200.5	 -5209.2	    91.4
-   8375.0000	   199.2	   185.2	 -5203.0	    91.4
-   8380.0000	   178.0	   173.0	 -5212.0	    91.4
-   8385.0000	   169.8	   163.3	 -5210.5	    91.4
-   8390.0000	   164.1	   155.6	 -5208.5	    91.4
-   8395.0000	   157.2	   149.4	 -5209.2	    91.4
-   8400.0000	   137.3	   144.5	 -5224.2	    91.4
-   8405.0000	   151.7	   140.6	 -5205.9	    91.4
-   8410.0000	   141.7	   137.4	 -5212.7	    91.4
-   8415.0000	   145.7	   134.9	 -5206.1	    91.4
-   8420.0000	   135.6	   132.8	 -5214.2	    91.4
-   8425.0000	   132.7	   131.2	 -5215.4	    91.4
-   8430.0000	   134.1	   129.8	 -5212.7	    91.4
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-   8440.0000	   122.0	   127.8	 -5222.8	    91.4
-   8445.0000	   141.8	   127.1	 -5202.2	    91.4
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-   8475.0000	   134.8	   121.8	 -5204.0	    91.4
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-   8520.0000	   125.6	   121.8	 -5213.2	    91.4
-   8525.0000	   126.3	   121.8	 -5212.5	    91.4
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-   8535.0000	   126.0	   121.8	 -5212.8	    91.4
-   8540.0000	   116.0	   121.8	 -5222.8	    91.4
-   8545.0000	   124.8	   121.8	 -5214.0	    91.4
-   8550.0000	   128.1	   121.8	 -5210.7	    91.4
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-   8560.0000	   121.7	   121.8	 -5217.1	    91.4
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-   8575.0000	   112.5	   121.8	 -5226.3	    91.4
-   8580.0000	   120.7	   121.8	 -5218.1	    91.4
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-   8590.0000	   127.0	   121.8	 -5211.8	    91.4
-   8595.0000	   118.1	   121.9	 -5220.7	    91.4
-   8600.0000	   135.3	   121.9	 -5203.5	    91.4
-   8605.0000	   121.1	   121.9	 -5217.7	    91.4
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-   8625.0000	   121.2	   121.9	 -5217.6	    91.4
-   8630.0000	   130.8	   121.9	 -5208.0	    91.4
-   8635.0000	   115.1	   121.9	 -5223.7	    91.4
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-   8660.0000	   123.8	   121.9	 -5215.0	    91.4
-   8665.0000	   116.5	   121.9	 -5222.3	    91.4
-   8670.0000	   124.2	   121.9	 -5214.6	    91.4
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-   8680.0000	   117.9	   121.9	 -5221.0	    91.4
-   8685.0000	   114.9	   121.9	 -5224.0	    91.4
-   8690.0000	   117.1	   121.9	 -5221.8	    91.4
-   8695.0000	   115.1	   121.9	 -5223.8	    91.4
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-   8710.0000	   122.9	   121.9	 -5216.0	    91.4
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-   8720.0000	   119.0	   121.9	 -5219.9	    91.4
-   8725.0000	   122.7	   121.9	 -5216.2	    91.4
-   8730.0000	   135.9	   121.9	 -5203.0	    91.4
-   8735.0000	   116.9	   121.9	 -5222.0	    91.4
-   8740.0000	   110.1	   121.9	 -5228.8	    91.4
-   8745.0000	   122.4	   121.9	 -5216.5	    91.4
-   8750.0000	   126.8	   121.9	 -5212.1	    91.4
-   8755.0000	   125.1	   121.9	 -5213.8	    91.4
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-   8765.0000	   124.2	   121.9	 -5214.7	    91.5
-   8770.0000	   120.7	   121.9	 -5218.2	    91.5
-   8775.0000	   120.0	   121.9	 -5218.9	    91.5
-   8780.0000	   134.6	   121.9	 -5204.3	    91.5
-   8785.0000	   127.0	   121.9	 -5211.9	    91.5
-   8790.0000	   124.3	   121.9	 -5214.6	    91.5
-   8795.0000	   127.0	   121.9	 -5211.9	    91.5
-   8800.0000	   116.3	   121.9	 -5222.6	    91.5
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-   8810.0000	   117.2	   121.9	 -5221.7	    91.5
-   8815.0000	   129.2	   121.9	 -5209.7	    91.5
-   8820.0000	   125.6	   121.9	 -5213.3	    91.5
-   8825.0000	   133.0	   122.0	 -5205.9	    91.5
-   8830.0000	   124.9	   122.0	 -5214.0	    91.5
-   8835.0000	   122.0	   122.0	 -5216.9	    91.5
-   8840.0000	   130.0	   122.0	 -5208.9	    91.5
-   8845.0000	   132.0	   122.0	 -5206.9	    91.5
-   8850.0000	   127.7	   122.0	 -5211.2	    91.5
-   8855.0000	   124.1	   122.0	 -5214.8	    91.5
-   8860.0000	   132.9	   122.0	 -5206.1	    91.5
-   8865.0000	   126.5	   122.0	 -5212.5	    91.5
-   8870.0000	   121.0	   122.0	 -5218.0	    91.5
-   8875.0000	   122.3	   122.0	 -5216.7	    91.5
-   8880.0000	   124.4	   122.0	 -5214.6	    91.5
-   8885.0000	   113.2	   122.0	 -5225.8	    91.5
-   8890.0000	   131.4	   122.0	 -5207.6	    91.5
-   8895.0000	   117.9	   122.0	 -5221.1	    91.5
-   8900.0000	   118.7	   122.0	 -5220.3	    91.5
-   8905.0000	   122.0	   122.0	 -5217.0	    91.6
-   8910.0000	   120.7	   122.0	 -5218.3	    91.6
-   8915.0000	   110.1	   122.0	 -5228.9	    91.6
-   8920.0000	   120.2	   122.0	 -5218.8	    91.6
-   8925.0000	   119.6	   122.0	 -5219.4	    91.6
-   8930.0000	   115.5	   122.0	 -5223.5	    91.6
-   8935.0000	   117.7	   122.0	 -5221.3	    91.6
-   8940.0000	   119.2	   122.0	 -5219.8	    91.6
-   8945.0000	   120.9	   122.0	 -5218.1	    91.6
-   8950.0000	   130.5	   122.1	 -5208.5	    91.6
-   8955.0000	   119.4	   122.1	 -5219.6	    91.6
-   8960.0000	   121.6	   122.1	 -5217.4	    91.6
-   8965.0000	   117.0	   122.1	 -5222.0	    91.6
-   8970.0000	   114.6	   122.1	 -5224.4	    91.6
-   8975.0000	   115.6	   122.1	 -5223.5	    91.6
-   8980.0000	   120.1	   122.1	 -5219.0	    91.6
-   8985.0000	   124.2	   122.1	 -5214.9	    91.6
-   8990.0000	   107.3	   122.1	 -5231.8	    91.6
-   8995.0000	   111.2	   122.1	 -5227.9	    91.6
-   9000.0000	   110.0	   122.1	 -5229.1	    91.6
-   9005.0000	   123.1	   122.1	 -5216.0	    91.6
-   9010.0000	   124.8	   122.1	 -5214.3	    91.6
-   9015.0000	   113.9	   122.1	 -5225.2	    91.7
-   9020.0000	   124.0	   122.1	 -5215.1	    91.7
-   9025.0000	   123.9	   122.1	 -5215.2	    91.7
-   9030.0000	   120.3	   122.1	 -5218.8	    91.7
-   9035.0000	   120.6	   122.1	 -5218.5	    91.7
-   9040.0000	   121.3	   122.1	 -5217.8	    91.7
-   9045.0000	   121.6	   122.1	 -5217.5	    91.7
-   9050.0000	   111.2	   122.2	 -5227.9	    91.7
-   9055.0000	   116.8	   122.2	 -5222.3	    91.7
-   9060.0000	   126.0	   122.2	 -5213.1	    91.7
-   9065.0000	   117.3	   122.2	 -5221.8	    91.7
-   9070.0000	   112.7	   122.2	 -5226.4	    91.7
-   9075.0000	   114.9	   122.2	 -5224.3	    91.7
-   9080.0000	   117.8	   122.2	 -5221.4	    91.7
-   9085.0000	   120.4	   122.2	 -5218.8	    91.7
-   9090.0000	   114.8	   122.2	 -5224.4	    91.7
-   9095.0000	   120.1	   122.2	 -5219.1	    91.7
-   9100.0000	   116.3	   122.2	 -5222.9	    91.7
-   9105.0000	   124.2	   123.6	 -5216.4	    91.7
-   9110.0000	   115.6	   123.7	 -5225.0	    91.8
-   9115.0000	   116.4	   123.7	 -5224.3	    91.8
-   9120.0000	   121.6	   123.8	 -5219.2	    91.8
-   9125.0000	   116.2	   123.9	 -5224.7	    91.8
-   9130.0000	   122.8	   124.0	 -5218.2	    91.8
-   9135.0000	   119.4	   124.1	 -5221.7	    91.8
-   9140.0000	   123.2	   124.2	 -5218.0	    91.8
-   9145.0000	   125.4	   124.3	 -5215.9	    91.8
-   9150.0000	   115.8	   124.5	 -5225.6	    91.8
-   9155.0000	   124.9	   124.6	 -5216.7	    91.8
-   9160.0000	   124.0	   124.8	 -5217.7	    91.8
-   9165.0000	   116.0	   124.9	 -5225.9	    91.8
-   9170.0000	   116.8	   125.1	 -5225.3	    91.8
-   9175.0000	   122.6	   125.3	 -5219.7	    91.8
-   9180.0000	   117.8	   125.6	 -5224.7	    91.8
-   9185.0000	   123.0	   125.8	 -5219.8	    91.8
-   9190.0000	   124.9	   126.1	 -5218.2	    91.9
-   9195.0000	   121.2	   126.4	 -5222.2	    91.9
-   9200.0000	   119.6	   126.8	 -5224.2	    91.9
-   9205.0000	   120.3	   127.2	 -5223.9	    91.9
-   9210.0000	   130.7	   127.7	 -5213.9	    91.9
-   9215.0000	   129.8	   128.2	 -5215.4	    91.9
-   9220.0000	   137.7	   128.8	 -5208.1	    91.9
-   9225.0000	   134.4	   129.5	 -5212.1	    91.9
-   9230.0000	   139.2	   130.4	 -5208.2	    91.9
-   9235.0000	   148.1	   131.4	 -5200.3	    91.9
-   9240.0000	   140.7	   132.7	 -5208.9	    91.9
-   9245.0000	   152.1	   134.2	 -5199.0	    91.9
-   9250.0000	   148.1	   136.0	 -5204.9	    91.9
-   9255.0000	   153.0	   138.4	 -5202.4	    91.9
-   9260.0000	   154.3	   141.4	 -5204.1	    91.9
-   9265.0000	   150.2	   145.4	 -5212.2	    91.9
-   9270.0000	   145.6	   151.1	 -5222.5	    92.0
-   9275.0000	   163.5	   160.5	 -5214.0	    92.0
-   9280.0000	   168.8	   181.9	 -5230.1	    92.0
-   9285.0000	   233.9	   243.5	 -5226.6	    92.0
-   9290.0000	   389.1	   414.0	 -5241.8	    92.0
-   9295.0000	   776.8	   787.9	 -5228.1	    92.0
-   9300.0000	  1338.8	  1383.9	 -5262.0	    92.0
-   9305.0000	  1935.2	  2019.7	 -5301.5	    92.0
-   9310.0000	  2338.9	  2397.1	 -5275.2	    92.0
-   9315.0000	  2323.5	  2397.4	 -5290.8	    92.0
-   9320.0000	  2169.9	  2141.4	 -5188.4	    92.0
-   9325.0000	  1854.1	  1804.0	 -5166.9	    92.0
-   9330.0000	  1505.1	  1487.4	 -5199.3	    92.0
-   9335.0000	  1321.8	  1221.6	 -5116.8	    92.0
-   9340.0000	  1028.1	  1005.8	 -5194.7	    92.1
-   9345.0000	   856.8	   831.9	 -5192.1	    92.1
-   9350.0000	   704.8	   692.2	 -5204.4	    92.1
-   9355.0000	   591.2	   580.1	 -5205.9	    92.1
-   9360.0000	   493.0	   490.2	 -5214.2	    92.1
-   9365.0000	   408.6	   418.1	 -5226.5	    92.1
-   9370.0000	   357.5	   360.4	 -5219.9	    92.1
-   9375.0000	   307.9	   314.1	 -5223.2	    92.1
-   9380.0000	   261.8	   277.0	 -5232.2	    92.1
-   9385.0000	   235.5	   247.3	 -5228.8	    92.1
-   9390.0000	   233.1	   223.4	 -5207.3	    92.1
-   9395.0000	   183.7	   204.3	 -5237.6	    92.1
-   9400.0000	   189.6	   189.0	 -5216.3	    92.1
-   9405.0000	   172.1	   176.6	 -5221.5	    92.1
-   9410.0000	   168.1	   166.7	 -5215.6	    92.2
-   9415.0000	   151.1	   158.7	 -5224.6	    92.2
-   9420.0000	   158.1	   152.3	 -5211.2	    92.2
-   9425.0000	   142.3	   147.1	 -5221.8	    92.2
-   9430.0000	   138.9	   143.0	 -5221.0	    92.2
-   9435.0000	   148.9	   139.6	 -5207.6	    92.2
-   9440.0000	   138.7	   136.8	 -5215.1	    92.2
-   9445.0000	   133.8	   134.6	 -5217.8	    92.2
-   9450.0000	   138.7	   132.8	 -5211.1	    92.2
-   9455.0000	   137.2	   131.3	 -5211.1	    92.2
-   9460.0000	   130.1	   130.1	 -5217.0	    92.2
-   9465.0000	   128.4	   129.1	 -5217.7	    92.2
-   9470.0000	   137.8	   128.3	 -5207.4	    92.2
-   9475.0000	   133.1	   127.6	 -5211.5	    92.2
-   9480.0000	   118.8	   127.0	 -5225.2	    92.3
-   9485.0000	   129.7	   126.6	 -5213.8	    92.3
-   9490.0000	   118.7	   126.2	 -5224.4	    92.3
-   9495.0000	   122.0	   125.8	 -5220.8	    92.3
-   9500.0000	   126.6	   125.6	 -5215.9	    92.3
-   9505.0000	   121.1	   125.3	 -5221.2	    92.3
-   9510.0000	   129.9	   125.1	 -5212.2	    92.3
-   9515.0000	   123.9	   122.8	 -5215.8	    92.3
-   9520.0000	   129.3	   122.8	 -5210.5	    92.3
-   9525.0000	   128.0	   122.8	 -5211.8	    92.3
-   9530.0000	   128.0	   122.8	 -5211.8	    92.3
-   9535.0000	   135.5	   122.8	 -5204.3	    92.3
-   9540.0000	   127.1	   122.8	 -5212.7	    92.3
-   9545.0000	   124.2	   122.8	 -5215.6	    92.4
-   9550.0000	   127.7	   122.8	 -5212.1	    92.4
-   9555.0000	   127.1	   122.8	 -5212.7	    92.4
-   9560.0000	   120.7	   122.8	 -5219.1	    92.4
-   9565.0000	   126.9	   122.8	 -5212.9	    92.4
-   9570.0000	   131.0	   122.9	 -5208.8	    92.4
-   9575.0000	   118.8	   122.9	 -5221.0	    92.4
-   9580.0000	   124.0	   122.9	 -5215.8	    92.4
-   9585.0000	   121.1	   122.9	 -5218.8	    92.4
-   9590.0000	   121.9	   122.9	 -5218.0	    92.4
-   9595.0000	   123.7	   122.9	 -5216.2	    92.4
-   9600.0000	   128.3	   122.9	 -5211.6	    92.4
-   9605.0000	   137.4	   122.9	 -5202.5	    92.4
-   9610.0000	   142.8	   122.9	 -5197.1	    92.5
-   9615.0000	   129.5	   122.9	 -5210.4	    92.5
-   9620.0000	   136.8	   122.9	 -5203.1	    92.5
-   9625.0000	   128.4	   122.9	 -5211.5	    92.5
-   9630.0000	   133.9	   122.9	 -5206.0	    92.5
-   9635.0000	   128.2	   123.0	 -5211.7	    92.5
-   9640.0000	   126.1	   123.0	 -5213.8	    92.5
-   9645.0000	   131.8	   123.0	 -5208.1	    92.5
-   9650.0000	   126.4	   123.0	 -5213.6	    92.5
-   9655.0000	   125.1	   123.0	 -5214.9	    92.5
-   9660.0000	   127.7	   123.0	 -5212.3	    92.5
-   9665.0000	   122.5	   123.0	 -5217.5	    92.5
-   9670.0000	   132.2	   123.0	 -5207.8	    92.5
-   9675.0000	   132.8	   123.0	 -5207.2	    92.6
-   9680.0000	   132.1	   123.0	 -5207.9	    92.6
-   9685.0000	   126.2	   123.0	 -5213.8	    92.6
-   9690.0000	   116.5	   123.0	 -5223.5	    92.6
-   9695.0000	   116.2	   123.0	 -5223.8	    92.6
-   9700.0000	   121.0	   123.1	 -5219.0	    92.6
-   9705.0000	   119.4	   123.1	 -5220.6	    92.6
-   9710.0000	   118.2	   123.1	 -5221.9	    92.6
-   9715.0000	   121.6	   123.1	 -5218.5	    92.6
-   9720.0000	   125.5	   123.1	 -5214.6	    92.6
-   9725.0000	   124.3	   123.1	 -5215.8	    92.6
-   9730.0000	   134.1	   123.1	 -5206.0	    92.6
-   9735.0000	   136.1	   123.1	 -5204.0	    92.7
-   9740.0000	   125.1	   123.1	 -5215.0	    92.7
-   9745.0000	   124.3	   123.1	 -5215.8	    92.7
-   9750.0000	   133.4	   123.1	 -5206.7	    92.7
-   9755.0000	   124.8	   123.1	 -5215.3	    92.7
-   9760.0000	   129.3	   123.2	 -5210.8	    92.7
-   9765.0000	   132.8	   123.2	 -5207.3	    92.7
-   9770.0000	   129.0	   123.2	 -5211.1	    92.7
-   9775.0000	   124.8	   123.2	 -5215.4	    92.7
-   9780.0000	   130.8	   123.2	 -5209.4	    92.7
-   9785.0000	   130.9	   123.2	 -5209.3	    92.7
-   9790.0000	   124.0	   123.2	 -5216.2	    92.7
-   9795.0000	   129.7	   123.2	 -5210.5	    92.7
-   9800.0000	   122.9	   123.2	 -5217.3	    92.8
-   9805.0000	   122.0	   123.2	 -5218.2	    92.8
-   9810.0000	   133.1	   123.2	 -5207.1	    92.8
-   9815.0000	   134.1	   123.2	 -5206.1	    92.8
-   9820.0000	   130.8	   123.2	 -5209.4	    92.8
-   9825.0000	   133.5	   123.3	 -5206.7	    92.8
-   9830.0000	   117.7	   123.3	 -5222.5	    92.8
-   9835.0000	   123.5	   123.3	 -5216.8	    92.8
-   9840.0000	   128.1	   123.3	 -5212.2	    92.8
-   9845.0000	   130.8	   123.3	 -5209.5	    92.8
-   9850.0000	   130.6	   123.3	 -5209.7	    92.8
-   9855.0000	   130.0	   123.3	 -5210.3	    92.8
-   9860.0000	   122.3	   123.3	 -5218.0	    92.9
-   9865.0000	   126.2	   123.3	 -5214.1	    92.9
-   9870.0000	   114.2	   123.3	 -5226.1	    92.9
-   9875.0000	   124.3	   123.3	 -5216.0	    92.9
-   9880.0000	   125.6	   123.3	 -5214.7	    92.9
-   9885.0000	   125.4	   123.4	 -5214.9	    92.9
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-   9895.0000	   120.0	   123.4	 -5220.3	    92.9
-   9900.0000	   115.3	   123.4	 -5225.1	    92.9
-   9905.0000	   116.9	   123.4	 -5223.5	    92.9
-   9910.0000	   129.6	   123.4	 -5210.8	    92.9
-   9915.0000	   120.9	   123.4	 -5219.5	    92.9
-   9920.0000	   130.0	   123.4	 -5210.4	    92.9
-   9925.0000	   129.8	   123.4	 -5210.6	    93.0
-   9930.0000	   127.7	   124.4	 -5213.7	    93.0
-   9935.0000	   130.6	   124.5	 -5210.8	    93.0
-   9940.0000	   118.8	   124.5	 -5222.7	    93.0
-   9945.0000	   119.8	   124.6	 -5221.8	    93.0
-   9950.0000	   122.4	   124.6	 -5219.2	    93.0
-   9955.0000	   117.9	   124.7	 -5223.8	    93.0
-   9960.0000	   123.1	   124.8	 -5218.7	    93.0
-   9965.0000	   122.7	   124.9	 -5219.1	    93.0
-   9970.0000	   129.2	   124.9	 -5212.7	    93.0
-   9975.0000	   114.7	   125.0	 -5227.3	    93.0
-   9980.0000	   118.5	   125.1	 -5223.6	    93.0
-   9985.0000	   125.8	   125.2	 -5216.4	    93.1
-   9990.0000	   130.3	   125.4	 -5212.0	    93.1
-   9995.0000	   122.0	   125.5	 -5220.5	    93.1
-  10000.0000	   120.6	   125.6	 -5222.0	    93.1
-  10005.0000	   127.9	   125.8	 -5214.8	    93.1
-  10010.0000	   125.7	   125.9	 -5217.2	    93.1
-  10015.0000	   119.3	   126.1	 -5223.8	    93.1
-  10020.0000	   116.3	   126.3	 -5227.0	    93.1
-  10025.0000	   124.5	   126.5	 -5219.0	    93.1
-  10030.0000	   110.3	   126.8	 -5233.5	    93.1
-  10035.0000	   129.3	   127.1	 -5214.7	    93.1
-  10040.0000	   122.9	   127.4	 -5221.5	    93.1
-  10045.0000	   120.5	   127.8	 -5224.2	    93.1
-  10050.0000	   121.1	   128.2	 -5224.1	    93.2
-  10055.0000	   123.4	   128.7	 -5222.2	    93.2
-  10060.0000	   123.4	   129.2	 -5222.8	    93.2
-  10065.0000	   124.1	   129.9	 -5222.8	    93.2
-  10070.0000	   126.2	   130.7	 -5221.5	    93.2
-  10075.0000	   126.8	   131.6	 -5221.8	    93.2
-  10080.0000	   134.5	   132.8	 -5215.3	    93.2
-  10085.0000	   123.9	   134.2	 -5227.3	    93.2
-  10090.0000	   137.0	   136.0	 -5216.0	    93.2
-  10095.0000	   140.0	   138.3	 -5215.3	    93.2
-  10100.0000	   134.3	   141.4	 -5224.1	    93.2
-  10105.0000	   137.6	   145.9	 -5225.3	    93.2
-  10110.0000	   159.4	   154.1	 -5211.6	    93.3
-  10115.0000	   168.8	   173.4	 -5221.6	    93.3
-  10120.0000	   217.5	   225.9	 -5225.4	    93.3
-  10125.0000	   339.5	   355.3	 -5232.7	    93.3
-  10130.0000	   582.1	   612.2	 -5247.1	    93.3
-  10135.0000	   974.1	   997.7	 -5240.6	    93.3
-  10140.0000	  1360.7	  1406.5	 -5262.7	    93.3
-  10145.0000	  1623.1	  1670.3	 -5264.2	    93.3
-  10150.0000	  1663.4	  1706.2	 -5259.8	    93.3
-  10155.0000	  1555.4	  1565.3	 -5226.9	    93.3
-  10160.0000	  1380.7	  1349.0	 -5185.3	    93.3
-  10165.0000	  1188.1	  1131.1	 -5159.9	    93.3
-  10170.0000	   993.8	   941.6	 -5164.8	    93.3
-  10175.0000	   828.2	   785.4	 -5174.1	    93.4
-  10180.0000	   666.7	   658.4	 -5208.7	    93.4
-  10185.0000	   572.6	   555.7	 -5200.1	    93.4
-  10190.0000	   490.6	   472.8	 -5199.1	    93.4
-  10195.0000	   419.8	   405.9	 -5203.0	    93.4
-  10200.0000	   355.4	   351.9	 -5213.5	    93.4
-  10205.0000	   287.9	   308.4	 -5237.5	    93.4
-  10210.0000	   268.4	   273.3	 -5221.9	    93.4
-  10215.0000	   241.4	   245.1	 -5220.6	    93.4
-  10220.0000	   216.9	   222.3	 -5222.3	    93.4
-  10225.0000	   192.7	   203.9	 -5228.2	    93.4
-  10230.0000	   181.4	   189.0	 -5224.6	    93.4
-  10235.0000	   181.2	   177.1	 -5212.9	    93.4
-  10240.0000	   164.1	   167.4	 -5220.3	    93.5
-  10245.0000	   162.1	   159.6	 -5214.5	    93.5
-  10250.0000	   152.8	   153.3	 -5217.4	    93.5
-  10255.0000	   138.1	   148.1	 -5227.0	    93.5
-  10260.0000	   148.3	   144.0	 -5212.7	    93.5
-  10265.0000	   137.6	   140.6	 -5220.0	    93.5
-  10270.0000	   140.9	   137.9	 -5214.0	    93.5
-  10275.0000	   135.7	   135.7	 -5216.9	    93.5
-  10280.0000	   129.8	   133.8	 -5221.0	    93.5
-  10285.0000	   120.1	   132.3	 -5229.2	    93.5
-  10290.0000	   129.4	   131.1	 -5218.7	    93.5
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-  10305.0000	   125.5	   128.6	 -5220.1	    93.5
-  10310.0000	   123.2	   128.1	 -5221.8	    93.6
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-  13080.0000	   115.6	   124.9	 -5226.3	    94.4
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-  14350.0000	 10655.8	 11346.4	 -5907.6	    94.6
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-  14360.0000	 10203.8	 10440.5	 -5453.7	    94.6
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-  14385.0000	  4644.3	  4457.3	 -5029.9	    94.6
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-  14425.0000	   950.1	  1010.0	 -5276.9	    94.7
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-  14435.0000	   678.7	   727.1	 -5265.4	    94.7
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-  14445.0000	   507.1	   538.2	 -5248.0	    94.7
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-  14455.0000	   391.6	   411.5	 -5236.9	    94.7
-  14460.0000	   406.3	   364.8	 -5175.4	    94.7
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-  14475.0000	   283.5	   268.7	 -5202.2	    94.7
-  14480.0000	   265.6	   247.3	 -5198.7	    94.7
-  14485.0000	   253.7	   229.5	 -5192.8	    94.7
-  14490.0000	   220.8	   214.8	 -5211.0	    94.7
-  14495.0000	   193.1	   202.6	 -5226.5	    94.7
-  14500.0000	   226.9	   192.4	 -5182.5	    94.7
-  14505.0000	   215.7	   184.0	 -5185.2	    94.7
-  14510.0000	   203.9	   176.8	 -5189.9	    94.8
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-  14520.0000	   199.7	   165.8	 -5183.1	    94.8
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-  14580.0000	   140.0	   140.2	 -5217.1	    94.8
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-  14600.0000	   182.9	   137.3	 -5171.3	    94.9
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-  14625.0000	   138.3	   134.8	 -5213.5	    94.9
-  14630.0000	   177.1	   134.5	 -5174.3	    94.9
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-  14640.0000	   173.5	   125.4	 -5168.8	    94.9
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-  14710.0000	   150.6	   125.5	 -5191.8	    95.0
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-  14720.0000	   128.8	   125.5	 -5213.7	    95.0
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-  14730.0000	   134.6	   125.5	 -5207.9	    95.0
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-  14760.0000	   139.5	   125.5	 -5203.0	    95.1
-  14765.0000	   154.4	   125.5	 -5188.1	    95.1
-  14770.0000	   155.7	   125.6	 -5186.8	    95.1
-  14775.0000	   148.0	   125.6	 -5194.5	    95.1
-  14780.0000	   138.2	   125.6	 -5204.3	    95.1
-  14785.0000	   143.3	   125.6	 -5199.2	    95.1
-  14790.0000	   148.9	   125.6	 -5193.7	    95.1
-  14795.0000	   142.9	   125.6	 -5199.7	    95.1
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-  14805.0000	   127.0	   125.6	 -5215.6	    95.1
-  14810.0000	   135.1	   125.6	 -5207.5	    95.2
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-  14820.0000	   162.2	   125.6	 -5180.4	    95.2
-  14825.0000	   142.8	   125.6	 -5199.8	    95.2
-  14830.0000	   137.6	   125.6	 -5205.0	    95.2
-  14835.0000	   129.8	   125.7	 -5212.8	    95.2
-  14840.0000	   121.5	   125.7	 -5221.1	    95.2
-  14845.0000	   146.2	   125.7	 -5196.4	    95.2
-  14850.0000	   120.1	   125.7	 -5222.6	    95.2
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-  14860.0000	   136.2	   125.7	 -5206.5	    95.2
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-  14870.0000	   121.7	   125.7	 -5221.0	    95.2
-  14875.0000	   133.4	   125.7	 -5209.3	    95.3
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-  14890.0000	   138.3	   125.7	 -5204.4	    95.3
-  14895.0000	   131.7	   125.8	 -5211.0	    95.3
-  14900.0000	   133.4	   125.8	 -5209.3	    95.3
-  14905.0000	   127.6	   125.8	 -5215.1	    95.3
-  14910.0000	   121.8	   125.8	 -5221.0	    95.3
-  14915.0000	   136.0	   125.8	 -5206.8	    95.3
-  14920.0000	   127.1	   125.8	 -5215.7	    95.3
-  14925.0000	   126.6	   125.8	 -5216.2	    95.3
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-  14935.0000	   157.4	   125.8	 -5185.4	    95.4
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-  14950.0000	   119.6	   125.9	 -5223.2	    95.4
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-  14960.0000	   135.8	   125.9	 -5207.0	    95.4
-  14965.0000	   137.5	   125.9	 -5205.4	    95.4
-  14970.0000	   135.7	   125.9	 -5207.2	    95.4
-  14975.0000	   141.1	   125.9	 -5201.8	    95.4
-  14980.0000	   134.8	   125.9	 -5208.1	    95.4
-  14985.0000	   144.7	   125.9	 -5198.2	    95.5
-  14990.0000	   129.2	   125.9	 -5213.7	    95.5
-  14995.0000	   119.2	   125.9	 -5223.7	    95.5
-  15000.0000	   130.1	   125.9	 -5212.8	    95.5
-  15005.0000	   144.6	   126.0	 -5198.3	    95.5
-  15010.0000	   122.6	   126.0	 -5220.3	    95.5
-  15015.0000	   128.1	   126.0	 -5214.8	    95.5
-  15020.0000	   126.3	   126.0	 -5216.7	    95.5
-  15025.0000	   155.5	   126.0	 -5187.5	    95.5
-  15030.0000	   132.5	   126.0	 -5210.5	    95.5
-  15035.0000	   148.2	   126.0	 -5194.8	    95.6
-  15040.0000	   137.9	   126.0	 -5205.1	    95.6
-  15045.0000	   140.7	   126.0	 -5202.3	    95.6
-  15050.0000	   126.8	   126.0	 -5216.2	    95.6
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-  15060.0000	   149.0	   126.1	 -5194.0	    95.6
-  15065.0000	   129.5	   126.1	 -5213.5	    95.6
-  15070.0000	   115.5	   126.1	 -5227.6	    95.6
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-  15080.0000	   135.0	   126.1	 -5208.1	    95.6
-  15085.0000	   134.0	   126.1	 -5209.1	    95.7
-  15090.0000	   113.4	   126.1	 -5229.7	    95.7
-  15095.0000	   142.0	   126.1	 -5201.1	    95.7
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-  15105.0000	   118.9	   126.2	 -5224.2	    95.7
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-  15115.0000	   111.7	   126.2	 -5231.5	    95.7
-  15120.0000	   124.4	   126.2	 -5218.8	    95.7
-  15125.0000	   136.7	   126.2	 -5206.5	    95.7
-  15130.0000	   134.8	   126.2	 -5208.4	    95.7
-  15135.0000	   136.2	   126.2	 -5207.0	    95.8
-  15140.0000	   145.3	   126.2	 -5197.9	    95.8
-  15145.0000	   150.1	   126.2	 -5193.1	    95.8
-  15150.0000	   121.8	   126.2	 -5221.4	    95.8
-  15155.0000	   129.5	   126.3	 -5213.7	    95.8
-  15160.0000	   147.2	   126.3	 -5196.0	    95.8
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-  15170.0000	   143.8	   126.3	 -5199.5	    95.8
-  15175.0000	   142.9	   126.3	 -5200.4	    95.8
-  15180.0000	   121.1	   126.3	 -5222.2	    95.9
-  15185.0000	   148.2	   126.3	 -5195.1	    95.9
-  15190.0000	   126.4	   126.3	 -5216.9	    95.9
-  15195.0000	   141.9	   126.3	 -5201.4	    95.9
-  15200.0000	   171.7	   126.4	 -5171.6	    95.9
-  15205.0000	   142.4	   126.4	 -5200.9	    95.9
-  15210.0000	   143.9	   126.4	 -5199.5	    95.9
-  15215.0000	   141.0	   126.4	 -5202.4	    95.9
-  15220.0000	   128.7	   126.4	 -5214.7	    95.9
-  15225.0000	   135.1	   126.4	 -5208.3	    96.0
-  15230.0000	   146.9	   126.4	 -5196.5	    96.0
-  15235.0000	   156.8	   126.4	 -5186.6	    96.0
-  15240.0000	   151.4	   126.5	 -5192.0	    96.0
-  15245.0000	   139.0	   126.5	 -5204.4	    96.0
-  15250.0000	   121.1	   126.5	 -5222.4	    96.0
-  15255.0000	   125.1	   126.5	 -5218.4	    96.0
-  15260.0000	   138.5	   126.5	 -5205.0	    96.0
-  15265.0000	   118.0	   126.5	 -5225.5	    96.0
-  15270.0000	   123.0	   126.5	 -5220.5	    96.1
-  15275.0000	   135.4	   126.5	 -5208.1	    96.1
-  15280.0000	   123.9	   126.5	 -5219.6	    96.1
-  15285.0000	   120.9	   126.6	 -5222.6	    96.1
-  15290.0000	   127.9	   126.6	 -5215.6	    96.1
-  15295.0000	   137.5	   126.6	 -5206.1	    96.1
-  15300.0000	   120.7	   126.6	 -5222.9	    96.1
-  15305.0000	   122.7	   126.6	 -5220.9	    96.1
-  15310.0000	   117.7	   126.6	 -5225.9	    96.2
-  15315.0000	   129.3	   126.6	 -5214.3	    96.2
-  15320.0000	   126.7	   126.6	 -5216.9	    96.2
-  15325.0000	   145.0	   126.7	 -5198.6	    96.2
-  15330.0000	   114.4	   126.7	 -5229.2	    96.2
-  15335.0000	   133.7	   126.7	 -5210.0	    96.2
-  15340.0000	   137.8	   126.7	 -5205.9	    96.2
-  15345.0000	   127.6	   126.7	 -5216.1	    96.2
-  15350.0000	   134.8	   126.7	 -5208.9	    96.3
-  15355.0000	   120.2	   126.7	 -5223.5	    96.3
-  15360.0000	   129.6	   126.7	 -5214.1	    96.3
-  15365.0000	   123.3	   126.8	 -5220.4	    96.3
-  15370.0000	   137.9	   126.8	 -5205.8	    96.3
-  15375.0000	   110.7	   126.8	 -5233.1	    96.3
-  15380.0000	   120.1	   126.8	 -5223.7	    96.3
-  15385.0000	   157.7	   126.8	 -5186.1	    96.3
-  15390.0000	   131.6	   126.8	 -5212.2	    96.4
-  15395.0000	   121.1	   126.8	 -5222.7	    96.4
-  15400.0000	   117.9	   126.8	 -5225.9	    96.4
-  15405.0000	   122.1	   126.9	 -5221.7	    96.4
-  15410.0000	   146.9	   126.9	 -5196.9	    96.4
-  15415.0000	   110.3	   126.9	 -5233.6	    96.4
-  15420.0000	   107.1	   126.9	 -5236.8	    96.4
-  15425.0000	   124.0	   126.9	 -5219.9	    96.4
-  15430.0000	   121.3	   126.9	 -5222.6	    96.5
-  15435.0000	   116.4	   126.9	 -5227.5	    96.5
-  15440.0000	   132.4	   126.9	 -5211.5	    96.5
-  15445.0000	   119.6	   127.0	 -5224.3	    96.5
-  15450.0000	   137.2	   127.0	 -5206.8	    96.5
-  15455.0000	   131.3	   127.0	 -5212.7	    96.5
-  15460.0000	   123.7	   127.0	 -5220.3	    96.5
-  15465.0000	   117.7	   127.0	 -5226.3	    96.6
-  15470.0000	   122.0	   127.0	 -5222.0	    96.6
-  15475.0000	   121.4	   127.0	 -5222.6	    96.6
-  15480.0000	   131.1	   127.1	 -5212.9	    96.6
-  15485.0000	   117.4	   127.1	 -5226.6	    96.6
-  15490.0000	   120.1	   127.1	 -5224.0	    96.6
-  15495.0000	   128.8	   127.1	 -5215.3	    96.6
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-  15505.0000	   141.3	   127.1	 -5202.8	    96.7
-  15510.0000	   123.2	   127.1	 -5220.9	    96.7
-  15515.0000	   140.7	   127.2	 -5203.4	    96.7
-  15520.0000	   138.9	   127.2	 -5205.2	    96.7
-  15525.0000	   131.2	   127.2	 -5213.0	    96.7
-  15530.0000	   123.9	   127.2	 -5220.3	    96.7
-  15535.0000	   122.8	   127.2	 -5221.4	    96.7
-  15540.0000	   108.7	   127.2	 -5235.5	    96.8
-  15545.0000	   151.9	   127.2	 -5192.3	    96.8
-  15550.0000	   133.6	   127.3	 -5210.6	    96.8
-  15555.0000	   110.2	   127.3	 -5234.0	    96.8
-  15560.0000	   109.3	   127.3	 -5235.0	    96.8
-  15565.0000	   146.1	   127.3	 -5198.2	    96.8
-  15570.0000	   123.1	   127.3	 -5221.2	    96.8
-  15575.0000	   128.7	   127.3	 -5215.6	    96.9
-  15580.0000	   138.9	   127.3	 -5205.4	    96.9
-  15585.0000	   105.3	   127.4	 -5239.0	    96.9
-  15590.0000	   119.2	   127.4	 -5225.1	    96.9
-  15595.0000	   126.1	   127.4	 -5218.3	    96.9
-  15600.0000	   132.9	   127.4	 -5211.5	    96.9
-  15605.0000	   120.5	   127.4	 -5223.9	    97.0
-  15610.0000	   121.0	   127.4	 -5223.4	    97.0
-  15615.0000	   132.4	   127.4	 -5212.0	    97.0
-  15620.0000	   119.9	   127.5	 -5224.5	    97.0
-  15625.0000	   115.4	   127.5	 -5229.0	    97.0
-  15630.0000	   129.4	   127.5	 -5215.1	    97.0
-  15635.0000	   117.1	   127.5	 -5227.4	    97.0
-  15640.0000	   125.0	   127.5	 -5219.5	    97.1
-  15645.0000	   125.0	   127.5	 -5219.5	    97.1
-  15650.0000	   138.3	   127.5	 -5206.2	    97.1
-  15655.0000	   116.6	   127.6	 -5227.9	    97.1
-  15660.0000	   108.6	   127.6	 -5236.0	    97.1
-  15665.0000	   118.8	   127.6	 -5225.8	    97.1
-  15670.0000	   127.5	   127.6	 -5217.1	    97.1
-  15675.0000	   125.2	   127.6	 -5219.4	    97.2
-  15680.0000	   148.2	   127.6	 -5196.4	    97.2
-  15685.0000	    96.5	   127.7	 -5248.1	    97.2
-  15690.0000	   113.2	   127.7	 -5231.4	    97.2
-  15695.0000	   110.9	   127.7	 -5233.8	    97.2
-  15700.0000	   121.3	   127.7	 -5223.4	    97.2
-  15705.0000	   138.9	   127.7	 -5205.8	    97.3
-  15710.0000	   105.7	   127.7	 -5239.0	    97.3
-  15715.0000	   116.1	   127.7	 -5228.6	    97.3
-  15720.0000	   133.5	   127.8	 -5211.2	    97.3
-  15725.0000	   128.4	   127.8	 -5216.4	    97.3
-  15730.0000	   123.7	   127.8	 -5221.1	    97.3
-  15735.0000	   122.6	   127.8	 -5222.2	    97.3
-  15740.0000	   152.9	   127.8	 -5191.9	    97.4
-  15745.0000	   126.7	   127.8	 -5218.1	    97.4
-  15750.0000	   140.7	   127.9	 -5204.1	    97.4
-  15755.0000	   119.6	   127.9	 -5225.2	    97.4
-  15760.0000	   114.9	   127.9	 -5230.0	    97.4
-  15765.0000	   147.3	   127.9	 -5197.6	    97.4
-  15770.0000	   124.9	   127.9	 -5220.0	    97.5
-  15775.0000	   126.1	   127.9	 -5218.8	    97.5
-  15780.0000	   125.1	   127.9	 -5219.8	    97.5
-  15785.0000	   113.7	   128.0	 -5231.2	    97.5
-  15790.0000	   150.5	   128.0	 -5194.5	    97.5
-  15795.0000	    99.5	   128.0	 -5245.5	    97.5
-  15800.0000	   149.6	   128.0	 -5195.4	    97.6
-  15805.0000	   104.8	   128.0	 -5240.2	    97.6
-  15810.0000	   142.9	   128.0	 -5202.1	    97.6
-  15815.0000	   136.9	   128.1	 -5208.1	    97.6
-  15820.0000	   122.9	   128.1	 -5222.2	    97.6
-  15825.0000	   116.1	   128.1	 -5229.0	    97.6
-  15830.0000	   122.1	   128.1	 -5223.0	    97.7
-  15835.0000	   128.4	   128.1	 -5216.7	    97.7
-  15840.0000	   121.2	   128.1	 -5223.9	    97.7
-  15845.0000	   139.6	   128.2	 -5205.5	    97.7
-  15850.0000	   133.6	   128.2	 -5211.6	    97.7
-  15855.0000	   130.2	   128.2	 -5215.0	    97.7
-  15860.0000	   153.1	   128.2	 -5192.1	    97.8
-  15865.0000	   127.0	   128.2	 -5218.2	    97.8
-  15870.0000	   124.6	   128.2	 -5220.6	    97.8
-  15875.0000	   123.6	   128.3	 -5221.6	    97.8
-  15880.0000	   111.5	   128.3	 -5233.8	    97.8
-  15885.0000	   124.0	   128.3	 -5221.3	    97.8
-  15890.0000	   129.1	   128.3	 -5216.2	    97.9
-  15895.0000	   124.3	   128.3	 -5221.0	    97.9
-  15900.0000	   125.5	   128.3	 -5219.8	    97.9
-  15905.0000	   128.3	   128.4	 -5217.0	    97.9
-  15910.0000	   121.3	   128.4	 -5224.1	    97.9
-  15915.0000	   150.7	   128.4	 -5194.7	    97.9
-  15920.0000	   120.0	   128.4	 -5225.4	    98.0
-  15925.0000	   120.4	   128.4	 -5225.0	    98.0
-  15930.0000	   123.1	   128.4	 -5222.3	    98.0
-  15935.0000	   137.8	   128.5	 -5207.6	    98.0
-  15940.0000	   164.1	   128.5	 -5181.4	    98.0
-  15945.0000	   109.8	   128.5	 -5235.7	    98.0
-  15950.0000	   142.2	   128.5	 -5203.3	    98.1
-  15955.0000	   131.1	   128.5	 -5214.4	    98.1
-  15960.0000	   159.9	   128.6	 -5185.6	    98.1
-  15965.0000	   150.3	   128.6	 -5195.2	    98.1
-  15970.0000	   180.1	   128.6	 -5165.5	    98.1
-  15975.0000	   200.0	   128.6	 -5145.6	    98.1
-  15980.0000	   189.4	   128.6	 -5156.2	    98.2
-  15985.0000	   179.7	   128.6	 -5165.9	    98.2
-  15990.0000	   172.2	   128.7	 -5173.4	    98.2
-  15995.0000	   208.4	   128.7	 -5137.3	    98.2
-  16000.0000	   201.5	   128.7	 -5144.2	    98.2
-  16005.0000	   203.1	   128.7	 -5142.6	    98.2
-  16010.0000	   186.8	   128.7	 -5158.9	    98.3
-  16015.0000	   200.5	   128.7	 -5145.2	    98.3
-  16020.0000	   180.1	   128.8	 -5165.6	    98.3
-  16025.0000	   204.0	   128.8	 -5141.8	    98.3
-  16030.0000	   200.2	   128.8	 -5145.6	    98.3
-  16035.0000	   168.8	   128.8	 -5177.0	    98.4
-  16040.0000	   159.4	   128.8	 -5186.4	    98.4
-  16045.0000	   172.0	   128.9	 -5173.8	    98.4
-  16050.0000	   136.6	   128.9	 -5209.2	    98.4
-  16055.0000	   163.2	   128.9	 -5182.7	    98.4
-  16060.0000	   161.3	   128.9	 -5184.6	    98.4
-  16065.0000	   147.3	   128.9	 -5198.6	    98.5
-  16070.0000	   140.9	   128.9	 -5205.0	    98.5
-  16075.0000	   151.1	   129.0	 -5194.8	    98.5
-  16080.0000	   137.6	   129.0	 -5208.4	    98.5
-  16085.0000	   150.4	   129.0	 -5195.6	    98.5
-  16090.0000	   133.8	   129.0	 -5212.2	    98.6
-  16095.0000	   123.8	   129.0	 -5222.2	    98.6
-  16100.0000	   124.0	   129.1	 -5222.0	    98.6
-  16105.0000	   113.8	   129.1	 -5232.2	    98.6
-  16110.0000	   154.7	   129.1	 -5191.4	    98.6
-  16115.0000	   121.6	   129.1	 -5224.5	    98.6
-  16120.0000	   143.7	   129.1	 -5202.4	    98.7
-  16125.0000	   127.0	   129.1	 -5219.1	    98.7
-  16130.0000	   143.7	   129.2	 -5202.4	    98.7
-  16135.0000	   143.8	   129.2	 -5202.4	    98.7
-  16140.0000	   133.8	   129.2	 -5212.4	    98.7
-  16145.0000	   144.1	   129.2	 -5202.1	    98.8
-  16150.0000	    88.9	   129.2	 -5257.3	    98.8
-  16155.0000	   146.9	   129.3	 -5199.3	    98.8
-  16160.0000	   131.6	   129.3	 -5214.7	    98.8
-  16165.0000	   139.4	   129.3	 -5206.9	    98.8
-  16170.0000	   148.6	   129.3	 -5197.7	    98.9
-  16175.0000	   122.9	   129.3	 -5223.4	    98.9
-  16180.0000	   146.2	   129.4	 -5200.1	    98.9
-  16185.0000	   144.9	   129.4	 -5201.4	    98.9
-  16190.0000	   121.8	   129.4	 -5224.6	    98.9
-  16195.0000	   145.3	   129.4	 -5201.1	    98.9
-  16200.0000	   131.1	   129.4	 -5215.3	    99.0
-  16205.0000	   140.3	   129.4	 -5206.1	    99.0
-  16210.0000	   135.1	   129.5	 -5211.3	    99.0
-  16215.0000	   134.0	   129.5	 -5212.5	    99.0
-  16220.0000	   137.9	   129.5	 -5208.6	    99.0
-  16225.0000	   104.2	   129.5	 -5242.3	    99.1
-  16230.0000	   117.2	   129.5	 -5229.3	    99.1
-  16235.0000	   140.8	   129.6	 -5205.7	    99.1
-  16240.0000	   126.5	   129.6	 -5220.1	    99.1
-  16245.0000	   124.0	   129.6	 -5222.6	    99.1
-  16250.0000	   129.2	   129.6	 -5217.4	    99.2
-  16255.0000	   118.9	   129.6	 -5227.7	    99.2
-  16260.0000	   134.5	   129.7	 -5212.1	    99.2
-  16265.0000	    99.4	   129.7	 -5247.3	    99.2
-  16270.0000	   113.8	   129.7	 -5232.9	    99.2
-  16275.0000	   130.9	   129.7	 -5215.8	    99.3
-  16280.0000	   111.4	   129.7	 -5235.3	    99.3
-  16285.0000	   132.3	   129.8	 -5214.4	    99.3
-  16290.0000	   138.9	   129.8	 -5207.9	    99.3
-  16295.0000	   142.9	   129.8	 -5203.9	    99.3
-  16300.0000	   151.0	   129.8	 -5195.8	    99.4
-  16305.0000	   122.1	   129.8	 -5224.7	    99.4
-  16310.0000	   140.5	   129.9	 -5206.3	    99.4
-  16315.0000	   145.8	   129.9	 -5201.0	    99.4
-  16320.0000	   122.2	   129.9	 -5224.7	    99.4
-  16325.0000	    99.9	   129.9	 -5247.0	    99.5
-  16330.0000	   132.8	   129.9	 -5214.1	    99.5
-  16335.0000	   135.5	   130.0	 -5211.4	    99.5
-  16340.0000	   135.5	   130.0	 -5211.4	    99.5
-  16345.0000	   142.1	   130.0	 -5204.9	    99.5
-  16350.0000	   130.3	   130.0	 -5216.7	    99.6
-  16355.0000	   150.1	   130.0	 -5196.9	    99.6
-  16360.0000	   125.1	   130.1	 -5221.9	    99.6
-  16365.0000	   160.6	   130.1	 -5186.4	    99.6
-  16370.0000	   130.4	   130.1	 -5216.7	    99.6
-  16375.0000	   146.4	   130.1	 -5200.7	    99.6
-  16380.0000	   113.4	   130.1	 -5233.7	    99.7
-  16385.0000	   160.9	   130.2	 -5186.2	    99.7
-  16390.0000	   138.6	   130.2	 -5208.5	    99.7
-  16395.0000	   132.1	   130.2	 -5215.1	    99.7
-  16400.0000	   132.1	   130.2	 -5215.1	    99.8
-  16405.0000	   141.3	   130.2	 -5205.9	    99.8
-  16410.0000	   136.3	   130.3	 -5210.9	    99.8
-  16415.0000	   153.5	   130.3	 -5193.7	    99.8
-  16420.0000	   136.3	   130.3	 -5211.0	    99.8
-  16425.0000	   123.0	   130.3	 -5224.3	    99.9
-  16430.0000	   143.2	   130.3	 -5204.1	    99.9
-  16435.0000	   143.2	   130.4	 -5204.1	    99.9
-  16440.0000	   137.9	   130.4	 -5209.5	    99.9
-  16445.0000	   120.7	   130.4	 -5226.7	    99.9
-  16450.0000	   163.6	   130.4	 -5183.8	   100.0
-  16455.0000	    95.8	   130.4	 -5251.6	   100.0
-  16460.0000	   126.3	   130.5	 -5221.1	   100.0
-  16465.0000	   150.5	   130.5	 -5197.0	   100.0
-  16470.0000	   126.8	   130.5	 -5220.7	   100.0
-  16475.0000	   140.1	   130.5	 -5207.4	   100.1
-  16480.0000	   140.1	   130.5	 -5207.4	   100.1
-  16485.0000	   133.6	   130.6	 -5213.9	   100.1
-  16490.0000	   129.9	   130.6	 -5217.7	   100.1
-  16495.0000	   142.0	   130.6	 -5205.6	   100.1
-  16500.0000	   140.6	   130.6	 -5207.0	   100.2
-  16505.0000	   150.1	   130.6	 -5197.5	   100.2
-  16510.0000	   124.9	   130.7	 -5222.7	   100.2
-  16515.0000	   119.6	   130.7	 -5228.1	   100.2
-  16520.0000	   125.1	   130.7	 -5222.6	   100.2
-  16525.0000	   130.5	   130.7	 -5217.2	   100.3
-  16530.0000	   114.7	   130.7	 -5233.0	   100.3
-  16535.0000	   128.2	   130.8	 -5219.5	   100.3
-  16540.0000	   147.2	   130.8	 -5200.6	   100.3
-  16545.0000	   108.1	   130.8	 -5239.7	   100.3
-  16550.0000	   138.1	   130.8	 -5209.7	   100.4
-  16555.0000	   138.1	   130.8	 -5209.7	   100.4
-  16560.0000	   124.7	   130.9	 -5223.1	   100.4
-  16565.0000	   128.8	   130.9	 -5219.1	   100.4
-  16570.0000	   144.0	   130.9	 -5203.9	   100.5
-  16575.0000	   125.1	   130.9	 -5222.8	   100.5
-  16580.0000	   108.8	   131.0	 -5239.1	   100.5
-  16585.0000	   141.4	   131.0	 -5206.6	   100.5
-  16590.0000	   139.0	   131.0	 -5209.0	   100.5
-  16595.0000	   121.4	   131.0	 -5226.6	   100.6
-  16600.0000	   125.5	   131.0	 -5222.5	   100.6
-  16605.0000	   114.6	   131.1	 -5233.4	   100.6
-  16610.0000	   101.1	   131.1	 -5247.0	   100.6
-  16615.0000	   131.3	   131.1	 -5216.8	   100.6
-  16620.0000	   132.6	   131.1	 -5215.5	   100.7
-  16625.0000	   139.7	   131.1	 -5208.4	   100.7
-  16630.0000	   134.2	   131.2	 -5213.9	   100.7
-  16635.0000	   133.0	   131.2	 -5215.2	   100.7
-  16640.0000	   141.3	   131.2	 -5206.9	   100.7
-  16645.0000	   133.3	   131.2	 -5214.9	   100.8
-  16650.0000	   115.5	   131.3	 -5232.7	   100.8
-  16655.0000	   141.6	   131.3	 -5206.6	   100.8
-  16660.0000	   145.7	   131.3	 -5202.6	   100.8
-  16665.0000	   146.0	   131.3	 -5202.3	   100.9
-  16670.0000	   132.3	   131.3	 -5216.0	   100.9
-  16675.0000	   130.9	   131.4	 -5217.4	   100.9
-  16680.0000	   107.5	   131.4	 -5240.9	   100.9
-  16685.0000	   128.3	   131.4	 -5220.1	   100.9
-  16690.0000	   136.8	   131.4	 -5211.6	   101.0
-  16695.0000	   140.9	   131.4	 -5207.5	   101.0
-  16700.0000	   121.6	   131.5	 -5226.8	   101.0
-  16705.0000	   130.2	   131.5	 -5218.3	   101.0
-  16710.0000	   135.7	   131.5	 -5212.8	   101.0
-  16715.0000	   119.1	   131.5	 -5229.4	   101.1
-  16720.0000	   115.0	   131.6	 -5233.5	   101.1
-  16725.0000	   143.0	   131.6	 -5205.5	   101.1
-  16730.0000	   133.3	   131.6	 -5215.3	   101.1
-  16735.0000	   166.6	   131.6	 -5182.0	   101.2
-  16740.0000	   136.0	   131.6	 -5212.6	   101.2
-  16745.0000	   132.2	   131.7	 -5216.4	   101.2
-  16750.0000	   125.2	   131.7	 -5223.5	   101.2
-  16755.0000	   123.8	   131.7	 -5224.9	   101.2
-  16760.0000	   129.5	   131.7	 -5219.2	   101.3
-  16765.0000	   121.3	   131.7	 -5227.4	   101.3
-  16770.0000	   156.1	   131.8	 -5192.6	   101.3
-  16775.0000	   106.0	   131.8	 -5242.8	   101.3
-  16780.0000	   101.9	   131.8	 -5246.9	   101.4
-  16785.0000	   139.7	   131.8	 -5209.1	   101.4
-  16790.0000	   128.5	   131.9	 -5220.3	   101.4
-  16795.0000	   120.1	   131.9	 -5228.8	   101.4
-  16800.0000	   124.5	   131.9	 -5224.4	   101.4
-  16805.0000	   138.6	   131.9	 -5210.3	   101.5
-  16810.0000	   127.4	   131.9	 -5221.5	   101.5
-  16815.0000	   149.8	   132.0	 -5199.1	   101.5
-  16820.0000	   127.6	   132.0	 -5221.4	   101.5
-  16825.0000	   113.7	   132.0	 -5235.3	   101.5
-  16830.0000	   113.7	   132.0	 -5235.3	   101.6
-  16835.0000	   139.1	   132.1	 -5209.9	   101.6
-  16840.0000	   150.3	   132.1	 -5198.8	   101.6
-  16845.0000	   105.4	   132.1	 -5243.7	   101.6
-  16850.0000	   139.2	   132.1	 -5209.9	   101.7
-  16855.0000	   123.9	   132.1	 -5225.2	   101.7
-  16860.0000	   125.4	   132.2	 -5223.7	   101.7
-  16865.0000	   126.8	   132.2	 -5222.4	   101.7
-  16870.0000	   126.8	   132.2	 -5222.4	   101.7
-  16875.0000	   118.5	   132.2	 -5230.7	   101.8
-  16880.0000	   135.5	   132.3	 -5213.7	   101.8
-  16885.0000	   166.6	   132.3	 -5182.7	   101.8
-  16890.0000	   140.0	   132.3	 -5209.3	   101.8
-  16895.0000	   113.1	   132.3	 -5236.2	   101.9
-  16900.0000	   162.7	   132.3	 -5186.6	   101.9
-  16905.0000	   140.1	   132.4	 -5209.2	   101.9
-  16910.0000	   123.3	   132.4	 -5226.1	   101.9
-  16915.0000	   111.9	   132.4	 -5237.5	   101.9
-  16920.0000	   134.7	   132.4	 -5214.7	   102.0
-  16925.0000	   147.5	   132.5	 -5201.9	   102.0
-  16930.0000	   123.6	   132.5	 -5225.9	   102.0
-  16935.0000	   132.1	   132.5	 -5217.4	   102.0
-  16940.0000	   157.8	   132.5	 -5191.7	   102.1
-  16945.0000	   133.9	   132.5	 -5215.6	   102.1
-  16950.0000	   146.7	   132.6	 -5202.8	   102.1
-  16955.0000	   152.4	   132.6	 -5197.2	   102.1
-  16960.0000	   108.3	   132.6	 -5241.3	   102.1
-  16965.0000	   122.7	   132.6	 -5226.9	   102.2
-  16970.0000	   149.8	   132.7	 -5199.8	   102.2
-  16975.0000	   156.9	   132.7	 -5192.8	   102.2
-  16980.0000	   128.5	   132.7	 -5221.2	   102.2
-  16985.0000	   130.0	   132.7	 -5219.7	   102.3
-  16990.0000	   120.0	   132.7	 -5229.7	   102.3
-  16995.0000	   151.5	   132.8	 -5198.2	   102.3
-  17000.0000	   113.0	   132.8	 -5236.8	   102.3
-  17005.0000	   140.3	   132.8	 -5209.5	   102.3
-  17010.0000	   134.6	   132.8	 -5215.2	   102.4
-  17015.0000	   124.6	   132.9	 -5225.2	   102.4
-  17020.0000	   163.6	   132.9	 -5186.3	   102.4
-  17025.0000	   123.4	   132.9	 -5226.5	   102.4
-  17030.0000	   122.0	   132.9	 -5227.9	   102.5
-  17035.0000	   130.6	   132.9	 -5219.3	   102.5
-  17040.0000	   139.6	   133.0	 -5210.3	   102.5
-  17045.0000	   119.4	   133.0	 -5230.6	   102.5
-  17050.0000	   143.9	   133.0	 -5206.1	   102.5
-  17055.0000	   159.7	   133.0	 -5190.3	   102.6
-  17060.0000	   134.2	   133.1	 -5215.8	   102.6
-  17065.0000	   129.8	   133.1	 -5220.3	   102.6
-  17070.0000	   147.2	   133.1	 -5202.9	   102.6
-  17075.0000	   125.9	   133.1	 -5224.2	   102.7
-  17080.0000	   117.2	   133.1	 -5232.9	   102.7
-  17085.0000	   166.4	   133.2	 -5183.7	   102.7
-  17090.0000	   164.9	   133.2	 -5185.3	   102.7
-  17095.0000	   126.2	   133.2	 -5224.0	   102.8
-  17100.0000	   127.7	   133.2	 -5222.5	   102.8
-  17105.0000	   143.6	   133.3	 -5206.6	   102.8
-  17110.0000	   139.3	   133.3	 -5211.0	   102.8
-  17115.0000	   122.1	   133.3	 -5228.2	   102.8
-  17120.0000	   127.9	   133.3	 -5222.4	   102.9
-  17125.0000	   132.2	   133.3	 -5218.1	   102.9
-  17130.0000	   107.7	   133.4	 -5242.6	   102.9
-  17135.0000	   132.6	   133.4	 -5217.8	   102.9
-  17140.0000	   134.0	   133.4	 -5216.4	   103.0
-  17145.0000	   129.7	   133.4	 -5220.7	   103.0
-  17150.0000	   138.6	   133.5	 -5211.8	   103.0
-  17155.0000	   125.7	   133.5	 -5224.8	   103.0
-  17160.0000	   146.2	   133.5	 -5204.3	   103.0
-  17165.0000	   156.4	   133.5	 -5194.1	   103.1
-  17170.0000	   139.0	   133.6	 -5211.5	   103.1
-  17175.0000	   129.0	   133.6	 -5221.6	   103.1
-  17180.0000	   142.2	   133.6	 -5208.4	   103.1
-  17185.0000	   131.9	   133.6	 -5218.7	   103.2
-  17190.0000	   129.2	   133.6	 -5221.4	   103.2
-  17195.0000	   123.5	   133.7	 -5227.1	   103.2
-  17200.0000	   147.0	   133.7	 -5203.7	   103.2
-  17205.0000	   125.2	   133.7	 -5225.5	   103.3
-  17210.0000	   104.6	   133.7	 -5246.1	   103.3
-  17215.0000	   159.2	   133.8	 -5191.5	   103.3
-  17220.0000	   146.0	   133.8	 -5204.8	   103.3
-  17225.0000	   113.7	   133.8	 -5237.1	   103.3
-  17230.0000	   118.1	   133.8	 -5232.7	   103.4
-  17235.0000	   124.2	   133.8	 -5226.6	   103.4
-  17240.0000	   122.7	   133.9	 -5228.1	   103.4
-  17245.0000	   130.3	   133.9	 -5220.6	   103.4
-  17250.0000	   122.9	   133.9	 -5228.0	   103.5
-  17255.0000	   127.5	   133.9	 -5223.4	   103.5
-  17260.0000	   111.4	   134.0	 -5239.5	   103.5
-  17265.0000	   158.9	   134.0	 -5192.1	   103.5
-  17270.0000	   127.7	   134.0	 -5223.3	   103.5
-  17275.0000	   114.5	   134.0	 -5236.5	   103.6
-  17280.0000	   117.6	   134.1	 -5233.4	   103.6
-  17285.0000	   131.1	   134.1	 -5220.0	   103.6
-  17290.0000	   120.6	   134.1	 -5230.5	   103.6
-  17295.0000	   159.6	   134.1	 -5191.5	   103.7
-  17300.0000	   127.0	   134.1	 -5224.1	   103.7
-  17305.0000	   146.4	   134.2	 -5204.7	   103.7
-  17310.0000	   127.2	   134.2	 -5224.0	   103.7
-  17315.0000	   138.0	   134.2	 -5213.2	   103.7
-  17320.0000	   121.5	   134.2	 -5229.7	   103.8
-  17325.0000	   141.0	   134.3	 -5210.2	   103.8
-  17330.0000	   121.6	   134.3	 -5229.7	   103.8
-  17335.0000	   146.0	   134.3	 -5205.3	   103.8
-  17340.0000	   120.4	   134.3	 -5230.9	   103.9
-  17345.0000	   112.9	   134.3	 -5238.4	   103.9
-  17350.0000	   129.6	   134.4	 -5221.7	   103.9
-  17355.0000	   126.8	   134.4	 -5224.6	   103.9
-  17360.0000	   144.9	   134.4	 -5206.5	   104.0
-  17365.0000	   137.4	   134.4	 -5214.0	   104.0
-  17370.0000	   122.5	   134.5	 -5228.9	   104.0
-  17375.0000	   118.2	   134.5	 -5233.3	   104.0
-  17380.0000	   131.8	   134.5	 -5219.7	   104.0
-  17385.0000	   124.2	   134.5	 -5227.3	   104.1
-  17390.0000	   138.3	   134.6	 -5213.2	   104.1
-  17395.0000	   145.9	   134.6	 -5205.7	   104.1
-  17400.0000	   150.5	   134.6	 -5201.1	   104.1
-  17405.0000	   112.5	   134.6	 -5239.1	   104.2
-  17410.0000	   117.4	   134.6	 -5234.2	   104.2
-  17415.0000	   137.2	   134.7	 -5214.4	   104.2
-  17420.0000	   154.0	   134.7	 -5197.7	   104.2
-  17425.0000	   126.5	   134.7	 -5225.2	   104.2
-  17430.0000	   131.6	   134.7	 -5220.1	   104.3
-  17435.0000	   137.7	   134.8	 -5214.0	   104.3
-  17440.0000	   146.9	   134.8	 -5204.9	   104.3
-  17445.0000	   144.1	   134.8	 -5207.7	   104.3
-  17450.0000	   113.7	   134.8	 -5238.1	   104.4
-  17455.0000	   167.4	   134.8	 -5184.4	   104.4
-  17460.0000	   147.5	   134.9	 -5204.3	   104.4
-  17465.0000	   135.4	   134.9	 -5216.5	   104.4
-  17470.0000	   144.9	   134.9	 -5207.0	   104.5
-  17475.0000	   123.3	   134.9	 -5228.6	   104.5
-  17480.0000	   143.3	   135.0	 -5208.6	   104.5
-  17485.0000	   151.3	   135.0	 -5200.7	   104.5
-  17490.0000	   120.7	   135.0	 -5231.3	   104.5
-  17495.0000	   136.1	   135.0	 -5215.9	   104.6
-  17500.0000	   159.6	   135.1	 -5192.4	   104.6
-  17505.0000	   139.4	   135.1	 -5212.6	   104.6
-  17510.0000	   121.0	   135.1	 -5231.1	   104.6
-  17515.0000	   136.5	   135.1	 -5215.6	   104.7
-  17520.0000	   125.9	   135.1	 -5226.2	   104.7
-  17525.0000	   132.3	   135.2	 -5219.8	   104.7
-  17530.0000	   144.8	   135.2	 -5207.4	   104.7
-  17535.0000	   109.0	   135.2	 -5243.2	   104.7
-  17540.0000	   148.2	   135.2	 -5204.0	   104.8
-  17545.0000	   107.8	   135.3	 -5244.4	   104.8
-  17550.0000	   126.6	   135.3	 -5225.7	   104.8
-  17555.0000	   146.9	   135.3	 -5205.4	   104.8
-  17560.0000	   108.1	   135.3	 -5244.2	   104.9
-  17565.0000	   128.6	   135.3	 -5223.7	   104.9
-  17570.0000	   128.6	   135.4	 -5223.7	   104.9
-  17575.0000	   136.7	   135.4	 -5215.7	   104.9
-  17580.0000	   161.8	   135.4	 -5190.6	   105.0
-  17585.0000	   118.1	   135.4	 -5234.3	   105.0
-  17590.0000	   119.6	   135.5	 -5232.8	   105.0
-  17595.0000	   134.0	   135.5	 -5218.5	   105.0
-  17600.0000	   124.5	   135.5	 -5228.0	   105.0
-  17605.0000	   134.2	   135.5	 -5218.3	   105.1
-  17610.0000	   135.8	   135.5	 -5216.7	   105.1
-  17615.0000	   150.3	   135.6	 -5202.2	   105.1
-  17620.0000	   144.0	   135.6	 -5208.6	   105.1
-  17625.0000	   122.1	   135.6	 -5230.5	   105.2
-  17630.0000	   147.7	   135.6	 -5204.9	   105.2
-  17635.0000	   127.0	   135.7	 -5225.6	   105.2
-  17640.0000	   133.4	   135.7	 -5219.3	   105.2
-  17645.0000	   143.2	   135.7	 -5209.5	   105.2
-  17650.0000	   116.4	   135.7	 -5236.3	   105.3
-  17655.0000	   124.4	   135.7	 -5228.3	   105.3
-  17660.0000	   116.4	   135.8	 -5236.3	   105.3
-  17665.0000	   116.6	   135.8	 -5236.2	   105.3
-  17670.0000	   129.6	   135.8	 -5223.2	   105.4
-  17675.0000	   129.6	   135.8	 -5223.2	   105.4
-  17680.0000	   129.6	   135.9	 -5223.2	   105.4
-  17685.0000	   147.5	   135.9	 -5205.4	   105.4
-  17690.0000	   143.0	   135.9	 -5209.9	   105.4
-  17695.0000	   130.1	   135.9	 -5222.8	   105.5
-  17700.0000	   128.5	   135.9	 -5224.4	   105.5
-  17705.0000	   117.8	   136.0	 -5235.1	   105.5
-  17710.0000	   146.8	   136.0	 -5206.2	   105.5
-  17715.0000	   125.9	   136.0	 -5227.1	   105.6
-  17720.0000	   145.2	   136.0	 -5207.8	   105.6
-  17725.0000	   131.2	   136.1	 -5221.8	   105.6
-  17730.0000	   128.0	   136.1	 -5225.1	   105.6
-  17735.0000	   132.8	   136.1	 -5220.3	   105.6
-  17740.0000	   132.8	   136.1	 -5220.3	   105.7
-  17745.0000	   136.6	   136.1	 -5216.5	   105.7
-  17750.0000	    99.2	   136.2	 -5253.9	   105.7
-  17755.0000	   125.2	   136.2	 -5228.0	   105.7
-  17760.0000	   122.5	   136.2	 -5230.7	   105.8
-  17765.0000	   120.9	   136.2	 -5232.3	   105.8
-  17770.0000	   140.5	   136.3	 -5212.7	   105.8
-  17775.0000	   151.9	   136.3	 -5201.4	   105.8
-  17780.0000	   116.4	   136.3	 -5236.9	   105.8
-  17785.0000	   132.8	   136.3	 -5220.5	   105.9
-  17790.0000	   127.8	   136.3	 -5225.5	   105.9
-  17795.0000	   142.6	   136.4	 -5210.7	   105.9
-  17800.0000	   116.8	   136.4	 -5236.6	   105.9
-  17805.0000	   148.1	   136.4	 -5205.3	   106.0
-  17810.0000	   158.0	   136.4	 -5195.4	   106.0
-  17815.0000	   150.0	   136.5	 -5203.4	   106.0
-  17820.0000	   130.5	   136.5	 -5223.0	   106.0
-  17825.0000	   133.8	   136.5	 -5219.7	   106.0
-  17830.0000	   142.0	   136.5	 -5211.5	   106.1
-  17835.0000	   145.6	   136.5	 -5207.9	   106.1
-  17840.0000	   159.2	   136.6	 -5194.3	   106.1
-  17845.0000	   165.8	   136.6	 -5187.8	   106.1
-  17850.0000	   157.5	   136.6	 -5196.1	   106.1
-  17855.0000	   147.9	   136.6	 -5205.7	   106.2
-  17860.0000	   151.5	   136.7	 -5202.1	   106.2
-  17865.0000	   133.2	   136.7	 -5220.5	   106.2
-  17870.0000	   139.8	   136.7	 -5213.9	   106.2
-  17875.0000	   158.5	   136.7	 -5195.2	   106.3
-  17880.0000	   122.0	   136.7	 -5231.7	   106.3
-  17885.0000	   142.0	   136.8	 -5211.7	   106.3
-  17890.0000	   142.2	   136.8	 -5211.6	   106.3
-  17895.0000	   179.1	   136.8	 -5174.7	   106.3
-  17900.0000	   144.2	   136.8	 -5209.6	   106.4
-  17905.0000	   152.5	   136.9	 -5201.3	   106.4
-  17910.0000	   139.4	   136.9	 -5214.4	   106.4
-  17915.0000	   115.9	   136.9	 -5238.0	   106.4
-  17920.0000	   151.4	   136.9	 -5202.5	   106.5
-  17925.0000	   119.5	   136.9	 -5234.4	   106.5
-  17930.0000	   143.3	   137.0	 -5210.6	   106.5
-  17935.0000	   153.4	   137.0	 -5200.6	   106.5
-  17940.0000	   160.4	   137.0	 -5193.6	   106.5
-  17945.0000	   169.2	   137.0	 -5184.8	   106.6
-  17950.0000	   126.9	   137.0	 -5227.1	   106.6
-  17955.0000	   138.8	   137.1	 -5215.2	   106.6
-  17960.0000	   145.8	   137.1	 -5208.3	   106.6
-  17965.0000	   183.5	   137.1	 -5170.6	   106.6
-  17970.0000	   166.5	   137.1	 -5187.6	   106.7
-  17975.0000	   151.6	   137.2	 -5202.5	   106.7
-  17980.0000	   156.7	   137.2	 -5197.4	   106.7
-  17985.0000	   148.5	   137.2	 -5205.7	   106.7
-  17990.0000	   189.5	   137.2	 -5164.7	   106.8
-  17995.0000	   200.2	   137.2	 -5154.0	   106.8
-  18000.0000	   145.7	   137.3	 -5208.5	   106.8
-  18005.0000	   168.0	   137.3	 -5186.3	   106.8
-  18010.0000	   157.7	   137.3	 -5196.6	   106.8
-  18015.0000	   171.7	   137.3	 -5182.6	   106.9
-  18020.0000	   206.5	   137.3	 -5147.8	   106.9
-  18025.0000	   172.1	   137.4	 -5182.2	   106.9
-  18030.0000	   165.2	   137.4	 -5189.2	   106.9
-  18035.0000	   181.0	   137.4	 -5173.4	   106.9
-  18040.0000	   145.1	   137.4	 -5209.3	   107.0
-  18045.0000	   148.6	   137.4	 -5205.8	   107.0
-  18050.0000	   153.8	   137.5	 -5200.6	   107.0
-  18055.0000	   142.0	   137.5	 -5212.5	   107.0
-  18060.0000	   142.3	   137.5	 -5212.2	   107.1
-  18065.0000	   152.7	   137.5	 -5201.8	   107.1
-  18070.0000	   145.7	   137.6	 -5208.8	   107.1
-  18075.0000	   130.7	   137.6	 -5223.9	   107.1
-  18080.0000	   111.5	   137.6	 -5243.1	   107.1
-  18085.0000	   149.8	   137.6	 -5204.8	   107.2
-  18090.0000	   106.3	   137.6	 -5248.3	   107.2
-  18095.0000	   129.4	   137.7	 -5225.2	   107.2
-  18100.0000	   136.4	   137.7	 -5218.3	   107.2
-  18105.0000	   134.7	   137.7	 -5220.0	   107.2
-  18110.0000	   103.2	   137.7	 -5251.5	   107.3
-  18115.0000	   158.1	   137.7	 -5196.6	   107.3
-  18120.0000	   119.5	   137.8	 -5235.2	   107.3
-  18125.0000	   142.3	   137.8	 -5212.5	   107.3
-  18130.0000	   132.1	   137.8	 -5222.7	   107.3
-  18135.0000	   139.4	   137.8	 -5215.4	   107.4
-  18140.0000	   141.2	   137.8	 -5213.6	   107.4
-  18145.0000	   141.2	   137.9	 -5213.6	   107.4
-  18150.0000	   113.2	   137.9	 -5241.7	   107.4
-  18155.0000	   113.4	   137.9	 -5241.5	   107.4
-  18160.0000	   129.4	   137.9	 -5225.5	   107.5
-  18165.0000	   129.4	   137.9	 -5225.5	   107.5
-  18170.0000	   165.2	   138.0	 -5189.7	   107.5
-  18175.0000	   117.5	   138.0	 -5237.5	   107.5
-  18180.0000	   117.5	   138.0	 -5237.5	   107.5
-  18185.0000	   112.4	   138.0	 -5242.6	   107.6
-  18190.0000	   137.4	   138.1	 -5217.6	   107.6
-  18195.0000	   148.3	   138.1	 -5206.7	   107.6
-  18200.0000	   130.5	   138.1	 -5224.6	   107.6
-  18205.0000	   121.8	   138.1	 -5233.3	   107.7
-  18210.0000	   111.3	   138.1	 -5243.8	   107.7
-  18215.0000	   129.2	   138.2	 -5225.9	   107.7
-  18220.0000	   136.4	   138.2	 -5218.7	   107.7
-  18225.0000	   125.9	   138.2	 -5229.3	   107.7
-  18230.0000	   156.9	   138.2	 -5198.3	   107.8
-  18235.0000	   135.2	   138.2	 -5220.0	   107.8
-  18240.0000	   140.7	   138.3	 -5214.5	   107.8
-  18245.0000	   130.1	   138.3	 -5225.1	   107.8
-  18250.0000	   137.6	   138.3	 -5217.7	   107.8
-  18255.0000	   143.0	   138.3	 -5212.3	   107.9
-  18260.0000	   132.5	   138.3	 -5222.8	   107.9
-  18265.0000	   156.0	   138.4	 -5199.3	   107.9
-  18270.0000	   118.2	   138.4	 -5237.1	   107.9
-  18275.0000	   127.3	   138.4	 -5228.1	   107.9
-  18280.0000	   155.0	   138.4	 -5200.4	   108.0
-  18285.0000	   155.0	   138.4	 -5200.4	   108.0
-  18290.0000	   127.9	   138.5	 -5227.5	   108.0
-  18295.0000	   126.1	   138.5	 -5229.3	   108.0
-  18300.0000	   130.0	   138.5	 -5225.5	   108.0
-  18305.0000	   135.5	   138.5	 -5220.0	   108.1
-  18310.0000	   124.8	   138.5	 -5230.7	   108.1
-  18315.0000	   152.7	   138.6	 -5202.8	   108.1
-  18320.0000	   141.7	   138.6	 -5213.8	   108.1
-  18325.0000	   149.1	   138.6	 -5206.5	   108.1
-  18330.0000	   132.8	   138.6	 -5222.8	   108.1
-  18335.0000	   105.4	   138.6	 -5250.2	   108.2
-  18340.0000	   144.2	   138.7	 -5211.4	   108.2
-  18345.0000	   131.2	   138.7	 -5224.4	   108.2
-  18350.0000	   129.7	   138.7	 -5226.0	   108.2
-  18355.0000	   143.0	   138.7	 -5212.7	   108.2
-  18360.0000	   118.8	   138.7	 -5236.9	   108.3
-  18365.0000	   128.1	   138.7	 -5227.6	   108.3
-  18370.0000	   121.2	   138.8	 -5234.5	   108.3
-  18375.0000	   156.6	   138.8	 -5199.2	   108.3
-  18380.0000	   136.1	   138.8	 -5219.7	   108.3
-  18385.0000	   113.7	   138.8	 -5242.1	   108.4
-  18390.0000	   101.1	   138.8	 -5254.7	   108.4
-  18395.0000	   138.5	   138.9	 -5217.3	   108.4
-  18400.0000	   140.4	   138.9	 -5215.5	   108.4
-  18405.0000	   144.1	   138.9	 -5211.8	   108.4
-  18410.0000	   116.5	   138.9	 -5239.4	   108.5
-  18415.0000	   146.6	   138.9	 -5209.3	   108.5
-  18420.0000	   122.2	   139.0	 -5233.7	   108.5
-  18425.0000	   122.2	   139.0	 -5233.8	   108.5
-  18430.0000	   137.8	   139.0	 -5218.2	   108.5
-  18435.0000	   117.1	   139.0	 -5238.9	   108.6
-  18440.0000	   143.5	   139.0	 -5212.5	   108.6
-  18445.0000	   129.0	   139.1	 -5227.0	   108.6
-  18450.0000	   130.9	   139.1	 -5225.1	   108.6
-  18455.0000	   117.6	   139.1	 -5238.5	   108.6
-  18460.0000	   134.7	   139.1	 -5221.4	   108.6
-  18465.0000	   135.2	   139.1	 -5220.9	   108.7
-  18470.0000	   146.6	   139.1	 -5209.5	   108.7
-  18475.0000	   169.5	   139.2	 -5186.6	   108.7
-  18480.0000	   139.0	   139.2	 -5217.2	   108.7
-  18485.0000	   141.6	   139.2	 -5214.6	   108.7
-  18490.0000	   118.6	   139.2	 -5237.6	   108.8
-  18495.0000	   177.9	   139.2	 -5178.3	   108.8
-  18500.0000	   138.1	   139.3	 -5218.1	   108.8
-  18505.0000	   126.8	   139.3	 -5229.5	   108.8
-  18510.0000	   151.8	   139.3	 -5204.5	   108.8
-  18515.0000	   101.8	   139.3	 -5254.5	   108.9
-  18520.0000	   136.7	   139.3	 -5219.6	   108.9
-  18525.0000	   154.5	   139.4	 -5201.8	   108.9
-  18530.0000	   144.8	   139.4	 -5211.5	   108.9
-  18535.0000	   135.2	   139.4	 -5221.2	   108.9
-  18540.0000	   147.1	   139.4	 -5209.3	   108.9
-  18545.0000	   120.3	   139.4	 -5236.1	   109.0
-  18550.0000	   145.5	   139.4	 -5210.9	   109.0
-  18555.0000	   124.5	   139.5	 -5231.9	   109.0
-  18560.0000	   138.1	   139.5	 -5218.4	   109.0
-  18565.0000	   136.4	   139.5	 -5220.1	   109.0
-  18570.0000	   122.8	   139.5	 -5233.7	   109.1
-  18575.0000	   173.9	   139.5	 -5182.6	   109.1
-  18580.0000	   140.7	   139.6	 -5215.8	   109.1
-  18585.0000	   131.1	   139.6	 -5225.4	   109.1
-  18590.0000	   146.8	   139.6	 -5209.8	   109.1
-  18595.0000	   119.7	   139.6	 -5236.9	   109.1
-  18600.0000	   149.1	   139.6	 -5207.5	   109.2
-  18605.0000	   147.5	   139.6	 -5209.1	   109.2
-  18610.0000	   145.6	   139.7	 -5211.0	   109.2
-  18615.0000	   142.0	   139.7	 -5214.7	   109.2
-  18620.0000	   124.2	   139.7	 -5232.5	   109.2
-  18625.0000	   126.5	   139.7	 -5230.2	   109.3
-  18630.0000	   130.8	   139.7	 -5225.9	   109.3
-  18635.0000	   140.7	   139.7	 -5216.0	   109.3
-  18640.0000	   144.6	   139.8	 -5212.1	   109.3
-  18645.0000	   137.0	   139.8	 -5219.8	   109.3
-  18650.0000	   147.3	   139.8	 -5209.5	   109.3
-  18655.0000	   161.2	   139.8	 -5195.6	   109.4
-  18660.0000	   137.7	   139.8	 -5219.1	   109.4
-  18665.0000	   129.7	   139.9	 -5227.1	   109.4
-  18670.0000	   146.0	   139.9	 -5210.8	   109.4
-  18675.0000	   134.0	   139.9	 -5222.9	   109.4
-  18680.0000	   154.3	   139.9	 -5202.6	   109.4
-  18685.0000	   136.6	   139.9	 -5220.3	   109.5
-  18690.0000	   138.6	   139.9	 -5218.3	   109.5
-  18695.0000	   128.6	   140.0	 -5228.3	   109.5
-  18700.0000	   128.9	   140.0	 -5228.0	   109.5
-  18705.0000	   151.4	   140.0	 -5205.6	   109.5
-  18710.0000	   157.5	   140.0	 -5199.5	   109.5
-  18715.0000	   151.4	   140.0	 -5205.6	   109.6
-  18720.0000	   147.7	   140.0	 -5209.3	   109.6
-  18725.0000	   138.0	   140.1	 -5219.0	   109.6
-  18730.0000	   146.1	   140.1	 -5211.0	   109.6
-  18735.0000	   164.4	   140.1	 -5192.7	   109.6
-  18740.0000	   126.4	   140.1	 -5230.7	   109.6
-  18745.0000	   106.0	   140.1	 -5251.1	   109.7
-  18750.0000	   116.2	   140.1	 -5240.9	   109.7
-  18755.0000	   116.2	   140.2	 -5240.9	   109.7
-  18760.0000	   157.6	   140.2	 -5199.6	   109.7
-  18765.0000	   153.5	   140.2	 -5203.7	   109.7
-  18770.0000	   120.8	   140.2	 -5236.4	   109.7
-  18775.0000	   165.8	   140.2	 -5191.4	   109.8
-  18780.0000	   170.6	   140.2	 -5186.6	   109.8
-  18785.0000	   148.0	   140.3	 -5209.2	   109.8
-  18790.0000	   139.8	   140.3	 -5217.5	   109.8
-  18795.0000	   178.8	   140.3	 -5178.5	   109.8
-  18800.0000	   134.2	   140.3	 -5223.1	   109.8
-  18805.0000	   138.4	   140.3	 -5218.9	   109.9
-  18810.0000	   163.2	   140.3	 -5194.1	   109.9
-  18815.0000	   161.4	   140.4	 -5195.9	   109.9
-  18820.0000	   114.2	   140.4	 -5243.1	   109.9
-  18825.0000	   143.2	   140.4	 -5214.2	   109.9
-  18830.0000	   197.2	   140.4	 -5160.2	   109.9
-  18835.0000	   118.6	   140.4	 -5238.8	   110.0
-  18840.0000	   168.9	   140.4	 -5188.5	   110.0
-  18845.0000	   135.6	   140.5	 -5221.8	   110.0
-  18850.0000	   148.1	   140.5	 -5209.3	   110.0
-  18855.0000	   150.5	   140.5	 -5207.0	   110.0
-  18860.0000	   119.5	   140.5	 -5238.0	   110.0
-  18865.0000	   150.9	   140.5	 -5206.6	   110.1
-  18870.0000	   142.9	   140.5	 -5214.6	   110.1
-  18875.0000	   113.5	   140.5	 -5244.0	   110.1
-  18880.0000	   153.7	   140.6	 -5203.8	   110.1
-  18885.0000	   130.6	   140.6	 -5227.0	   110.1
-  18890.0000	   145.6	   140.6	 -5212.0	   110.1
-  18895.0000	   156.6	   140.6	 -5201.0	   110.2
-  18900.0000	   127.0	   140.6	 -5230.6	   110.2
-  18905.0000	   118.5	   140.6	 -5239.1	   110.2
-  18910.0000	   112.4	   140.7	 -5245.2	   110.2
-  18915.0000	   108.4	   140.7	 -5249.2	   110.2
-  18920.0000	   174.3	   140.7	 -5183.4	   110.2
-  18925.0000	   132.1	   140.7	 -5225.6	   110.2
-  18930.0000	   155.5	   140.7	 -5202.2	   110.3
-  18935.0000	   151.7	   140.7	 -5206.0	   110.3
-  18940.0000	   123.9	   140.8	 -5233.8	   110.3
-  18945.0000	   160.6	   140.8	 -5197.1	   110.3
-  18950.0000	   145.6	   140.8	 -5212.2	   110.3
-  18955.0000	   150.3	   140.8	 -5207.5	   110.3
-  18960.0000	   146.0	   140.8	 -5211.8	   110.3
-  18965.0000	   167.8	   140.8	 -5190.0	   110.4
-  18970.0000	   124.8	   140.8	 -5233.0	   110.4
-  18975.0000	   120.8	   140.9	 -5237.0	   110.4
-  18980.0000	   125.1	   140.9	 -5232.7	   110.4
-  18985.0000	   108.1	   140.9	 -5249.8	   110.4
-  18990.0000	   160.0	   140.9	 -5197.9	   110.4
-  18995.0000	   149.5	   140.9	 -5208.4	   110.5
-  19000.0000	   119.4	   140.9	 -5238.5	   110.5
-  19005.0000	   130.3	   140.9	 -5227.6	   110.5
-  19010.0000	   108.6	   141.0	 -5249.3	   110.5
-  19015.0000	   126.3	   141.0	 -5231.7	   110.5
-  19020.0000	   178.9	   141.0	 -5179.1	   110.5
-  19025.0000	   130.9	   141.0	 -5227.1	   110.5
-  19030.0000	   133.1	   141.0	 -5224.9	   110.6
-  19035.0000	   153.0	   141.0	 -5205.0	   110.6
-  19040.0000	   120.6	   141.0	 -5237.4	   110.6
-  19045.0000	   127.1	   141.1	 -5230.9	   110.6
-  19050.0000	   188.5	   141.1	 -5169.6	   110.6
-  19055.0000	   118.9	   141.1	 -5239.2	   110.6
-  19060.0000	   169.5	   141.1	 -5188.6	   110.6
-  19065.0000	   158.5	   141.1	 -5199.6	   110.7
-  19070.0000	   145.3	   141.1	 -5212.8	   110.7
-  19075.0000	   137.2	   141.1	 -5220.9	   110.7
-  19080.0000	   154.9	   141.2	 -5203.2	   110.7
-  19085.0000	   152.6	   141.2	 -5205.6	   110.7
-  19090.0000	   154.9	   141.2	 -5203.3	   110.7
-  19095.0000	   148.9	   141.2	 -5209.3	   110.7
-  19100.0000	   128.9	   141.2	 -5229.3	   110.8
-  19105.0000	   168.9	   141.2	 -5189.3	   110.8
-  19110.0000	   113.6	   141.2	 -5244.6	   110.8
-  19115.0000	   140.7	   141.3	 -5217.5	   110.8
-  19120.0000	   151.9	   141.3	 -5206.3	   110.8
-  19125.0000	   118.4	   141.3	 -5239.9	   110.8
-  19130.0000	   157.1	   141.3	 -5201.2	   110.8
-  19135.0000	   143.6	   141.3	 -5214.7	   110.9
-  19140.0000	   154.8	   141.3	 -5203.5	   110.9
-  19145.0000	   139.1	   141.3	 -5219.2	   110.9
-  19150.0000	   157.9	   141.4	 -5200.4	   110.9
-  19155.0000	   146.6	   141.4	 -5211.7	   110.9
-  19160.0000	   119.5	   141.4	 -5238.9	   110.9
-  19165.0000	   146.6	   141.4	 -5211.8	   110.9
-  19170.0000	   154.0	   141.4	 -5204.4	   110.9
-  19175.0000	   135.9	   141.4	 -5222.5	   111.0
-  19180.0000	   163.1	   141.4	 -5195.3	   111.0
-  19185.0000	   140.7	   141.4	 -5217.7	   111.0
-  19190.0000	   118.3	   141.5	 -5240.1	   111.0
-  19195.0000	   125.2	   141.5	 -5233.2	   111.0
-  19200.0000	   132.0	   141.5	 -5226.5	   111.0
-  19205.0000	   164.3	   141.5	 -5194.2	   111.0
-  19210.0000	   150.9	   141.5	 -5207.6	   111.0
-  19215.0000	   130.3	   141.5	 -5228.2	   111.1
-  19220.0000	   130.3	   141.5	 -5228.2	   111.1
-  19225.0000	   112.3	   141.5	 -5246.2	   111.1
-  19230.0000	   167.7	   141.6	 -5190.8	   111.1
-  19235.0000	   108.0	   141.6	 -5250.6	   111.1
-  19240.0000	   177.3	   141.6	 -5181.3	   111.1
-  19245.0000	   168.1	   141.6	 -5190.5	   111.1
-  19250.0000	   129.3	   141.6	 -5229.3	   111.2
-  19255.0000	   122.3	   141.6	 -5236.3	   111.2
-  19260.0000	   120.3	   141.6	 -5238.3	   111.2
-  19265.0000	   118.0	   141.6	 -5240.6	   111.2
-  19270.0000	   134.5	   141.7	 -5224.1	   111.2
-  19275.0000	   169.3	   141.7	 -5189.4	   111.2
-  19280.0000	   106.9	   141.7	 -5251.8	   111.2
-  19285.0000	   162.7	   141.7	 -5196.0	   111.2
-  19290.0000	   109.5	   141.7	 -5249.2	   111.2
-  19295.0000	   139.8	   141.7	 -5218.9	   111.3
-  19300.0000	   133.1	   141.7	 -5225.6	   111.3
-  19305.0000	   130.7	   141.7	 -5228.0	   111.3
-  19310.0000	   152.2	   141.8	 -5206.5	   111.3
-  19315.0000	   173.6	   141.8	 -5185.1	   111.3
-  19320.0000	   159.5	   141.8	 -5199.3	   111.3
-  19325.0000	   131.3	   141.8	 -5227.5	   111.3
-  19330.0000	   136.3	   141.8	 -5222.5	   111.3
-  19335.0000	    98.9	   141.8	 -5259.9	   111.4
-  19340.0000	   162.5	   141.8	 -5196.3	   111.4
-  19345.0000	   146.3	   141.8	 -5212.5	   111.4
-  19350.0000	   158.1	   141.9	 -5200.7	   111.4
-  19355.0000	   158.5	   141.9	 -5200.3	   111.4
-  19360.0000	   127.8	   141.9	 -5231.1	   111.4
-  19365.0000	   125.7	   141.9	 -5233.2	   111.4
-  19370.0000	   140.3	   141.9	 -5218.6	   111.4
-  19375.0000	   180.7	   141.9	 -5178.2	   111.5
-  19380.0000	   145.0	   141.9	 -5213.9	   111.5
-  19385.0000	   131.0	   141.9	 -5227.9	   111.5
-  19390.0000	   157.6	   141.9	 -5201.3	   111.5
-  19395.0000	   136.1	   142.0	 -5222.8	   111.5
-  19400.0000	   131.3	   142.0	 -5227.6	   111.5
-  19405.0000	   138.8	   142.0	 -5220.2	   111.5
-  19410.0000	   131.9	   142.0	 -5227.1	   111.5
-  19415.0000	   131.9	   142.0	 -5227.1	   111.5
-  19420.0000	   124.7	   142.0	 -5234.3	   111.6
-  19425.0000	   166.2	   142.0	 -5192.8	   111.6
-  19430.0000	   156.6	   142.0	 -5202.4	   111.6
-  19435.0000	   108.4	   142.0	 -5250.6	   111.6
-  19440.0000	   137.3	   142.1	 -5221.7	   111.6
-  19445.0000	   162.2	   142.1	 -5196.8	   111.6
-  19450.0000	   147.6	   142.1	 -5211.5	   111.6
-  19455.0000	   125.9	   142.1	 -5233.2	   111.6
-  19460.0000	   130.7	   142.1	 -5228.4	   111.6
-  19465.0000	   136.2	   142.1	 -5222.9	   111.6
-  19470.0000	   158.1	   142.1	 -5201.0	   111.7
-  19475.0000	   165.4	   142.1	 -5193.7	   111.7
-  19480.0000	   121.6	   142.1	 -5237.5	   111.7
-  19485.0000	   144.3	   142.2	 -5214.8	   111.7
-  19490.0000	   151.7	   142.2	 -5207.4	   111.7
-  19495.0000	   149.2	   142.2	 -5209.9	   111.7
-  19500.0000	   110.3	   142.2	 -5248.9	   111.7
-  19505.0000	   122.9	   142.2	 -5236.3	   111.7
-  19510.0000	   157.4	   142.2	 -5201.8	   111.7
-  19515.0000	   130.3	   142.2	 -5228.9	   111.8
-  19520.0000	   147.9	   142.2	 -5211.3	   111.8
-  19525.0000	   138.3	   142.2	 -5220.9	   111.8
-  19530.0000	    98.8	   142.2	 -5260.4	   111.8
-  19535.0000	   165.5	   142.3	 -5193.7	   111.8
-  19540.0000	   146.1	   142.3	 -5213.1	   111.8
-  19545.0000	   149.0	   142.3	 -5210.3	   111.8
-  19550.0000	   158.9	   142.3	 -5200.4	   111.8
-  19555.0000	   154.3	   142.3	 -5205.0	   111.8
-  19560.0000	   104.8	   142.3	 -5254.5	   111.8
-  19565.0000	   137.2	   142.3	 -5222.1	   111.9
-  19570.0000	   122.2	   142.3	 -5237.1	   111.9
-  19575.0000	   135.0	   142.3	 -5224.3	   111.9
-  19580.0000	   145.3	   142.3	 -5214.0	   111.9
-  19585.0000	   152.9	   142.4	 -5206.4	   111.9
-  19590.0000	   130.3	   142.4	 -5229.0	   111.9
-  19595.0000	   125.5	   142.4	 -5233.8	   111.9
-  19600.0000	   151.0	   142.4	 -5208.4	   111.9
-  19605.0000	   156.0	   142.4	 -5203.4	   111.9
-  19610.0000	   121.1	   142.4	 -5238.3	   111.9
-  19615.0000	   138.7	   142.4	 -5220.7	   111.9
-  19620.0000	   161.8	   142.4	 -5197.6	   112.0
-  19625.0000	   156.7	   142.4	 -5202.7	   112.0
-  19630.0000	   144.3	   142.4	 -5215.1	   112.0
-  19635.0000	   124.0	   142.4	 -5235.4	   112.0
-  19640.0000	   142.1	   142.5	 -5217.3	   112.0
-  19645.0000	   134.5	   142.5	 -5224.9	   112.0
-  19650.0000	   155.1	   142.5	 -5204.3	   112.0
-  19655.0000	   132.2	   142.5	 -5227.3	   112.0
-  19660.0000	   109.6	   142.5	 -5249.9	   112.0
-  19665.0000	   163.1	   142.5	 -5196.4	   112.0
-  19670.0000	   122.5	   142.5	 -5237.0	   112.0
-  19675.0000	   104.7	   142.5	 -5254.8	   112.1
-  19680.0000	   166.3	   142.5	 -5193.2	   112.1
-  19685.0000	   107.7	   142.5	 -5251.8	   112.1
-  19690.0000	   120.5	   142.5	 -5239.0	   112.1
-  19695.0000	   130.8	   142.6	 -5228.7	   112.1
-  19700.0000	   141.4	   142.6	 -5218.1	   112.1
-  19705.0000	   128.8	   142.6	 -5230.7	   112.1
-  19710.0000	   131.3	   142.6	 -5228.3	   112.1
-  19715.0000	   131.3	   142.6	 -5228.3	   112.1
-  19720.0000	   160.1	   142.6	 -5199.5	   112.1
-  19725.0000	   126.8	   142.6	 -5232.8	   112.1
-  19730.0000	   142.3	   142.6	 -5217.3	   112.1
-  19735.0000	   160.4	   142.6	 -5199.2	   112.2
-  19740.0000	   137.8	   142.6	 -5221.8	   112.2
-  19745.0000	   132.6	   142.6	 -5227.0	   112.2
-  19750.0000	   140.4	   142.6	 -5219.2	   112.2
-  19755.0000	   130.0	   142.7	 -5229.6	   112.2
-  19760.0000	   156.7	   142.7	 -5202.9	   112.2
-  19765.0000	   141.0	   142.7	 -5218.6	   112.2
-  19770.0000	   120.1	   142.7	 -5239.6	   112.2
-  19775.0000	   104.5	   142.7	 -5255.2	   112.2
-  19780.0000	   157.4	   142.7	 -5202.3	   112.2
-  19785.0000	   181.0	   142.7	 -5178.7	   112.2
-  19790.0000	   120.7	   142.7	 -5239.0	   112.2
-  19795.0000	   126.5	   142.7	 -5233.2	   112.3
-  19800.0000	   176.5	   142.7	 -5183.2	   112.3
-  19805.0000	   139.6	   142.7	 -5220.1	   112.3
-  19810.0000	   163.4	   142.7	 -5196.3	   112.3
-  19815.0000	   150.8	   142.7	 -5208.9	   112.3
-  19820.0000	   148.2	   142.8	 -5211.5	   112.3
-  19825.0000	   121.7	   142.8	 -5238.0	   112.3
-  19830.0000	   121.7	   142.8	 -5238.0	   112.3
-  19835.0000	   127.6	   142.8	 -5232.1	   112.3
-  19840.0000	   114.3	   142.8	 -5245.5	   112.3
-  19845.0000	   151.5	   142.8	 -5208.3	   112.3
-  19850.0000	   146.2	   142.8	 -5213.6	   112.3
-  19855.0000	   146.8	   142.8	 -5213.0	   112.3
-  19860.0000	   146.8	   142.8	 -5213.0	   112.3
-  19865.0000	   120.1	   142.8	 -5239.7	   112.4
-  19870.0000	   120.3	   142.8	 -5239.5	   112.4
-  19875.0000	   152.8	   142.8	 -5207.0	   112.4
-  19880.0000	   166.2	   142.8	 -5193.6	   112.4
-  19885.0000	   136.7	   142.8	 -5223.1	   112.4
-  19890.0000	   153.2	   142.9	 -5206.6	   112.4
-  19895.0000	   129.3	   142.9	 -5230.5	   112.4
-  19900.0000	   115.9	   142.9	 -5243.9	   112.4
-  19905.0000	   115.9	   142.9	 -5243.9	   112.4
-  19910.0000	    97.3	   142.9	 -5262.6	   112.4
-  19915.0000	   119.2	   142.9	 -5240.7	   112.4
-  19920.0000	   138.1	   142.9	 -5221.8	   112.4
-  19925.0000	   105.8	   142.9	 -5254.1	   112.4
-  19930.0000	   157.4	   142.9	 -5202.5	   112.4
-  19935.0000	   168.6	   142.9	 -5191.3	   112.4
-  19940.0000	   108.8	   142.9	 -5251.1	   112.5
-  19945.0000	   100.8	   142.9	 -5259.1	   112.5
-  19950.0000	   163.5	   142.9	 -5196.4	   112.5
-  19955.0000	    95.6	   142.9	 -5264.3	   112.5
-  19960.0000	   139.3	   142.9	 -5220.6	   112.5
-  19965.0000	   134.1	   142.9	 -5225.8	   112.5
-  19970.0000	   115.0	   143.0	 -5244.9	   112.5
-  19975.0000	   126.2	   143.0	 -5233.7	   112.5
-  19980.0000	   121.0	   143.0	 -5238.9	   112.5
-  19985.0000	   167.7	   143.0	 -5192.2	   112.5
-  19990.0000	   137.5	   143.0	 -5222.5	   112.5
-  19995.0000	   135.0	   143.0	 -5225.0	   112.5
-  20000.0000	   118.8	   143.0	 -5241.2	   112.5
-  20005.0000	   138.2	   143.0	 -5221.8	   112.5
-  20010.0000	   127.4	   143.0	 -5232.6	   112.5
-  20015.0000	   124.7	   143.0	 -5235.3	   112.5
-  20020.0000	   125.0	   143.0	 -5235.0	   112.6
-  20025.0000	   166.6	   143.0	 -5193.4	   112.6
-  20030.0000	   133.6	   143.0	 -5226.4	   112.6
-  20035.0000	   125.2	   143.0	 -5234.8	   112.6
-  20040.0000	   170.1	   143.0	 -5189.9	   112.6
-  20045.0000	   119.9	   143.0	 -5240.1	   112.6
-  20050.0000	   137.0	   143.0	 -5223.0	   112.6
-  20055.0000	   117.7	   143.1	 -5242.3	   112.6
-  20060.0000	   117.7	   143.1	 -5242.3	   112.6
-  20065.0000	   137.3	   143.1	 -5222.7	   112.6
-  20070.0000	   112.3	   143.1	 -5247.7	   112.6
-  20075.0000	   152.0	   143.1	 -5208.1	   112.6
-  20080.0000	   132.3	   143.1	 -5227.8	   112.6
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-  21475.0000	   143.1	   143.4	 -5217.2	   112.9
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-  21485.0000	   128.3	   143.4	 -5232.0	   112.9
-  21490.0000	   120.5	   143.4	 -5239.8	   112.9
-  21495.0000	   186.6	   143.4	 -5173.7	   112.9
-  21500.0000	   148.3	   143.4	 -5212.0	   112.9
-  21505.0000	   191.3	   143.4	 -5169.0	   112.9
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-  21520.0000	   168.6	   143.4	 -5191.7	   112.9
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-  21960.0000	   112.9	   143.3	 -5247.4	   112.8
-  21965.0000	   178.0	   143.3	 -5182.3	   112.8
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-  21975.0000	   143.7	   143.3	 -5216.6	   112.8
-  21980.0000	   165.7	   143.3	 -5194.6	   112.8
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-  22000.0000	   144.5	   143.3	 -5215.8	   112.8
-  22005.0000	   105.1	   143.3	 -5255.2	   112.8
-  22010.0000	   149.3	   143.3	 -5211.0	   112.8
-  22015.0000	   118.5	   143.3	 -5241.8	   112.8
-  22020.0000	   136.4	   143.3	 -5223.9	   112.8
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-  22035.0000	   132.5	   143.3	 -5227.8	   112.8
-  22040.0000	   159.0	   143.3	 -5201.3	   112.8
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-  22050.0000	   132.8	   143.3	 -5227.5	   112.8
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-  22170.0000	   173.4	   143.3	 -5186.9	   112.9
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-  22225.0000	   162.1	   143.3	 -5198.2	   112.9
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-  22235.0000	   157.4	   143.3	 -5202.9	   112.9
-  22240.0000	   143.8	   143.3	 -5216.5	   112.9
-  22245.0000	    93.0	   143.3	 -5267.3	   112.9
-  22250.0000	   190.6	   143.3	 -5169.7	   112.9
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-  22295.0000	   136.3	   143.4	 -5224.0	   112.9
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-  22315.0000	   155.8	   143.4	 -5204.5	   112.9
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-  22330.0000	   108.9	   143.4	 -5251.5	   112.9
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-  22340.0000	   133.2	   143.4	 -5227.2	   112.9
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-  22365.0000	   138.5	   143.4	 -5221.9	   112.9
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-  22380.0000	   167.8	   143.4	 -5192.6	   112.9
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-  22390.0000	   139.4	   143.4	 -5221.0	   112.9
-  22395.0000	   125.0	   143.4	 -5235.4	   112.9
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-  22405.0000	   183.5	   143.4	 -5176.9	   113.0
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-  22420.0000	   164.4	   143.4	 -5196.0	   113.0
-  22425.0000	   174.4	   143.4	 -5186.0	   113.0
-  22430.0000	   159.9	   143.4	 -5200.5	   113.0
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-  22445.0000	   126.5	   143.4	 -5233.9	   113.0
-  22450.0000	   175.2	   143.4	 -5185.2	   113.0
-  22455.0000	   150.9	   143.4	 -5209.5	   113.0
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-  22500.0000	   128.1	   143.5	 -5232.4	   113.0
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-  22510.0000	   157.7	   143.5	 -5202.8	   113.0
-  22515.0000	   182.8	   143.5	 -5177.7	   113.0
-  22520.0000	   138.6	   143.5	 -5221.9	   113.0
-  22525.0000	   133.7	   143.5	 -5226.8	   113.0
-  22530.0000	   207.9	   143.5	 -5152.6	   113.0
-  22535.0000	   104.4	   143.5	 -5256.1	   113.0
-  22540.0000	   164.0	   143.5	 -5196.5	   113.1
-  22545.0000	   144.1	   143.5	 -5216.4	   113.1
-  22550.0000	   104.4	   143.5	 -5256.1	   113.1
-  22555.0000	   124.8	   143.5	 -5235.7	   113.1
-  22560.0000	   199.7	   143.5	 -5160.8	   113.1
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-  22570.0000	   154.8	   143.5	 -5205.7	   113.1
-  22575.0000	   120.3	   143.5	 -5240.2	   113.1
-  22580.0000	   165.4	   143.5	 -5195.1	   113.1
-  22585.0000	   100.2	   143.6	 -5260.3	   113.1
-  22590.0000	   115.5	   143.6	 -5245.0	   113.1
-  22595.0000	   125.8	   143.6	 -5234.7	   113.1
-  22600.0000	   135.9	   143.6	 -5224.6	   113.1
-  22605.0000	   161.0	   143.6	 -5199.5	   113.1
-  22610.0000	   141.2	   143.6	 -5219.4	   113.1
-  22615.0000	   217.4	   143.6	 -5143.2	   113.1
-  22620.0000	   161.8	   143.6	 -5198.8	   113.1
-  22625.0000	   141.6	   143.6	 -5219.0	   113.1
-  22630.0000	   192.5	   143.6	 -5168.1	   113.1
-  22635.0000	   132.0	   143.6	 -5228.6	   113.1
-  22640.0000	   152.3	   143.6	 -5208.3	   113.1
-  22645.0000	   142.4	   143.6	 -5218.2	   113.1
-  22650.0000	   218.7	   143.6	 -5141.9	   113.2
-  22655.0000	   163.1	   143.6	 -5197.5	   113.2
-  22660.0000	   122.3	   143.6	 -5238.3	   113.2
-  22665.0000	   122.5	   143.6	 -5238.1	   113.2
-  22670.0000	   153.1	   143.6	 -5207.5	   113.2
-  22675.0000	   158.5	   143.6	 -5202.1	   113.2
-  22680.0000	   117.6	   143.6	 -5243.0	   113.2
-  22685.0000	   153.7	   143.7	 -5206.9	   113.2
-  22690.0000	   189.5	   143.7	 -5171.1	   113.2
-  22695.0000	   164.3	   143.7	 -5196.3	   113.2
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-  22705.0000	   102.9	   143.7	 -5257.8	   113.2
-  22710.0000	   144.0	   143.7	 -5216.7	   113.2
-  22715.0000	   139.3	   143.7	 -5221.4	   113.2
-  22720.0000	   144.8	   143.7	 -5215.9	   113.2
-  22725.0000	   144.8	   143.7	 -5215.9	   113.2
-  22730.0000	   114.0	   143.7	 -5246.7	   113.2
-  22735.0000	   150.3	   143.7	 -5210.4	   113.3
-  22740.0000	   207.7	   143.7	 -5153.0	   113.3
-  22745.0000	   109.0	   143.7	 -5251.7	   113.3
-  22750.0000	   156.2	   143.7	 -5204.5	   113.3
-  22755.0000	   197.8	   143.7	 -5162.9	   113.3
-  22760.0000	   125.2	   143.7	 -5235.5	   113.3
-  22765.0000	   125.2	   143.8	 -5235.5	   113.3
-  22770.0000	   177.7	   143.8	 -5183.0	   113.3
-  22775.0000	   136.2	   143.8	 -5224.5	   113.3
-  22780.0000	   162.4	   143.8	 -5198.3	   113.3
-  22785.0000	   125.7	   143.8	 -5235.1	   113.3
-  22790.0000	   178.6	   143.8	 -5182.2	   113.3
-  22795.0000	   147.3	   143.8	 -5213.5	   113.3
-  22800.0000	   100.0	   143.8	 -5260.8	   113.3
-  22805.0000	   142.0	   143.8	 -5218.8	   113.3
-  22810.0000	   137.2	   143.8	 -5223.6	   113.4
-  22815.0000	   142.7	   143.8	 -5218.1	   113.4
-  22820.0000	   163.9	   143.8	 -5196.9	   113.4
-  22825.0000	   179.8	   143.8	 -5181.0	   113.4
-  22830.0000	   127.4	   143.8	 -5233.4	   113.4
-  22835.0000	   201.7	   143.9	 -5159.1	   113.4
-  22840.0000	   143.3	   143.9	 -5217.5	   113.4
-  22845.0000	   159.3	   143.9	 -5201.5	   113.4
-  22850.0000	   112.0	   143.9	 -5248.9	   113.4
-  22855.0000	   181.3	   143.9	 -5179.6	   113.4
-  22860.0000	   128.0	   143.9	 -5232.9	   113.4
-  22865.0000	   181.3	   143.9	 -5179.6	   113.4
-  22870.0000	   208.8	   143.9	 -5152.1	   113.4
-  22875.0000	   192.7	   143.9	 -5168.2	   113.5
-  22880.0000	   117.8	   143.9	 -5243.1	   113.5
-  22885.0000	   160.6	   143.9	 -5200.3	   113.5
-  22890.0000	   188.1	   143.9	 -5172.8	   113.5
-  22895.0000	   166.6	   143.9	 -5194.3	   113.5
-  22900.0000	   177.3	   144.0	 -5183.6	   113.5
-  22905.0000	   204.7	   144.0	 -5156.2	   113.5
-  22910.0000	   210.3	   144.0	 -5150.6	   113.5
-  22915.0000	   210.3	   144.0	 -5150.7	   113.5
-  22920.0000	   172.6	   144.0	 -5188.4	   113.5
-  22925.0000	   156.7	   144.0	 -5204.3	   113.5
-  22930.0000	   195.1	   144.0	 -5165.9	   113.5
-  22935.0000	   146.3	   144.0	 -5214.7	   113.6
-  22940.0000	   157.1	   144.0	 -5203.9	   113.6
-  22945.0000	   130.2	   144.0	 -5230.8	   113.6
-  22950.0000	   157.7	   144.0	 -5203.3	   113.6
-  22955.0000	   152.3	   144.0	 -5208.7	   113.6
-  22960.0000	   147.2	   144.1	 -5213.8	   113.6
-  22965.0000	   147.5	   144.1	 -5213.5	   113.6
-  22970.0000	   125.6	   144.1	 -5235.5	   113.6
-  22975.0000	   158.4	   144.1	 -5202.7	   113.6
-  22980.0000	   191.6	   144.1	 -5169.5	   113.6
-  22985.0000	   175.6	   144.1	 -5185.5	   113.6
-  22990.0000	   197.6	   144.1	 -5163.5	   113.7
-  22995.0000	   137.2	   156.9	 -5236.7	   113.7
-  23000.0000	   187.0	   157.2	 -5187.2	   113.7
-  23005.0000	   154.3	   157.5	 -5220.2	   113.7
-  23010.0000	   165.3	   157.8	 -5209.5	   113.7
-  23015.0000	   127.0	   158.2	 -5248.1	   113.7
-  23020.0000	   165.6	   158.5	 -5209.9	   113.7
-  23025.0000	   127.3	   158.9	 -5248.5	   113.7
-  23030.0000	   182.7	   159.2	 -5193.5	   113.7
-  23035.0000	   188.6	   159.6	 -5188.0	   113.7
-  23040.0000	   133.1	   160.0	 -5243.9	   113.7
-  23045.0000	   172.3	   160.4	 -5205.1	   113.8
-  23050.0000	   188.9	   160.9	 -5188.9	   113.8
-  23055.0000	   228.3	   161.3	 -5150.0	   113.8
-  23060.0000	   161.5	   161.8	 -5217.3	   113.8
-  23065.0000	   195.3	   162.3	 -5183.9	   113.8
-  23070.0000	   156.2	   162.8	 -5223.5	   113.8
-  23075.0000	   139.8	   163.3	 -5240.5	   113.8
-  23080.0000	   123.0	   163.8	 -5257.8	   113.8
-  23085.0000	   173.7	   164.4	 -5207.7	   113.8
-  23090.0000	   140.4	   165.0	 -5241.6	   113.9
-  23095.0000	   213.4	   165.6	 -5169.2	   113.9
-  23100.0000	   230.3	   166.3	 -5152.9	   113.9
-  23105.0000	   191.4	   166.9	 -5192.5	   113.9
-  23110.0000	   203.3	   167.6	 -5181.3	   113.9
-  23115.0000	   276.7	   168.4	 -5108.7	   113.9
-  23120.0000	   197.6	   169.2	 -5188.5	   113.9
-  23125.0000	   181.0	   170.0	 -5205.9	   113.9
-  23130.0000	   136.0	   170.8	 -5251.8	   113.9
-  23135.0000	   164.3	   171.7	 -5224.4	   114.0
-  23140.0000	   209.6	   172.7	 -5180.0	   114.0
-  23145.0000	   176.7	   173.6	 -5213.9	   114.0
-  23150.0000	   176.7	   174.7	 -5215.0	   114.0
-  23155.0000	   176.7	   175.8	 -5216.0	   114.0
-  23160.0000	   159.6	   176.9	 -5234.3	   114.0
-  23165.0000	   148.6	   178.1	 -5246.5	   114.0
-  23170.0000	   222.9	   179.4	 -5173.5	   114.0
-  23175.0000	   257.2	   180.8	 -5140.6	   114.0
-  23180.0000	   240.6	   182.2	 -5158.6	   114.1
-  23185.0000	   235.4	   183.7	 -5165.3	   114.1
-  23190.0000	   160.8	   185.4	 -5241.5	   114.1
-  23195.0000	   189.5	   187.1	 -5214.5	   114.1
-  23200.0000	   190.3	   188.9	 -5215.6	   114.1
-  23205.0000	   224.9	   190.8	 -5182.9	   114.1
-  23210.0000	   236.5	   192.9	 -5173.4	   114.1
-  23215.0000	   230.7	   195.1	 -5181.4	   114.1
-  23220.0000	   243.4	   197.5	 -5171.1	   114.2
-  23225.0000	   202.8	   200.0	 -5214.2	   114.2
-  23230.0000	   243.4	   202.8	 -5176.3	   114.2
-  23235.0000	   191.2	   205.7	 -5231.5	   114.2
-  23240.0000	   203.6	   208.9	 -5222.2	   114.2
-  23245.0000	   197.8	   212.3	 -5231.4	   114.2
-  23250.0000	   273.4	   215.9	 -5159.5	   114.2
-  23255.0000	   244.3	   219.9	 -5192.6	   114.3
-  23260.0000	   239.4	   224.3	 -5201.9	   114.3
-  23265.0000	   233.5	   229.0	 -5212.5	   114.3
-  23270.0000	   274.4	   234.2	 -5176.7	   114.3
-  23275.0000	   245.7	   239.8	 -5211.1	   114.3
-  23280.0000	   322.7	   246.0	 -5140.3	   114.3
-  23285.0000	   281.7	   252.8	 -5188.1	   114.3
-  23290.0000	   217.1	   260.4	 -5260.2	   114.3
-  23295.0000	   288.1	   268.7	 -5197.6	   114.4
-  23300.0000	   265.2	   278.0	 -5229.8	   114.4
-  23305.0000	   253.4	   288.4	 -5252.0	   114.4
-  23310.0000	   229.8	   300.0	 -5287.2	   114.4
-  23315.0000	   295.3	   313.2	 -5234.9	   114.4
-  23320.0000	   337.7	   328.2	 -5207.4	   114.4
-  23325.0000	   385.1	   345.3	 -5177.2	   114.4
-  23330.0000	   433.5	   365.4	 -5148.9	   114.5
-  23335.0000	   475.1	   389.4	 -5131.3	   114.5
-  23340.0000	   428.7	   419.2	 -5207.5	   114.5
-  23345.0000	   506.1	   458.0	 -5168.9	   114.5
-  23350.0000	   518.6	   511.7	 -5210.1	   114.5
-  23355.0000	   554.3	   590.7	 -5253.4	   114.5
-  23360.0000	   693.2	   712.4	 -5236.2	   114.5
-  23365.0000	  1099.5	   904.2	 -5021.7	   114.6
-  23370.0000	  1298.2	  1207.1	 -5125.9	   114.6
-  23375.0000	  1914.4	  1676.9	 -4979.4	   114.6
-  23380.0000	  2626.8	  2382.0	 -4972.2	   114.6
-  23385.0000	  3597.7	  3396.7	 -5016.0	   114.6
-  23390.0000	  5123.2	  4785.9	 -4879.7	   114.6
-  23395.0000	  6780.9	  6585.1	 -5021.2	   114.7
-  23400.0000	  9222.1	  8777.3	 -4772.1	   114.7
-  23405.0000	 11511.4	 11273.7	 -4979.3	   114.7
-  23410.0000	 14362.2	 13905.5	 -4760.3	   114.7
-  23415.0000	 16558.9	 16434.5	 -5092.6	   114.7
-  23420.0000	 18043.4	 18588.0	 -5761.6	   114.7
-  23425.0000	 19443.9	 20118.8	 -5891.9	   114.7
-  23430.0000	 19903.3	 20867.9	 -6181.6	   114.8
-  23435.0000	 20651.0	 20798.7	 -5364.6	   114.8
-  23440.0000	 19561.2	 19989.8	 -5645.5	   114.8
-  23445.0000	 18244.9	 18600.2	 -5572.3	   114.8
-  23450.0000	 16462.2	 16826.4	 -5581.1	   114.8
-  23455.0000	 14997.5	 14863.3	 -5082.8	   114.8
-  23460.0000	 12862.1	 12876.9	 -5231.8	   114.9
-  23465.0000	 10932.5	 10989.0	 -5273.5	   114.9
-  23470.0000	  9398.5	  9275.1	 -5093.6	   114.9
-  23475.0000	  8149.1	  7770.8	 -4838.7	   114.9
-  23480.0000	  6405.8	  6482.1	 -5293.3	   114.9
-  23485.0000	  5605.8	  5396.6	 -5007.8	   114.9
-  23490.0000	  4567.7	  4492.4	 -5141.7	   115.0
-  23495.0000	  3745.2	  3744.2	 -5216.0	   115.0
-  23500.0000	  3230.5	  3127.6	 -5114.1	   115.0
-  23505.0000	  2678.8	  2620.3	 -5158.5	   115.0
-  23510.0000	  2090.3	  2203.2	 -5329.9	   115.0
-  23515.0000	  1894.3	  1860.3	 -5182.9	   115.0
-  23520.0000	  1390.0	  1578.1	 -5405.1	   115.1
-  23525.0000	  1316.2	  1345.8	 -5246.6	   115.1
-  23530.0000	  1174.7	  1154.3	 -5196.6	   115.1
-  23535.0000	   939.1	   996.3	 -5274.2	   115.1
-  23540.0000	   753.8	   865.8	 -5329.0	   115.1
-  23545.0000	   642.6	   757.7	 -5332.1	   115.2
-  23550.0000	   685.8	   668.2	 -5199.3	   115.2
-  23555.0000	   477.2	   593.8	 -5333.5	   115.2
-  23560.0000	   421.4	   531.9	 -5327.4	   115.2
-  23565.0000	   557.8	   480.2	 -5139.4	   115.2
-  23570.0000	   521.0	   437.0	 -5133.0	   115.2
-  23575.0000	   379.3	   400.8	 -5238.4	   115.3
-  23580.0000	   422.9	   370.3	 -5164.4	   115.3
-  23585.0000	   447.7	   344.6	 -5113.8	   115.3
-  23590.0000	   348.7	   322.8	 -5191.1	   115.3
-  23595.0000	   355.6	   304.3	 -5165.6	   115.3
-  23600.0000	   418.0	   288.5	 -5087.5	   115.4
-  23605.0000	   343.1	   274.9	 -5148.8	   115.4
-  23610.0000	   343.9	   263.3	 -5136.4	   115.4
-  23615.0000	   263.0	   253.2	 -5207.2	   115.4
-  23620.0000	   256.7	   244.5	 -5204.8	   115.4
-  23625.0000	   275.5	   236.9	 -5178.4	   115.5
-  23630.0000	   333.1	   230.2	 -5114.1	   115.5
-  23635.0000	   282.8	   224.3	 -5158.5	   115.5
-  23640.0000	   364.5	   219.1	 -5071.6	   115.5
-  23645.0000	   283.4	   214.5	 -5148.0	   115.5
-  23650.0000	   309.1	   210.3	 -5118.2	   115.5
-  23655.0000	   365.9	   206.6	 -5057.7	   115.6
-  23660.0000	   252.3	   203.3	 -5167.9	   115.6
-  23665.0000	   309.9	   200.2	 -5107.3	   115.6
-  23670.0000	   272.6	   197.5	 -5141.8	   115.6
-  23675.0000	   342.4	   194.9	 -5069.5	   115.6
-  23680.0000	   323.4	   192.6	 -5086.2	   115.7
-  23685.0000	   298.6	   190.5	 -5108.9	   115.7
-  23690.0000	   324.4	   188.6	 -5081.1	   115.7
-  23695.0000	   222.7	   186.7	 -5181.0	   115.7
-  23700.0000	   216.8	   185.1	 -5185.2	   115.8
-  23705.0000	   229.6	   183.5	 -5170.9	   115.8
-  23710.0000	   287.5	   182.0	 -5111.5	   115.8
-  23715.0000	   223.6	   180.7	 -5174.0	   115.8
-  23720.0000	   262.4	   179.4	 -5134.0	   115.8
-  23725.0000	   300.7	   178.2	 -5094.5	   115.9
-  23730.0000	   327.1	   177.1	 -5066.9	   115.9
-  23735.0000	   263.0	   176.0	 -5130.0	   115.9
-  23740.0000	   289.4	   175.0	 -5102.6	   115.9
-  23745.0000	   283.0	   174.1	 -5108.0	   115.9
-  23750.0000	   245.0	   173.2	 -5145.1	   116.0
-  23755.0000	   219.2	   172.3	 -5170.1	   116.0
-  23760.0000	   297.2	   171.5	 -5091.3	   116.0
-  23765.0000	   213.2	   170.7	 -5174.5	   116.0
-  23770.0000	   233.0	   170.0	 -5154.0	   116.0
-  23775.0000	   207.4	   169.3	 -5178.9	   116.1
-  23780.0000	   213.8	   168.7	 -5171.8	   116.1
-  23785.0000	   233.3	   168.0	 -5151.7	   116.1
-  23790.0000	   305.3	   167.4	 -5079.1	   116.1
-  23795.0000	   214.6	   166.9	 -5169.2	   116.2
-  23800.0000	   201.6	   166.3	 -5181.7	   116.2
-  23805.0000	   227.6	   165.8	 -5155.2	   116.2
-  23810.0000	   228.2	   165.3	 -5154.1	   116.2
-  23815.0000	   235.3	   164.8	 -5146.5	   116.2
-  23820.0000	   183.0	   164.4	 -5198.3	   116.3
-  23825.0000	   130.7	   163.9	 -5250.2	   116.3
-  23830.0000	   229.6	   163.5	 -5150.9	   116.3
-  23835.0000	   262.4	   163.1	 -5117.7	   116.3
-  23840.0000	   157.5	   162.7	 -5222.2	   116.4
-  23845.0000	   223.1	   162.3	 -5156.2	   116.4
-  23850.0000	   164.7	   162.0	 -5214.3	   116.4
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-  23860.0000	   197.6	   146.9	 -5166.3	   116.5
-  23865.0000	   270.4	   146.9	 -5093.5	   116.5
-  23870.0000	   132.2	   147.0	 -5231.7	   116.5
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-  23880.0000	   237.9	   147.0	 -5126.1	   116.6
-  23885.0000	   265.5	   147.0	 -5098.5	   116.6
-  23890.0000	   225.7	   147.1	 -5138.3	   116.6
-  23895.0000	   212.4	   147.1	 -5151.7	   116.6
-  23900.0000	   199.1	   147.1	 -5165.0	   116.6
-  23905.0000	   286.6	   147.1	 -5077.5	   116.7
-  23910.0000	   153.3	   147.2	 -5210.8	   116.7
-  23915.0000	   193.3	   147.2	 -5170.9	   116.7
-  23920.0000	   133.3	   147.2	 -5230.9	   116.7
-  23925.0000	   241.0	   147.2	 -5123.2	   116.8
-  23930.0000	   227.6	   147.3	 -5136.6	   116.8
-  23935.0000	   140.6	   147.3	 -5223.7	   116.8
-  23940.0000	   227.6	   147.3	 -5136.7	   116.8
-  23945.0000	   181.6	   147.3	 -5182.7	   116.9
-  23950.0000	   195.0	   147.4	 -5169.3	   116.9
-  23955.0000	   221.9	   147.4	 -5142.5	   116.9
-  23960.0000	   175.2	   147.4	 -5189.2	   116.9
-  23965.0000	   141.8	   147.4	 -5222.6	   117.0
-  23970.0000	   216.1	   147.5	 -5148.3	   117.0
-  23975.0000	   148.6	   147.5	 -5215.9	   117.0
-  23980.0000	   196.2	   147.5	 -5168.3	   117.0
-  23985.0000	   230.7	   147.5	 -5133.8	   117.1
-  23990.0000	   251.1	   147.6	 -5113.4	   117.1
-  23995.0000	   176.4	   147.6	 -5188.2	   117.1
-  24000.0000	   163.3	   147.6	 -5201.3	   117.2
-  24005.0000	   170.5	   147.6	 -5194.1	   117.2
-  24010.0000	   143.2	   147.7	 -5221.4	   117.2
-  24015.0000	   177.5	   147.7	 -5187.2	   117.2
-  24020.0000	   198.0	   147.7	 -5166.7	   117.3
-  24025.0000	   260.0	   147.7	 -5104.7	   117.3
-  24030.0000	   150.5	   147.8	 -5214.2	   117.3
-  24035.0000	   137.1	   147.8	 -5227.7	   117.3
-  24040.0000	   198.8	   147.8	 -5166.0	   117.4
-  24045.0000	   199.0	   147.9	 -5165.8	   117.4
-  24050.0000	   212.8	   147.9	 -5152.1	   117.4
-  24055.0000	   171.9	   147.9	 -5193.0	   117.4
-  24060.0000	   199.4	   147.9	 -5165.5	   117.5
-  24065.0000	   172.3	   148.0	 -5192.6	   117.5
-  24070.0000	   179.6	   148.0	 -5185.4	   117.5
-  24075.0000	   179.6	   148.0	 -5185.4	   117.6
-  24080.0000	   179.9	   148.0	 -5185.1	   117.6
-  24085.0000	   159.1	   148.1	 -5205.9	   117.6
-  24090.0000	   208.0	   148.1	 -5157.1	   117.6
-  24095.0000	   180.3	   148.1	 -5184.8	   117.7
-  24100.0000	   201.5	   148.2	 -5163.6	   117.7
-  24105.0000	   166.8	   148.2	 -5198.4	   117.7
-  24110.0000	   181.0	   148.2	 -5184.2	   117.7
-  24115.0000	   194.9	   148.2	 -5170.3	   117.8
-  24120.0000	   223.3	   148.3	 -5141.9	   117.8
-  24125.0000	   146.5	   148.3	 -5218.8	   117.8
-  24130.0000	   237.5	   148.3	 -5127.8	   117.9
-  24135.0000	   195.6	   148.4	 -5169.7	   117.9
-  24140.0000	   154.0	   148.4	 -5211.4	   117.9
-  24145.0000	   182.3	   148.4	 -5183.1	   117.9
-  24150.0000	   182.3	   148.4	 -5183.1	   118.0
-  24155.0000	   203.3	   148.5	 -5162.1	   118.0
-  24160.0000	   239.0	   148.5	 -5126.5	   118.0
-  24165.0000	   133.9	   148.5	 -5231.6	   118.1
-  24170.0000	   204.3	   148.6	 -5161.2	   118.1
-  24175.0000	   169.1	   148.6	 -5196.5	   118.1
-  24180.0000	   197.5	   148.6	 -5168.1	   118.2
-  24185.0000	   212.0	   148.6	 -5153.6	   118.2
-  24190.0000	   219.1	   148.7	 -5146.6	   118.2
-  24195.0000	   190.8	   148.7	 -5174.9	   118.2
-  24200.0000	   156.1	   148.7	 -5209.6	   118.3
-  24205.0000	   177.4	   148.8	 -5188.3	   118.3
-  24210.0000	   149.0	   148.8	 -5216.8	   118.3
-  24215.0000	   184.5	   148.8	 -5181.3	   118.4
-  24220.0000	   163.9	   148.9	 -5201.9	   118.4
-  24225.0000	   185.3	   148.9	 -5180.6	   118.4
-  24230.0000	   199.6	   148.9	 -5166.3	   118.5
-  24235.0000	   171.1	   148.9	 -5194.8	   118.5
-  24240.0000	   128.6	   149.0	 -5237.4	   118.5
-  24245.0000	   185.8	   149.0	 -5180.2	   118.5
-  24250.0000	   185.8	   149.0	 -5180.2	   118.6
-  24255.0000	   128.9	   149.1	 -5237.1	   118.6
-  24260.0000	   172.1	   149.1	 -5194.0	   118.6
-  24265.0000	   172.1	   149.1	 -5194.0	   118.7
-  24270.0000	   186.5	   149.2	 -5179.6	   118.7
-  24275.0000	   136.5	   149.2	 -5229.7	   118.7
-  24280.0000	   223.3	   149.2	 -5142.9	   118.8
-  24285.0000	   158.5	   149.3	 -5207.7	   118.8
-  24290.0000	   151.3	   149.3	 -5215.0	   118.8
-  24295.0000	   144.4	   149.3	 -5221.9	   118.9
-  24300.0000	   231.5	   149.4	 -5134.8	   118.9
-  24305.0000	   144.7	   149.4	 -5221.7	   118.9
-  24310.0000	   144.7	   149.4	 -5221.7	   119.0
-  24315.0000	   152.5	   149.4	 -5213.9	   119.0
-  24320.0000	   145.2	   149.5	 -5221.3	   119.0
-  24325.0000	   108.9	   149.5	 -5257.6	   119.0
-  24330.0000	   145.4	   149.5	 -5221.1	   119.1
-  24335.0000	   225.9	   149.6	 -5140.7	   119.1
-  24340.0000	   145.7	   149.6	 -5220.9	   119.1
-  24345.0000	   182.1	   149.6	 -5184.5	   119.2
-  24350.0000	   145.9	   149.7	 -5220.7	   119.2
-  24355.0000	   175.4	   149.7	 -5191.3	   119.2
-  24360.0000	   197.3	   149.7	 -5169.4	   119.3
-  24365.0000	   168.1	   149.8	 -5198.6	   119.3
-  24370.0000	   197.7	   149.8	 -5169.1	   119.3
-  24375.0000	   212.7	   149.8	 -5154.1	   119.4
-  24380.0000	   183.4	   149.9	 -5183.4	   119.4
-  24385.0000	   146.9	   149.9	 -5220.0	   119.4
-  24390.0000	   176.3	   149.9	 -5190.6	   119.5
-  24395.0000	   103.1	   150.0	 -5263.8	   119.5
-  24400.0000	   184.1	   150.0	 -5182.9	   119.5
-  24405.0000	   155.0	   150.0	 -5212.0	   119.6
-  24410.0000	   191.9	   150.1	 -5175.1	   119.6
-  24415.0000	   162.7	   150.1	 -5204.4	   119.6
-  24420.0000	   207.0	   150.1	 -5160.1	   119.7
-  24425.0000	   200.0	   150.2	 -5167.2	   119.7
-  24430.0000	   118.5	   150.2	 -5248.7	   119.7
-  24435.0000	   178.1	   150.2	 -5189.1	   119.8
-  24440.0000	   148.6	   150.3	 -5218.7	   119.8
-  24445.0000	    96.6	   150.3	 -5270.7	   119.9
-  24450.0000	   156.1	   150.3	 -5211.2	   119.9
-  24455.0000	   186.0	   150.4	 -5181.4	   119.9
-  24460.0000	   156.4	   150.4	 -5211.0	   120.0
-  24465.0000	   178.8	   150.5	 -5188.6	   120.0
-  24470.0000	   156.4	   150.5	 -5211.1	   120.0
-  24475.0000	   186.7	   150.5	 -5180.8	   120.1
-  24480.0000	   179.6	   150.6	 -5187.9	   120.1
-  24485.0000	   149.7	   150.6	 -5217.9	   120.1
-  24490.0000	   224.5	   150.6	 -5143.1	   120.2
-  24495.0000	   179.9	   150.7	 -5187.7	   120.2
-  24500.0000	   225.3	   150.7	 -5142.4	   120.2
-  24505.0000	   217.7	   150.7	 -5150.0	   120.3
-  24510.0000	   180.2	   150.8	 -5187.5	   120.3
-  24515.0000	   203.4	   150.8	 -5164.4	   120.3
-  24520.0000	   158.2	   150.8	 -5209.6	   120.4
-  24525.0000	   203.4	   150.9	 -5164.5	   120.4
-  24530.0000	   218.8	   150.9	 -5149.1	   120.5
-  24535.0000	   158.7	   151.0	 -5209.2	   120.5
-  24540.0000	   158.7	   151.0	 -5209.3	   120.5
-  24545.0000	   128.5	   151.0	 -5239.5	   120.6
-  24550.0000	   151.4	   151.1	 -5216.6	   120.6
-  24555.0000	   182.0	   151.1	 -5186.1	   120.6
-  24560.0000	   121.3	   151.1	 -5246.8	   120.7
-  24565.0000	   159.2	   151.2	 -5208.9	   120.7
-  24570.0000	   137.0	   151.2	 -5231.2	   120.7
-  24575.0000	   159.9	   151.2	 -5208.3	   120.8
-  24580.0000	   159.9	   151.3	 -5208.4	   120.8
-  24585.0000	   175.1	   151.3	 -5193.2	   120.9
-  24590.0000	   198.7	   151.4	 -5169.6	   120.9
-  24595.0000	   198.7	   151.4	 -5169.7	   120.9
-  24600.0000	   198.7	   151.4	 -5169.7	   121.0
-  24605.0000	   168.1	   151.5	 -5200.3	   121.0
-  24610.0000	   207.6	   151.5	 -5160.9	   121.0
-  24615.0000	   123.0	   151.5	 -5245.5	   121.1
-  24620.0000	   192.2	   151.6	 -5176.4	   121.1
-  24625.0000	   207.8	   151.6	 -5160.8	   121.2
-  24630.0000	   169.6	   151.7	 -5199.0	   121.2
-  24635.0000	    84.8	   151.7	 -5283.9	   121.2
-  24640.0000	   239.0	   151.7	 -5129.7	   121.3
-  24645.0000	   146.7	   151.8	 -5222.0	   121.3
-  24650.0000	   201.1	   151.8	 -5167.7	   121.3
-  24655.0000	   108.3	   151.8	 -5260.5	   121.4
-  24660.0000	   131.5	   151.9	 -5237.4	   121.4
-  24665.0000	   186.1	   151.9	 -5182.8	   121.5
-  24670.0000	   155.3	   152.0	 -5213.6	   121.5
-  24675.0000	   194.1	   152.0	 -5174.9	   121.5
-  24680.0000	   163.1	   152.0	 -5205.9	   121.6
-  24685.0000	   140.0	   152.1	 -5229.1	   121.6
-  24690.0000	   148.0	   152.1	 -5221.1	   121.7
-  24695.0000	   124.6	   152.2	 -5244.5	   121.7
-  24700.0000	   156.1	   152.2	 -5213.1	   121.7
-  24705.0000	   163.9	   152.2	 -5205.3	   121.8
-  24710.0000	   203.5	   152.3	 -5165.8	   121.8
-  24715.0000	   211.4	   152.3	 -5157.9	   121.9
-  24720.0000	   180.3	   152.4	 -5189.0	   121.9
-  24725.0000	   227.4	   152.4	 -5142.0	   121.9
-  24730.0000	   173.0	   152.4	 -5196.4	   122.0
-  24735.0000	   149.4	   152.5	 -5220.1	   122.0
-  24740.0000	    94.5	   152.5	 -5275.0	   122.1
-  24745.0000	   204.8	   152.6	 -5164.7	   122.1
-  24750.0000	   189.6	   152.6	 -5180.0	   122.1
-  24755.0000	   158.3	   152.6	 -5211.3	   122.2
-  24760.0000	   237.5	   152.7	 -5132.2	   122.2
-  24765.0000	   182.5	   152.7	 -5187.2	   122.3
-  24770.0000	   166.6	   152.8	 -5203.1	   122.3
-  24775.0000	   206.7	   152.8	 -5163.1	   122.3
-  24780.0000	   159.0	   152.8	 -5210.8	   122.4
-  24785.0000	   167.3	   152.9	 -5202.6	   122.4
-  24790.0000	   191.2	   152.9	 -5178.7	   122.5
-  24795.0000	   223.6	   153.0	 -5146.3	   122.5
-  24800.0000	   175.7	   153.0	 -5194.3	   122.5
-  24805.0000	   120.1	   153.0	 -5249.9	   122.6
-  24810.0000	   192.5	   153.1	 -5177.6	   122.6
-  24815.0000	   120.3	   153.1	 -5249.8	   122.7
-  24820.0000	   192.5	   153.2	 -5177.6	   122.7
-  24825.0000	   192.8	   153.2	 -5177.4	   122.8
-  24830.0000	   209.3	   153.3	 -5160.9	   122.8
-  24835.0000	   225.4	   153.3	 -5144.9	   122.8
-  24840.0000	   128.8	   153.3	 -5241.5	   122.9
-  24845.0000	   121.0	   153.4	 -5249.4	   122.9
-  24850.0000	   274.7	   153.4	 -5095.7	   123.0
-  24855.0000	   145.4	   153.5	 -5225.0	   123.0
-  24860.0000	   202.0	   153.5	 -5168.5	   123.0
-  24865.0000	   121.5	   153.5	 -5249.0	   123.1
-  24870.0000	   186.6	   153.6	 -5184.0	   123.1
-  24875.0000	   146.1	   153.6	 -5224.5	   123.2
-  24880.0000	   129.8	   153.7	 -5240.9	   123.2
-  24885.0000	   179.3	   153.7	 -5191.4	   123.3
-  24890.0000	   187.5	   153.8	 -5183.2	   123.3
-  24895.0000	   163.0	   153.8	 -5207.8	   123.3
-  24900.0000	   163.0	   153.8	 -5207.8	   123.4
-  24905.0000	   171.8	   153.9	 -5199.1	   123.4
-  24910.0000	   122.7	   153.9	 -5248.2	   123.5
-  24915.0000	   147.2	   154.0	 -5223.8	   123.5
-  24920.0000	   196.3	   154.0	 -5174.7	   123.6
-  24925.0000	   189.1	   154.1	 -5181.9	   123.6
-  24930.0000	   172.6	   154.1	 -5198.5	   123.6
-  24935.0000	   197.3	   154.2	 -5173.8	   123.7
-  24940.0000	   148.3	   154.2	 -5222.9	   123.7
-  24945.0000	   173.6	   154.2	 -5197.6	   123.8
-  24950.0000	   165.3	   154.3	 -5206.0	   123.8
-  24955.0000	   198.4	   154.3	 -5172.9	   123.9
-  24960.0000	   157.4	   154.4	 -5213.9	   123.9
-  24965.0000	   166.1	   154.4	 -5205.3	   124.0
-  24970.0000	   124.6	   154.5	 -5246.8	   124.0
-  24975.0000	   182.7	   154.5	 -5188.8	   124.0
-  24980.0000	   149.8	   154.5	 -5221.7	   124.1
-  24985.0000	   150.0	   154.6	 -5221.6	   124.1
-  24990.0000	   150.0	   154.6	 -5221.6	   124.2
-  24995.0000	   158.7	   154.7	 -5213.0	   124.2
-  25000.0000	   217.7	   154.7	 -5154.0	   124.3
-  25005.0000	   150.7	   154.8	 -5221.0	   124.3
-  25010.0000	   125.6	   154.8	 -5246.2	   124.4
-  25015.0000	   192.7	   154.9	 -5179.1	   124.4
-  25020.0000	   193.1	   154.9	 -5178.8	   124.4
-  25025.0000	   201.5	   155.0	 -5170.4	   124.5
-  25030.0000	   226.6	   155.0	 -5145.4	   124.5
-  25035.0000	   117.8	   155.0	 -5254.2	   124.6
-  25040.0000	   244.3	   155.1	 -5127.8	   124.6
-  25045.0000	   101.1	   155.1	 -5271.0	   124.7
-  25050.0000	   151.6	   155.2	 -5220.6	   124.7
-  25055.0000	   219.3	   155.2	 -5152.9	   124.8
-  25060.0000	   185.9	   155.3	 -5186.3	   124.8
-  25065.0000	   177.4	   155.3	 -5194.9	   124.9
-  25070.0000	   135.4	   155.4	 -5236.9	   124.9
-  25075.0000	   245.4	   155.4	 -5127.0	   124.9
-  25080.0000	   152.6	   155.5	 -5219.8	   125.0
-  25085.0000	   203.4	   155.5	 -5169.1	   125.0
-  25090.0000	   144.4	   155.5	 -5228.1	   125.1
-  25095.0000	   127.4	   155.6	 -5245.2	   125.1
-  25100.0000	   144.7	   155.6	 -5227.9	   125.2
-  25105.0000	   187.3	   155.7	 -5185.4	   125.2
-  25110.0000	   187.5	   155.7	 -5185.2	   125.3
-  25115.0000	   179.0	   155.8	 -5193.8	   125.3
-  25120.0000	   153.6	   155.8	 -5219.2	   125.4
-  25125.0000	   188.1	   155.9	 -5184.8	   125.4
-  25130.0000	   196.7	   155.9	 -5176.2	   125.5
-  25135.0000	   136.8	   156.0	 -5236.1	   125.5
-  25140.0000	   171.3	   156.0	 -5201.7	   125.6
-  25145.0000	   223.0	   156.1	 -5150.0	   125.6
-  25150.0000	   171.5	   156.1	 -5201.6	   125.7
-  25155.0000	   240.2	   156.2	 -5132.9	   125.7
-  25160.0000	   197.8	   156.2	 -5175.4	   125.7
-  25165.0000	   207.0	   156.3	 -5166.2	   125.8
-  25170.0000	   129.4	   156.3	 -5243.9	   125.8
-  25175.0000	   155.2	   156.4	 -5218.1	   125.9
-  25180.0000	   207.6	   156.4	 -5165.8	   125.9
-  25185.0000	   164.5	   156.4	 -5208.9	   126.0
-  25190.0000	   147.2	   156.5	 -5226.3	   126.0
-  25195.0000	   181.8	   156.5	 -5191.7	   126.1
-  25200.0000	   164.8	   156.6	 -5208.8	   126.1
-  25205.0000	   173.4	   156.6	 -5200.2	   126.2
-  25210.0000	   182.1	   156.7	 -5191.6	   126.2
-  25215.0000	   173.8	   156.7	 -5199.9	   126.3
-  25220.0000	   165.4	   156.8	 -5208.4	   126.3
-  25225.0000	   156.7	   156.8	 -5217.1	   126.4
-  25230.0000	   182.9	   156.9	 -5191.0	   126.4
-  25235.0000	   165.8	   156.9	 -5208.1	   126.5
-  25240.0000	   236.0	   157.0	 -5138.0	   126.5
-  25245.0000	   183.6	   157.0	 -5190.4	   126.6
-  25250.0000	   131.1	   157.1	 -5243.0	   126.6
-  25255.0000	   131.7	   157.1	 -5242.4	   126.7
-  25260.0000	   114.1	   157.2	 -5260.1	   126.7
-  25265.0000	   175.6	   157.2	 -5198.6	   126.8
-  25270.0000	   140.5	   157.3	 -5233.8	   126.8
-  25275.0000	   220.2	   157.3	 -5154.1	   126.9
-  25280.0000	   202.6	   157.4	 -5171.8	   126.9
-  25285.0000	   211.4	   157.4	 -5163.0	   127.0
-  25290.0000	   158.5	   157.5	 -5216.0	   127.0
-  25295.0000	   203.3	   157.5	 -5171.2	   127.1
-  25300.0000	   194.4	   157.6	 -5180.2	   127.1
-  25305.0000	   247.5	   157.6	 -5127.1	   127.2
-  25310.0000	   141.4	   157.7	 -5233.3	   127.2
-  25315.0000	   230.2	   157.7	 -5144.5	   127.3
-  25320.0000	   203.6	   157.8	 -5171.2	   127.3
-  25325.0000	   194.8	   157.8	 -5180.0	   127.4
-  25330.0000	   177.3	   157.9	 -5197.6	   127.4
-  25335.0000	   177.5	   157.9	 -5197.4	   127.5
-  25340.0000	   213.0	   158.0	 -5162.0	   127.5
-  25345.0000	   168.6	   158.0	 -5206.4	   127.6
-  25350.0000	   142.3	   158.1	 -5232.8	   127.6
-  25355.0000	   213.9	   158.1	 -5161.2	   127.7
-  25360.0000	   187.2	   158.2	 -5188.0	   127.7
-  25365.0000	   196.1	   158.2	 -5179.1	   127.8
-  25370.0000	    89.3	   158.3	 -5286.0	   127.8
-  25375.0000	   187.8	   158.3	 -5187.5	   127.9
-  25380.0000	   169.9	   158.4	 -5205.5	   127.9
-  25385.0000	   134.4	   158.4	 -5241.0	   128.0
-  25390.0000	   215.1	   158.5	 -5160.4	   128.0
-  25395.0000	    71.7	   158.5	 -5303.8	   128.1
-  25400.0000	   116.6	   158.6	 -5259.0	   128.1
-  25405.0000	   215.9	   158.6	 -5159.7	   128.2
-  25410.0000	   134.9	   158.7	 -5240.8	   128.2
-  25415.0000	   189.4	   158.7	 -5186.3	   128.3
-  25420.0000	   261.6	   158.8	 -5114.2	   128.3
-  25425.0000	   207.9	   158.8	 -5167.9	   128.4
-  25430.0000	   235.0	   158.9	 -5140.9	   128.4
-  25435.0000	   190.2	   159.0	 -5185.7	   128.5
-  25440.0000	   181.5	   159.0	 -5194.5	   128.5
-  25445.0000	   190.5	   159.1	 -5185.5	   128.6
-  25450.0000	   109.1	   159.1	 -5267.0	   128.6
-  25455.0000	   218.2	   159.2	 -5157.9	   128.7
-  25460.0000	   145.7	   159.2	 -5230.5	   128.8
-  25465.0000	   182.1	   159.3	 -5194.1	   128.8
-  25470.0000	   164.2	   159.3	 -5212.1	   128.9
-  25475.0000	   191.6	   159.4	 -5184.7	   128.9
-  25480.0000	   146.3	   159.4	 -5230.1	   129.0
-  25485.0000	   201.1	   159.5	 -5175.4	   129.0
-  25490.0000	   210.6	   159.5	 -5165.9	   129.1
-  25495.0000	   247.9	   159.6	 -5128.7	   129.1
-  25500.0000	   119.3	   159.6	 -5257.3	   129.2
-  25505.0000	   165.2	   159.7	 -5211.5	   129.2
-  25510.0000	   119.6	   159.7	 -5257.1	   129.3
-  25515.0000	   175.0	   159.8	 -5201.8	   129.3
-  25520.0000	   211.8	   159.8	 -5165.0	   129.4
-  25525.0000	   147.4	   159.9	 -5229.5	   129.4
-  25530.0000	    73.9	   160.0	 -5303.0	   129.5
-  25535.0000	   194.1	   160.0	 -5182.9	   129.5
-  25540.0000	   268.1	   160.1	 -5108.9	   129.6
-  25545.0000	    83.2	   160.1	 -5293.9	   129.7
-  25550.0000	   157.5	   160.2	 -5219.6	   129.7
-  25555.0000	   167.2	   160.2	 -5210.0	   129.8
-  25560.0000	   185.8	   160.3	 -5191.5	   129.8
-  25565.0000	   213.6	   160.3	 -5163.7	   129.9
-  25570.0000	   167.6	   160.4	 -5209.8	   129.9
-  25575.0000	   149.0	   160.4	 -5228.4	   130.0
-  25580.0000	   149.0	   160.5	 -5228.5	   130.0
-  25585.0000	   195.5	   160.5	 -5182.0	   130.1
-  25590.0000	   177.7	   160.6	 -5199.9	   130.1
-  25595.0000	   205.8	   160.7	 -5171.8	   130.2
-  25600.0000	   102.9	   160.7	 -5274.8	   130.2
-  25605.0000	   205.8	   160.8	 -5171.9	   130.3
-  25610.0000	   168.9	   160.8	 -5208.9	   130.4
-  25615.0000	   187.6	   160.9	 -5190.2	   130.4
-  25620.0000	   122.0	   160.9	 -5255.9	   130.5
-  25625.0000	   131.7	   161.0	 -5246.3	   130.5
-  25630.0000	   169.5	   161.0	 -5208.5	   130.6
-  25635.0000	   207.2	   161.1	 -5170.9	   130.6
-  25640.0000	   150.7	   161.1	 -5227.4	   130.7
-  25645.0000	   207.6	   161.2	 -5170.6	   130.7
-  25650.0000	   208.3	   161.3	 -5169.9	   130.8
-  25655.0000	   189.4	   161.3	 -5188.9	   130.8
-  25660.0000	   198.9	   161.4	 -5179.4	   130.9
-  25665.0000	   209.1	   161.4	 -5169.3	   131.0
-  25670.0000	    85.6	   161.5	 -5292.9	   131.0
-  25675.0000	   123.6	   161.5	 -5254.9	   131.1
-  25680.0000	   190.3	   161.6	 -5188.3	   131.1
-  25685.0000	   143.0	   161.6	 -5235.6	   131.2
-  25690.0000	   152.5	   161.7	 -5226.2	   131.2
-  25695.0000	   181.1	   161.8	 -5197.6	   131.3
-  25700.0000	   124.1	   161.8	 -5254.7	   131.3
-  25705.0000	   191.2	   161.9	 -5187.6	   131.4
-  25710.0000	   143.4	   161.9	 -5235.5	   131.5
-  25715.0000	   153.0	   162.0	 -5226.0	   131.5
-  25720.0000	   153.1	   162.0	 -5225.9	   131.6
-  25725.0000	   163.0	   162.1	 -5216.1	   131.6
-  25730.0000	   191.7	   162.1	 -5187.4	   131.7
-  25735.0000	   268.4	   162.2	 -5110.8	   131.7
-  25740.0000	   115.2	   162.3	 -5264.0	   131.8
-  25745.0000	   134.7	   162.3	 -5244.6	   131.9
-  25750.0000	   250.2	   162.4	 -5129.1	   131.9
-  25755.0000	   202.6	   162.4	 -5176.8	   132.0
-  25760.0000	   183.3	   162.5	 -5196.2	   132.0
-  25765.0000	   203.1	   162.5	 -5176.4	   132.1
-  25770.0000	   174.1	   162.6	 -5205.5	   132.1
-  25775.0000	   193.9	   162.7	 -5185.7	   132.2
-  25780.0000	   164.8	   162.7	 -5214.9	   132.2
-  25785.0000	   233.2	   162.8	 -5146.5	   132.3
-  25790.0000	   233.2	   162.8	 -5146.6	   132.4
-  25795.0000	   194.7	   162.9	 -5185.2	   132.4
-  25800.0000	   146.0	   162.9	 -5233.9	   132.5
-  25805.0000	   156.2	   163.0	 -5223.8	   132.5
-  25810.0000	   127.1	   163.0	 -5252.9	   132.6
-  25815.0000	   136.8	   163.1	 -5243.3	   132.6
-  25820.0000	   234.6	   163.2	 -5145.5	   132.7
-  25825.0000	   166.4	   163.2	 -5213.8	   132.8
-  25830.0000	   215.9	   163.3	 -5164.4	   132.8
-  25835.0000	   186.5	   163.3	 -5193.8	   132.9
-  25840.0000	   127.6	   163.4	 -5252.8	   132.9
-  25845.0000	   196.6	   163.5	 -5183.8	   133.0
-  25850.0000	   285.5	   163.5	 -5095.0	   133.0
-  25855.0000	   206.8	   163.6	 -5173.7	   133.1
-  25860.0000	   187.1	   163.6	 -5193.5	   133.2
-  25865.0000	   207.6	   163.7	 -5173.1	   133.2
-  25870.0000	   187.8	   163.7	 -5192.9	   133.3
-  25875.0000	   257.0	   163.8	 -5123.8	   133.3
-  25880.0000	   118.6	   163.9	 -5262.2	   133.4
-  25885.0000	   149.0	   163.9	 -5231.9	   133.5
-  25890.0000	   218.5	   164.0	 -5162.4	   133.5
-  25895.0000	   268.1	   164.0	 -5112.9	   133.6
-  25900.0000	   228.8	   164.1	 -5152.3	   133.6
-  25905.0000	   119.5	   164.1	 -5261.6	   133.7
-  25910.0000	   179.3	   164.2	 -5201.9	   133.7
-  25915.0000	   199.2	   164.3	 -5182.0	   133.8
-  25920.0000	   229.5	   164.3	 -5151.8	   133.9
-  25925.0000	   290.1	   164.4	 -5091.3	   133.9
-  25930.0000	   160.1	   164.4	 -5221.3	   134.0
-  25935.0000	   210.1	   164.5	 -5171.4	   134.0
-  25940.0000	   201.0	   164.6	 -5180.5	   134.1
-  25945.0000	   160.8	   164.6	 -5220.8	   134.1
-  25950.0000	   241.1	   164.7	 -5140.5	   134.2
-  25955.0000	   201.0	   164.7	 -5180.7	   134.3
-  25960.0000	   131.0	   164.8	 -5250.8	   134.3
-  25965.0000	   201.5	   164.8	 -5180.3	   134.4
-  25970.0000	   211.6	   164.9	 -5170.3	   134.4
-  25975.0000	   191.4	   165.0	 -5190.5	   134.5
-  25980.0000	   171.9	   165.0	 -5210.1	   134.6
-  25985.0000	   202.3	   165.1	 -5179.8	   134.6
-  25990.0000	   242.7	   165.1	 -5139.4	   134.7
-  25995.0000	   131.6	   165.2	 -5250.6	   134.7
-  26000.0000	   131.8	   165.3	 -5250.4	   134.8
-  26005.0000	   142.0	   165.3	 -5240.3	   134.9
-  26010.0000	   152.1	   165.4	 -5230.3	   134.9
-  26015.0000	   162.5	   165.4	 -5219.9	   135.0
-  26020.0000	   172.9	   165.5	 -5209.6	   135.0
-  26025.0000	   132.2	   165.6	 -5250.3	   135.1
-  26030.0000	   213.6	   165.6	 -5169.0	   135.2
-  26035.0000	   122.2	   165.7	 -5260.4	   135.2
-  26040.0000	   183.5	   165.7	 -5199.2	   135.3
-  26045.0000	   152.9	   165.8	 -5229.9	   135.3
-  26050.0000	   204.3	   165.9	 -5178.5	   135.4
-  26055.0000	   112.4	   165.9	 -5270.5	   135.5
-  26060.0000	   174.1	   166.0	 -5208.8	   135.5
-  26065.0000	   133.1	   166.0	 -5249.9	   135.6
-  26070.0000	   112.8	   166.1	 -5270.3	   135.6
-  26075.0000	   246.2	   166.2	 -5136.9	   135.7
-  26080.0000	   205.7	   166.2	 -5177.5	   135.7
-  26085.0000	   216.0	   166.3	 -5167.2	   135.8
-  26090.0000	   206.1	   166.3	 -5177.2	   135.9
-  26095.0000	   144.3	   166.4	 -5239.1	   135.9
-  26100.0000	   175.4	   166.5	 -5208.0	   136.0
-  26105.0000	   154.7	   166.5	 -5228.8	   136.0
-  26110.0000	   124.0	   166.6	 -5259.5	   136.1
-  26115.0000	   144.9	   166.6	 -5238.7	   136.2
-  26120.0000	    82.8	   166.7	 -5300.9	   136.2
-  26125.0000	   124.5	   166.8	 -5259.2	   136.3
-  26130.0000	   228.3	   166.8	 -5155.5	   136.4
-  26135.0000	   166.3	   166.9	 -5217.5	   136.4
-  26140.0000	   259.9	   166.9	 -5124.0	   136.5
-  26145.0000	   114.6	   167.0	 -5269.4	   136.5
-  26150.0000	   135.4	   167.1	 -5248.6	   136.6
-  26155.0000	   177.5	   167.1	 -5206.6	   136.7
-  26160.0000	   208.9	   167.2	 -5175.3	   136.7
-  26165.0000	   167.4	   167.2	 -5216.8	   136.8
-  26170.0000	   188.4	   167.3	 -5195.9	   136.8
-  26175.0000	   136.2	   167.4	 -5248.1	   136.9
-  26180.0000	   199.5	   167.4	 -5184.9	   137.0
-  26185.0000	   210.0	   167.5	 -5174.5	   137.0
-  26190.0000	   126.0	   167.5	 -5258.5	   137.1
-  26195.0000	   241.8	   167.6	 -5142.8	   137.1
-  26200.0000	   221.2	   167.7	 -5163.4	   137.2
-  26205.0000	   179.1	   167.7	 -5205.6	   137.3
-  26210.0000	   147.5	   167.8	 -5237.3	   137.3
-  26215.0000	   116.1	   167.8	 -5268.7	   137.4
-  26220.0000	   169.2	   167.9	 -5215.7	   137.4
-  26225.0000	   169.2	   168.0	 -5215.7	   137.5
-  26230.0000	   264.4	   168.0	 -5120.6	   137.6
-  26235.0000	   158.9	   168.1	 -5226.2	   137.6
-  26240.0000	   180.1	   168.1	 -5205.0	   137.7
-  26245.0000	   190.7	   168.2	 -5194.5	   137.7
-  26250.0000	   137.7	   168.3	 -5247.5	   137.8
-  26255.0000	   116.9	   168.3	 -5268.4	   137.9
-  26260.0000	   180.7	   168.4	 -5204.7	   137.9
-  26265.0000	   159.4	   168.5	 -5226.0	   138.0
-  26270.0000	   138.2	   168.5	 -5247.3	   138.1
-  26275.0000	   213.1	   168.6	 -5172.5	   138.1
-  26280.0000	   159.8	   168.6	 -5225.8	   138.2
-  26285.0000	   234.4	   168.7	 -5151.3	   138.2
-  26290.0000	   138.5	   168.8	 -5247.2	   138.3
-  26295.0000	   160.4	   168.8	 -5225.4	   138.4
-  26300.0000	   160.4	   168.9	 -5225.5	   138.4
-  26305.0000	   139.0	   168.9	 -5246.9	   138.5
-  26310.0000	   149.8	   169.0	 -5236.2	   138.5
-  26315.0000	   193.0	   169.1	 -5193.0	   138.6
-  26320.0000	   193.0	   169.1	 -5193.1	   138.7
-  26325.0000	   193.0	   169.2	 -5193.2	   138.7
-  26330.0000	   139.7	   169.3	 -5246.5	   138.8
-  26335.0000	   129.1	   169.3	 -5257.2	   138.9
-  26340.0000	   204.4	   169.4	 -5182.0	   138.9
-  26345.0000	   139.9	   169.4	 -5246.5	   139.0
-  26350.0000	   151.4	   169.5	 -5235.1	   139.0
-  26355.0000	   194.6	   169.6	 -5191.9	   139.1
-  26360.0000	   216.2	   169.6	 -5170.4	   139.2
-  26365.0000	   140.8	   169.7	 -5245.9	   139.2
-  26370.0000	   130.1	   169.7	 -5256.6	   139.3
-  26375.0000	    97.6	   169.8	 -5289.2	   139.4
-  26380.0000	   151.8	   169.9	 -5235.0	   139.4
-  26385.0000	   152.1	   169.9	 -5234.8	   139.5
-  26390.0000	   217.7	   170.0	 -5169.3	   139.5
-  26395.0000	   174.1	   170.1	 -5212.9	   139.6
-  26400.0000	   130.6	   170.1	 -5256.5	   139.7
-  26405.0000	   229.2	   170.2	 -5158.0	   139.7
-  26410.0000	   207.6	   170.2	 -5179.6	   139.8
-  26415.0000	   163.9	   170.3	 -5223.4	   139.8
-  26420.0000	    98.6	   170.4	 -5288.7	   139.9
-  26425.0000	   164.3	   170.4	 -5223.1	   140.0
-  26430.0000	   175.5	   170.5	 -5212.0	   140.0
-  26435.0000	   164.6	   170.6	 -5222.9	   140.1
-  26440.0000	   120.8	   170.6	 -5266.8	   140.2
-  26445.0000	   208.6	   170.7	 -5179.1	   140.2
-  26450.0000	   176.0	   170.7	 -5211.7	   140.3
-  26455.0000	   197.9	   170.8	 -5189.9	   140.3
-  26460.0000	   132.3	   170.9	 -5255.5	   140.4
-  26465.0000	   187.4	   170.9	 -5200.5	   140.5
-  26470.0000	   132.6	   171.0	 -5255.4	   140.5
-  26475.0000	   210.0	   171.1	 -5178.0	   140.6
-  26480.0000	   132.8	   171.1	 -5255.3	   140.7
-  26485.0000	   110.7	   171.2	 -5277.5	   140.7
-  26490.0000	   188.4	   171.2	 -5199.8	   140.8
-  26495.0000	   210.9	   171.3	 -5177.4	   140.8
-  26500.0000	   177.6	   171.4	 -5210.7	   140.9
-  26505.0000	   155.4	   171.4	 -5233.0	   141.0
-  26510.0000	   211.5	   171.5	 -5177.0	   141.0
-  26515.0000	   156.2	   171.6	 -5232.3	   141.1
-  26520.0000	   212.0	   171.6	 -5176.6	   141.2
-  26525.0000	   189.7	   171.7	 -5199.0	   141.2
-  26530.0000	   201.2	   171.7	 -5187.5	   141.3
-  26535.0000	   145.6	   171.8	 -5243.2	   141.3
-  26540.0000	   145.6	   171.9	 -5243.2	   141.4
-  26545.0000	   201.6	   171.9	 -5187.3	   141.5
-  26550.0000	   146.2	   172.0	 -5242.8	   141.5
-  26555.0000	   135.0	   172.1	 -5254.0	   141.6
-  26560.0000	   191.2	   172.1	 -5197.9	   141.7
-  26565.0000	   203.0	   172.2	 -5186.2	   141.7
-  26570.0000	   169.4	   172.2	 -5219.8	   141.8
-  26575.0000	   214.6	   172.3	 -5174.7	   141.8
-  26580.0000	   146.9	   172.4	 -5242.4	   141.9
-  26585.0000	   135.8	   172.4	 -5253.6	   142.0
-  26590.0000	   204.1	   172.5	 -5185.4	   142.0
-  26595.0000	   238.1	   172.6	 -5151.4	   142.1
-  26600.0000	   238.1	   172.6	 -5151.5	   142.2
-  26605.0000	   136.5	   172.7	 -5253.2	   142.2
-  26610.0000	   102.4	   172.8	 -5287.3	   142.3
-  26615.0000	   227.6	   172.8	 -5162.2	   142.4
-  26620.0000	   102.4	   172.9	 -5287.5	   142.4
-  26625.0000	   216.9	   172.9	 -5173.0	   142.5
-  26630.0000	   262.5	   173.0	 -5127.5	   142.5
-  26635.0000	   296.8	   173.1	 -5093.2	   142.6
-  26640.0000	   171.2	   173.1	 -5218.9	   142.7
-  26645.0000	   195.0	   173.2	 -5195.2	   142.7
-  26650.0000	   149.2	   173.3	 -5241.0	   142.8
-  26655.0000	   195.0	   173.3	 -5195.3	   142.9
-  26660.0000	   183.6	   173.4	 -5206.8	   142.9
-  26665.0000	   138.3	   173.4	 -5252.1	   143.0
-  26670.0000	   253.6	   173.5	 -5136.9	   143.0
-  26675.0000	   161.4	   173.6	 -5229.1	   143.1
-  26680.0000	   161.6	   173.6	 -5229.0	   143.2
-  26685.0000	   161.8	   173.7	 -5228.9	   143.2
-  26690.0000	   184.9	   173.8	 -5205.8	   143.3
-  26695.0000	   208.0	   173.8	 -5182.8	   143.4
-  26700.0000	   219.8	   173.9	 -5171.1	   143.4
-  26705.0000	   139.1	   173.9	 -5251.8	   143.5
-  26710.0000	   127.5	   174.0	 -5263.5	   143.6
-  26715.0000	   197.1	   174.1	 -5194.0	   143.6
-  26720.0000	   185.8	   174.1	 -5205.3	   143.7
-  26725.0000	   267.5	   174.2	 -5123.7	   143.7
-  26730.0000	   174.4	   174.3	 -5216.8	   143.8
-  26735.0000	   174.8	   174.3	 -5216.5	   143.9
-  26740.0000	   104.9	   174.4	 -5286.5	   143.9
-  26745.0000	   280.4	   174.5	 -5111.0	   144.0
-  26750.0000	   116.8	   174.5	 -5274.7	   144.1
-  26755.0000	   164.0	   174.6	 -5227.6	   144.1
-  26760.0000	   199.1	   174.6	 -5192.5	   144.2
-  26765.0000	   176.1	   174.7	 -5215.6	   144.2
-  26770.0000	   164.4	   174.8	 -5227.3	   144.3
-  26775.0000	   188.3	   174.8	 -5203.5	   144.4
-  26780.0000	   188.3	   174.9	 -5203.6	   144.4
-  26785.0000	   177.2	   175.0	 -5214.7	   144.5
-  26790.0000	   118.1	   175.0	 -5273.9	   144.6
-  26795.0000	   260.3	   175.1	 -5131.8	   144.6
-  26800.0000	   189.8	   175.1	 -5202.3	   144.7
-  26805.0000	   225.4	   175.2	 -5166.8	   144.7
-  26810.0000	   154.4	   175.3	 -5237.9	   144.8
-  26815.0000	   118.8	   175.3	 -5273.5	   144.9
-  26820.0000	   226.0	   175.4	 -5166.4	   144.9
-  26825.0000	   202.2	   175.5	 -5190.2	   145.0
-  26830.0000	   226.6	   175.5	 -5165.9	   145.1
-  26835.0000	    95.4	   175.6	 -5297.2	   145.1
-  26840.0000	   179.3	   175.7	 -5213.3	   145.2
-  26845.0000	   155.4	   175.7	 -5237.3	   145.3
-  26850.0000	   179.5	   175.8	 -5213.3	   145.3
-  26855.0000	   179.5	   175.8	 -5213.3	   145.4
-  26860.0000	   119.8	   175.9	 -5273.1	   145.4
-  26865.0000	   204.0	   176.0	 -5188.9	   145.5
-  26870.0000	   168.0	   176.0	 -5225.0	   145.6
-  26875.0000	   144.0	   176.1	 -5249.1	   145.6
-  26880.0000	   180.1	   176.2	 -5213.0	   145.7
-  26885.0000	   108.3	   176.2	 -5284.9	   145.8
-  26890.0000	   228.6	   176.3	 -5164.7	   145.8
-  26895.0000	   156.4	   176.3	 -5236.9	   145.9
-  26900.0000	   192.8	   176.4	 -5200.6	   145.9
-  26905.0000	   144.9	   176.5	 -5248.5	   146.0
-  26910.0000	   253.6	   176.5	 -5139.9	   146.1
-  26915.0000	   241.5	   176.6	 -5152.1	   146.1
-  26920.0000	   279.0	   176.7	 -5114.6	   146.2
-  26925.0000	   181.9	   176.7	 -5211.8	   146.3
-  26930.0000	   206.2	   176.8	 -5187.6	   146.3
-  26935.0000	   145.6	   176.9	 -5248.2	   146.4
-  26940.0000	   121.6	   176.9	 -5272.3	   146.5
-  26945.0000	   194.6	   177.0	 -5199.4	   146.5
-  26950.0000	   194.6	   177.0	 -5199.4	   146.6
-  26955.0000	   304.1	   177.1	 -5090.0	   146.6
-  26960.0000	   170.9	   177.2	 -5223.2	   146.7
-  26965.0000	   183.1	   177.2	 -5211.1	   146.8
-  26970.0000	   195.3	   177.3	 -5199.0	   146.8
-  26975.0000	   183.1	   177.4	 -5211.2	   146.9
-  26980.0000	   183.5	   177.4	 -5210.9	   147.0
-  26985.0000	   195.8	   177.5	 -5198.7	   147.0
-  26990.0000	   256.9	   177.5	 -5137.6	   147.1
-  26995.0000	   196.1	   177.6	 -5198.5	   147.1
-  27000.0000	   196.7	   177.7	 -5197.9	   147.2
-  27005.0000	   159.8	   177.7	 -5234.9	   147.3
-  27010.0000	   122.9	   177.8	 -5271.9	   147.3
-  27015.0000	   246.2	   177.9	 -5148.6	   147.4
-  27020.0000	   222.3	   177.9	 -5172.6	   147.5
-  27025.0000	   160.5	   178.0	 -5234.5	   147.5
-  27030.0000	    98.8	   178.0	 -5296.2	   147.6
-  27035.0000	   173.2	   178.1	 -5221.9	   147.6
-  27040.0000	   235.1	   178.2	 -5160.0	   147.7
-  27045.0000	   210.3	   178.2	 -5184.9	   147.8
-  27050.0000	   247.6	   178.3	 -5147.7	   147.8
-  27055.0000	   161.4	   178.4	 -5233.9	   147.9
-  27060.0000	   198.6	   178.4	 -5196.8	   148.0
-  27065.0000	   260.7	   178.5	 -5134.8	   148.0
-  27070.0000	   161.6	   178.5	 -5233.9	   148.1
-  27075.0000	   174.2	   178.6	 -5221.4	   148.1
-  27080.0000	   261.3	   178.7	 -5134.3	   148.2
-  27085.0000	   161.8	   178.7	 -5233.9	   148.3
-  27090.0000	   286.5	   178.8	 -5109.3	   148.3
-  27095.0000	   137.4	   178.9	 -5258.4	   148.4
-  27100.0000	   199.8	   178.9	 -5196.1	   148.5
-  27105.0000	   175.3	   179.0	 -5220.7	   148.5
-  27110.0000	   162.7	   179.0	 -5233.3	   148.6
-  27115.0000	   188.0	   179.1	 -5208.1	   148.6
-  27120.0000	   175.5	   179.2	 -5220.6	   148.7
-  27125.0000	   175.9	   179.2	 -5220.3	   148.8
-  27130.0000	   201.0	   179.3	 -5195.3	   148.8
-  27135.0000	   264.2	   179.4	 -5132.1	   148.9
-  27140.0000	   176.1	   179.4	 -5220.3	   149.0
-  27145.0000	   188.9	   179.5	 -5207.6	   149.0
-  27150.0000	   100.8	   179.5	 -5295.7	   149.1
-  27155.0000	   252.3	   179.6	 -5144.3	   149.1
-  27160.0000	   264.9	   179.7	 -5131.7	   149.2
-  27165.0000	    63.2	   179.7	 -5333.5	   149.3
-  27170.0000	   214.8	   179.8	 -5182.0	   149.3
-  27175.0000	   164.8	   179.9	 -5232.0	   149.4
-  27180.0000	   165.2	   179.9	 -5231.7	   149.5
-  27185.0000	   266.9	   180.0	 -5130.1	   149.5
-  27190.0000	   190.6	   180.0	 -5206.4	   149.6
-  27195.0000	   152.8	   180.1	 -5244.3	   149.6
-  27200.0000	   191.5	   180.2	 -5205.6	   149.7
-  27205.0000	   178.7	   180.2	 -5218.5	   149.8
-  27210.0000	   204.2	   180.3	 -5193.1	   149.8
-  27215.0000	    89.6	   180.4	 -5307.7	   149.9
-  27220.0000	   153.9	   180.4	 -5243.5	   150.0
-  27225.0000	   166.7	   180.5	 -5230.8	   150.0
-  27230.0000	   230.9	   180.5	 -5166.6	   150.1
-  27235.0000	   283.1	   180.6	 -5114.5	   150.1
-  27240.0000	   128.7	   180.7	 -5268.9	   150.2
-  27245.0000	   218.7	   180.7	 -5179.0	   150.3
-  27250.0000	   154.6	   180.8	 -5243.2	   150.3
-  27255.0000	   232.0	   180.8	 -5165.8	   150.4
-  27260.0000	   232.0	   180.9	 -5165.9	   150.4
-  27265.0000	   206.2	   181.0	 -5191.7	   150.5
-  27270.0000	   232.3	   181.0	 -5165.7	   150.6
-  27275.0000	   193.7	   181.1	 -5204.4	   150.6
-  27280.0000	   180.8	   181.2	 -5217.3	   150.7
-  27285.0000	   258.3	   181.2	 -5139.9	   150.8
-  27290.0000	   142.7	   181.3	 -5255.6	   150.8
-  27295.0000	   246.4	   181.3	 -5151.9	   150.9
-  27300.0000	   168.6	   181.4	 -5229.8	   150.9
-  27305.0000	   181.6	   181.5	 -5216.8	   151.0
-  27310.0000	   195.1	   181.5	 -5203.4	   151.1
-  27315.0000	   351.1	   181.6	 -5047.5	   151.1
-  27320.0000	   195.1	   181.6	 -5203.5	   151.2
-  27325.0000	   143.1	   181.7	 -5255.6	   151.2
-  27330.0000	   234.6	   181.8	 -5164.1	   151.3
-  27335.0000	   234.6	   181.8	 -5164.2	   151.4
-  27340.0000	   117.3	   181.9	 -5281.6	   151.4
-  27345.0000	   143.3	   182.0	 -5255.6	   151.5
-  27350.0000	   144.0	   182.0	 -5255.0	   151.6
-  27355.0000	   130.9	   182.1	 -5268.1	   151.6
-  27360.0000	   196.3	   182.1	 -5202.8	   151.7
-  27365.0000	   209.5	   182.2	 -5189.7	   151.7
-  27370.0000	   209.9	   182.3	 -5189.3	   151.8
-  27375.0000	   183.7	   182.3	 -5215.6	   151.9
-  27380.0000	   209.9	   182.4	 -5189.5	   151.9
-  27385.0000	    92.0	   182.4	 -5307.4	   152.0
-  27390.0000	   236.8	   182.5	 -5162.7	   152.0
-  27395.0000	   144.7	   182.6	 -5254.8	   152.1
-  27400.0000	   184.2	   182.6	 -5215.4	   152.2
-  27405.0000	   289.8	   182.7	 -5109.9	   152.2
-  27410.0000	   118.8	   182.7	 -5280.9	   152.3
-  27415.0000	   158.4	   182.8	 -5241.4	   152.3
-  27420.0000	   132.3	   182.9	 -5267.5	   152.4
-  27425.0000	   172.0	   182.9	 -5227.9	   152.5
-  27430.0000	   198.7	   183.0	 -5201.3	   152.5
-  27435.0000	   145.7	   183.0	 -5254.3	   152.6
-  27440.0000	   265.7	   183.1	 -5134.4	   152.6
-  27445.0000	   159.4	   183.2	 -5240.7	   152.7
-  27450.0000	   226.4	   183.2	 -5173.8	   152.8
-  27455.0000	   146.5	   183.3	 -5253.8	   152.8
-  27460.0000	   186.6	   183.3	 -5213.7	   152.9
-  27465.0000	   253.2	   183.4	 -5147.2	   152.9
-  27470.0000	   187.2	   183.5	 -5213.2	   153.0
-  27475.0000	   227.6	   183.5	 -5172.9	   153.1
-  27480.0000	   147.3	   183.6	 -5253.3	   153.1
-  27485.0000	    94.0	   183.6	 -5306.6	   153.2
-  27490.0000	   214.8	   183.7	 -5185.9	   153.2
-  27495.0000	   242.0	   183.8	 -5158.7	   153.3
-  27500.0000	   215.1	   183.8	 -5185.7	   153.4
-  27505.0000	   121.3	   183.9	 -5279.6	   153.4
-  27510.0000	   229.2	   183.9	 -5171.7	   153.5
-  27515.0000	   270.0	   184.0	 -5131.0	   153.5
-  27520.0000	   175.5	   184.1	 -5225.5	   153.6
-  27525.0000	   162.3	   184.1	 -5238.8	   153.7
-  27530.0000	   148.8	   184.2	 -5252.4	   153.7
-  27535.0000	    67.8	   184.2	 -5333.4	   153.8
-  27540.0000	   176.2	   184.3	 -5225.1	   153.8
-  27545.0000	   231.1	   184.4	 -5170.2	   153.9
-  27550.0000	   163.3	   184.4	 -5238.1	   154.0
-  27555.0000	   204.1	   184.5	 -5197.3	   154.0
-  27560.0000	    95.3	   184.5	 -5306.2	   154.1
-  27565.0000	   286.2	   184.6	 -5115.4	   154.1
-  27570.0000	   163.8	   184.6	 -5237.8	   154.2
-  27575.0000	   273.0	   184.7	 -5128.7	   154.2
-  27580.0000	   191.1	   184.8	 -5210.6	   154.3
-  27585.0000	   177.8	   184.8	 -5224.0	   154.4
-  27590.0000	   137.1	   184.9	 -5264.8	   154.4
-  27595.0000	   274.2	   184.9	 -5127.7	   154.5
-  27600.0000	   233.0	   185.0	 -5169.0	   154.5
-  27605.0000	   178.8	   185.1	 -5223.2	   154.6
-  27610.0000	   192.5	   185.1	 -5209.6	   154.7
-  27615.0000	   247.6	   185.2	 -5154.6	   154.7
-  27620.0000	   151.3	   185.2	 -5250.9	   154.8
-  27625.0000	   220.9	   185.3	 -5181.4	   154.8
-  27630.0000	   138.1	   185.4	 -5264.2	   154.9
-  27635.0000	   138.1	   185.4	 -5264.3	   154.9
-  27640.0000	   179.5	   185.5	 -5222.9	   155.0
-  27645.0000	   249.4	   185.5	 -5153.1	   155.1
-  27650.0000	   207.8	   185.6	 -5194.8	   155.1
-  27655.0000	   194.0	   185.6	 -5208.6	   155.2
-  27660.0000	   180.5	   185.7	 -5222.2	   155.2
-  27665.0000	   208.6	   185.8	 -5194.1	   155.3
-  27670.0000	   152.9	   185.8	 -5249.9	   155.4
-  27675.0000	   152.9	   185.9	 -5249.9	   155.4
-  27680.0000	   250.9	   185.9	 -5152.0	   155.5
-  27685.0000	   111.7	   186.0	 -5291.3	   155.5
-  27690.0000	   223.4	   186.0	 -5179.6	   155.6
-  27695.0000	   153.6	   186.1	 -5249.5	   155.6
-  27700.0000	   182.0	   186.2	 -5221.1	   155.7
-  27705.0000	   126.0	   186.2	 -5277.2	   155.8
-  27710.0000	   224.0	   186.3	 -5179.3	   155.8
-  27715.0000	   140.0	   186.3	 -5263.3	   155.9
-  27720.0000	   140.2	   186.4	 -5263.2	   155.9
-  27725.0000	   140.2	   186.4	 -5263.2	   156.0
-  27730.0000	   266.4	   186.5	 -5137.1	   156.0
-  27735.0000	   182.5	   186.6	 -5221.0	   156.1
-  27740.0000	   182.8	   186.6	 -5220.8	   156.2
-  27745.0000	   154.7	   186.7	 -5248.9	   156.2
-  27750.0000	   140.6	   186.7	 -5263.1	   156.3
-  27755.0000	   126.8	   186.8	 -5277.0	   156.3
-  27760.0000	   212.0	   186.8	 -5191.8	   156.4
-  27765.0000	   212.0	   186.9	 -5191.9	   156.4
-  27770.0000	   212.0	   187.0	 -5191.9	   156.5
-  27775.0000	    84.9	   187.0	 -5319.1	   156.6
-  27780.0000	   184.4	   187.1	 -5219.6	   156.6
-  27785.0000	   212.7	   187.1	 -5191.4	   156.7
-  27790.0000	   156.2	   187.2	 -5248.0	   156.7
-  27795.0000	   213.1	   187.2	 -5191.1	   156.8
-  27800.0000	   227.9	   187.3	 -5176.4	   156.8
-  27805.0000	   171.0	   187.3	 -5233.3	   156.9
-  27810.0000	   199.3	   187.4	 -5205.1	   156.9
-  27815.0000	   256.4	   187.5	 -5148.0	   157.0
-  27820.0000	   114.1	   187.5	 -5290.4	   157.1
-  27825.0000	    85.6	   187.6	 -5318.9	   157.1
-  27830.0000	   185.7	   187.6	 -5218.9	   157.2
-  27835.0000	   271.7	   187.7	 -5133.0	   157.2
-  27840.0000	   200.3	   187.7	 -5204.4	   157.3
-  27845.0000	   200.5	   187.8	 -5204.3	   157.3
-  27850.0000	   215.0	   187.8	 -5189.8	   157.4
-  27855.0000	   215.2	   187.9	 -5189.7	   157.4
-  27860.0000	   158.0	   188.0	 -5246.9	   157.5
-  27865.0000	   100.6	   188.0	 -5304.4	   157.6
-  27870.0000	   129.5	   188.1	 -5275.5	   157.6
-  27875.0000	   216.0	   188.1	 -5189.1	   157.7
-  27880.0000	   144.1	   188.2	 -5261.1	   157.7
-  27885.0000	   101.0	   188.2	 -5304.2	   157.8
-  27890.0000	   173.3	   188.3	 -5232.0	   157.8
-  27895.0000	   144.5	   188.3	 -5260.8	   157.9
-  27900.0000	   202.5	   188.4	 -5202.9	   157.9
-  27905.0000	   202.7	   188.5	 -5202.7	   158.0
-  27910.0000	   231.9	   188.5	 -5173.6	   158.0
-  27915.0000	   130.5	   188.6	 -5275.0	   158.1
-  27920.0000	   232.3	   188.6	 -5173.3	   158.2
-  27925.0000	   130.8	   188.7	 -5274.8	   158.2
-  27930.0000	   203.6	   188.7	 -5202.1	   158.3
-  27935.0000	   276.6	   188.8	 -5129.2	   158.3
-  27940.0000	   160.3	   188.8	 -5245.5	   158.4
-  27945.0000	   218.7	   188.9	 -5187.2	   158.4
-  27950.0000	   218.9	   188.9	 -5187.0	   158.5
-  27955.0000	   116.9	   189.0	 -5289.1	   158.5
-  27960.0000	   190.1	   189.0	 -5215.9	   158.6
-  27965.0000	   219.5	   189.1	 -5186.6	   158.6
-  27970.0000	   278.3	   189.2	 -5127.8	   158.7
-  27975.0000	   307.9	   189.2	 -5098.3	   158.7
-  27980.0000	   190.8	   189.3	 -5215.4	   158.8
-  27985.0000	   205.6	   189.3	 -5200.7	   158.8
-  27990.0000	   102.9	   189.4	 -5303.4	   158.9
-  27995.0000	    88.3	   189.4	 -5318.1	   159.0
-  28000.0000	   235.6	   189.5	 -5170.8	   159.0
-  28005.0000	   162.1	   189.5	 -5244.4	   159.1
-  28010.0000	   132.8	   189.6	 -5273.8	   159.1
-  28015.0000	   162.4	   189.6	 -5244.2	   159.2
-  28020.0000	   177.4	   189.7	 -5229.3	   159.2
-  28025.0000	   266.3	   189.7	 -5140.4	   159.3
-  28030.0000	   325.7	   189.8	 -5081.1	   159.3
-  28035.0000	   118.6	   189.8	 -5288.2	   159.4
-  28040.0000	   178.0	   189.9	 -5228.9	   159.4
-  28045.0000	   178.1	   189.9	 -5228.8	   159.5
-  28050.0000	   208.0	   190.0	 -5199.0	   159.5
-  28055.0000	   178.5	   190.0	 -5228.5	   159.6
-  28060.0000	   178.6	   190.1	 -5228.5	   159.6
-  28065.0000	   193.7	   190.1	 -5213.4	   159.7
-  28070.0000	   208.8	   190.2	 -5198.4	   159.7
-  28075.0000	   134.3	   190.3	 -5272.9	   159.8
-  28080.0000	   209.1	   190.3	 -5198.2	   159.8
-  28085.0000	   164.5	   190.4	 -5242.8	   159.9
-  28090.0000	    89.8	   190.4	 -5317.6	   159.9
-  28095.0000	   164.8	   190.5	 -5242.6	   160.0
-  28100.0000	   194.9	   190.5	 -5212.6	   160.0
-  28105.0000	   180.1	   190.6	 -5227.4	   160.1
-  28110.0000	   195.2	   190.6	 -5212.4	   160.1
-  28115.0000	   165.3	   190.7	 -5242.3	   160.2
-  28120.0000	   210.6	   190.7	 -5197.1	   160.3
-  28125.0000	   180.7	   190.8	 -5227.0	   160.3
-  28130.0000	   165.8	   190.8	 -5242.0	   160.4
-  28135.0000	   165.9	   190.9	 -5241.9	   160.4
-  28140.0000	   226.5	   190.9	 -5181.4	   160.5
-  28145.0000	   196.5	   191.0	 -5211.4	   160.5
-  28150.0000	   211.8	   191.0	 -5196.2	   160.6
-  28155.0000	   227.1	   191.1	 -5180.9	   160.6
-  28160.0000	   136.4	   191.1	 -5271.7	   160.7
-  28165.0000	   166.8	   191.2	 -5241.3	   160.7
-  28170.0000	   151.8	   191.2	 -5256.4	   160.8
-  28175.0000	   227.9	   191.3	 -5180.3	   160.8
-  28180.0000	    91.2	   191.3	 -5317.1	   160.9
-  28185.0000	   213.1	   191.4	 -5195.2	   160.9
-  28190.0000	   243.7	   191.4	 -5164.7	   161.0
-  28195.0000	   122.0	   191.5	 -5286.4	   161.0
-  28200.0000	   228.9	   191.5	 -5179.6	   161.1
-  28205.0000	   381.8	   191.6	 -5026.7	   161.1
-  28210.0000	   275.2	   191.6	 -5133.4	   161.1
-  28215.0000	   168.3	   191.7	 -5240.3	   161.2
-  28220.0000	   199.1	   191.7	 -5209.6	   161.2
-  28225.0000	   245.3	   191.8	 -5163.4	   161.3
-  28230.0000	   184.1	   191.8	 -5224.7	   161.3
-  28235.0000	   215.0	   191.9	 -5193.8	   161.4
-  28240.0000	   169.1	   191.9	 -5239.8	   161.4
-  28245.0000	   169.2	   192.0	 -5239.7	   161.5
-  28250.0000	   184.8	   192.0	 -5224.2	   161.5
-  28255.0000	   154.1	   192.0	 -5254.9	   161.6
-  28260.0000	   293.0	   192.1	 -5116.1	   161.6
-  28265.0000	   324.2	   192.1	 -5084.9	   161.7
-  28270.0000	   123.6	   192.2	 -5285.6	   161.7
-  28275.0000	   108.3	   192.2	 -5300.9	   161.8
-  28280.0000	   154.8	   192.3	 -5254.5	   161.8
-  28285.0000	   263.3	   192.3	 -5146.0	   161.9
-  28290.0000	   201.6	   192.4	 -5207.8	   161.9
-  28295.0000	   248.3	   192.4	 -5161.1	   162.0
-  28300.0000	   295.1	   192.5	 -5114.4	   162.0
-  28305.0000	   217.6	   192.5	 -5191.9	   162.1
-  28310.0000	    93.4	   192.6	 -5316.1	   162.1
-  28315.0000	   171.3	   192.6	 -5238.3	   162.2
-  28320.0000	   218.2	   192.7	 -5191.4	   162.2
-  28325.0000	   124.8	   192.7	 -5284.9	   162.2
-  28330.0000	   249.8	   192.8	 -5159.9	   162.3
-  28335.0000	   187.5	   192.8	 -5222.3	   162.3
-  28340.0000	   125.1	   192.8	 -5284.7	   162.4
-  28345.0000	   203.5	   192.9	 -5206.4	   162.4
-  28350.0000	   250.7	   192.9	 -5159.2	   162.5
-  28355.0000	   156.8	   193.0	 -5253.2	   162.5
-  28360.0000	   141.3	   193.0	 -5268.7	   162.6
-  28365.0000	   204.3	   193.1	 -5205.8	   162.6
-  28370.0000	   220.2	   193.1	 -5189.9	   162.7
-  28375.0000	   314.8	   193.2	 -5095.3	   162.7
-  28380.0000	   110.3	   193.2	 -5299.9	   162.8
-  28385.0000	   205.0	   193.3	 -5205.2	   162.8
-  28390.0000	   205.2	   193.3	 -5205.1	   162.8
-  28395.0000	   331.7	   193.4	 -5078.6	   162.9
-  28400.0000	   205.5	   193.4	 -5204.9	   162.9
-  28405.0000	   332.3	   193.4	 -5078.1	   163.0
-  28410.0000	   190.0	   193.5	 -5220.5	   163.0
-  28415.0000	   221.9	   193.5	 -5188.6	   163.1
-  28420.0000	   190.4	   193.6	 -5220.2	   163.1
-  28425.0000	   174.7	   193.6	 -5235.9	   163.2
-  28430.0000	   270.2	   193.7	 -5140.4	   163.2
-  28435.0000	    79.5	   193.7	 -5331.2	   163.2
-  28440.0000	   254.7	   193.8	 -5156.0	   163.3
-  28445.0000	   239.0	   193.8	 -5171.8	   163.3
-  28450.0000	   287.1	   193.8	 -5123.7	   163.4
-  28455.0000	   255.4	   193.9	 -5155.5	   163.4
-  28460.0000	   191.7	   193.9	 -5219.2	   163.5
-  28465.0000	   319.8	   194.0	 -5091.2	   163.5
-  28470.0000	    96.0	   194.0	 -5315.0	   163.6
-  28475.0000	   224.3	   194.1	 -5186.7	   163.6
-  28480.0000	   160.3	   194.1	 -5250.8	   163.6
-  28485.0000	   144.4	   194.1	 -5266.7	   163.7
-  28490.0000	   224.9	   194.2	 -5186.3	   163.7
-  28495.0000	   144.7	   194.2	 -5266.5	   163.8
-  28500.0000	   241.3	   194.3	 -5170.0	   163.8
-  28505.0000	   161.0	   194.3	 -5250.3	   163.9
-  28510.0000	   257.9	   194.4	 -5153.4	   163.9
-  28515.0000	   274.2	   194.4	 -5137.2	   163.9
-  28520.0000	   177.6	   194.4	 -5233.8	   164.0
-  28525.0000	   242.4	   194.5	 -5169.1	   164.0
-  28530.0000	   291.1	   194.5	 -5120.4	   164.1
-  28535.0000	   291.4	   194.6	 -5120.1	   164.1
-  28540.0000	   259.2	   194.6	 -5152.4	   164.2
-  28545.0000	   210.8	   194.7	 -5200.8	   164.2
-  28550.0000	   146.1	   194.7	 -5265.6	   164.2
-  28555.0000	   211.2	   194.7	 -5200.5	   164.3
-  28560.0000	   276.4	   194.8	 -5135.4	   164.3
-  28565.0000	   244.1	   194.8	 -5167.7	   164.4
-  28570.0000	   162.9	   194.9	 -5248.9	   164.4
-  28575.0000	   130.4	   194.9	 -5281.5	   164.4
-  28580.0000	   146.8	   194.9	 -5265.1	   164.5
-  28585.0000	   326.6	   195.0	 -5085.4	   164.5
-  28590.0000	   212.5	   195.0	 -5199.5	   164.6
-  28595.0000	   130.9	   195.1	 -5281.1	   164.6
-  28600.0000	   262.0	   195.1	 -5150.1	   164.6
-  28605.0000	   213.0	   195.2	 -5199.1	   164.7
-  28610.0000	    98.4	   195.2	 -5313.8	   164.7
-  28615.0000	   213.4	   195.2	 -5198.8	   164.8
-  28620.0000	   115.0	   195.3	 -5297.2	   164.8
-  28625.0000	   296.0	   195.3	 -5116.3	   164.8
-  28630.0000	   230.4	   195.4	 -5181.9	   164.9
-  28635.0000	   230.6	   195.4	 -5181.8	   164.9
-  28640.0000	   181.4	   195.4	 -5231.0	   165.0
-  28645.0000	   148.5	   195.5	 -5263.9	   165.0
-  28650.0000	   214.7	   195.5	 -5197.8	   165.0
-  28655.0000	   165.3	   195.5	 -5247.2	   165.1
-  28660.0000	   281.3	   195.6	 -5131.3	   165.1
-  28665.0000	   198.7	   195.6	 -5213.9	   165.2
-  28670.0000	   132.6	   195.7	 -5280.0	   165.2
-  28675.0000	   116.1	   195.7	 -5296.6	   165.2
-  28680.0000	   199.2	   195.7	 -5213.5	   165.3
-  28685.0000	    33.2	   195.8	 -5379.6	   165.3
-  28690.0000	   266.1	   195.8	 -5146.7	   165.4
-  28695.0000	   116.5	   195.9	 -5296.3	   165.4
-  28700.0000	   266.6	   195.9	 -5146.3	   165.4
-  28705.0000	   183.4	   195.9	 -5229.5	   165.5
-  28710.0000	   217.0	   196.0	 -5195.9	   165.5
-  28715.0000	   133.6	   196.0	 -5279.4	   165.5
-  28720.0000	   234.1	   196.0	 -5178.9	   165.6
-  28725.0000	   133.9	   196.1	 -5279.2	   165.6
-  28730.0000	   150.7	   196.1	 -5262.4	   165.7
-  28735.0000	   268.2	   196.2	 -5144.9	   165.7
-  28740.0000	   268.5	   196.2	 -5144.7	   165.7
-  28745.0000	   251.9	   196.2	 -5161.3	   165.8
-  28750.0000	   184.9	   196.3	 -5228.3	   165.8
-  28755.0000	   151.4	   196.3	 -5261.9	   165.8
-  28760.0000	   134.7	   196.3	 -5278.6	   165.9
-  28765.0000	   219.1	   196.4	 -5194.3	   165.9
-  28770.0000	   286.7	   196.4	 -5126.7	   166.0
-  28775.0000	   185.7	   196.5	 -5227.7	   166.0
-  28780.0000	   202.7	   196.5	 -5210.8	   166.0
-  28785.0000	   202.9	   196.5	 -5210.6	   166.1
-  28790.0000	   304.6	   196.6	 -5108.9	   166.1
-  28795.0000	   169.4	   196.6	 -5244.2	   166.1
-  28800.0000	   237.4	   196.6	 -5176.2	   166.2
-  28805.0000	   135.8	   196.7	 -5277.8	   166.2
-  28810.0000	   203.8	   196.7	 -5209.9	   166.2
-  28815.0000	   170.0	   196.7	 -5243.7	   166.3
-  28820.0000	   170.1	   196.8	 -5243.6	   166.3
-  28825.0000	   255.4	   196.8	 -5158.4	   166.3
-  28830.0000	   289.7	   196.8	 -5124.1	   166.4
-  28835.0000	   307.0	   196.9	 -5106.9	   166.4
-  28840.0000	   204.9	   196.9	 -5209.0	   166.4
-  28845.0000	   205.0	   196.9	 -5208.9	   166.5
-  28850.0000	   171.0	   197.0	 -5243.0	   166.5
-  28855.0000	   273.9	   197.0	 -5140.1	   166.6
-  28860.0000	   274.1	   197.0	 -5139.9	   166.6
-  28865.0000	   205.8	   197.1	 -5208.3	   166.6
-  28870.0000	   223.1	   197.1	 -5191.0	   166.7
-  28875.0000	   120.2	   197.1	 -5293.9	   166.7
-  28880.0000	   154.7	   197.2	 -5259.5	   166.7
-  28885.0000	   189.3	   197.2	 -5224.9	   166.8
-  28890.0000	   155.0	   197.2	 -5259.2	   166.8
-  28895.0000	   189.6	   197.3	 -5224.7	   166.8
-  28900.0000	   207.0	   197.3	 -5207.3	   166.9
-  28905.0000	   207.2	   197.3	 -5207.1	   166.9
-  28910.0000	   138.2	   197.4	 -5276.2	   166.9
-  28915.0000	   276.7	   197.4	 -5137.7	   166.9
-  28920.0000	   311.6	   197.4	 -5102.8	   167.0
-  28925.0000	   138.6	   197.5	 -5275.9	   167.0
-  28930.0000	   225.4	   197.5	 -5189.1	   167.0
-  28935.0000	   208.3	   197.5	 -5206.2	   167.1
-  28940.0000	   243.2	   197.6	 -5171.3	   167.1
-  28945.0000	   208.6	   197.6	 -5206.0	   167.1
-  28950.0000	   226.2	   197.6	 -5188.4	   167.2
-  28955.0000	   139.3	   197.7	 -5275.3	   167.2
-  28960.0000	   139.4	   197.7	 -5275.3	   167.2
-  28965.0000	   226.8	   197.7	 -5187.9	   167.3
-  28970.0000	   244.5	   197.8	 -5170.2	   167.3
-  28975.0000	   262.1	   197.8	 -5152.7	   167.3
-  28980.0000	   192.4	   197.8	 -5222.4	   167.4
-  28985.0000	   140.0	   197.9	 -5274.8	   167.4
-  28990.0000	   297.9	   197.9	 -5117.0	   167.4
-  28995.0000	   175.4	   197.9	 -5239.5	   167.5
-  29000.0000	   315.9	   197.9	 -5099.0	   167.5
-  29005.0000	   210.8	   198.0	 -5204.1	   167.5
-  29010.0000	   369.2	   198.0	 -5045.8	   167.5
-  29015.0000	   140.8	   198.0	 -5274.2	   167.6
-  29020.0000	   176.1	   198.1	 -5238.9	   167.6
-  29025.0000	   105.8	   198.1	 -5309.3	   167.6
-  29030.0000	   211.7	   198.1	 -5203.4	   167.7
-  29035.0000	   123.6	   198.2	 -5291.5	   167.7
-  29040.0000	   141.4	   198.2	 -5273.8	   167.7
-  29045.0000	   194.6	   198.2	 -5220.6	   167.7
-  29050.0000	   212.4	   198.2	 -5202.8	   167.8
-  29055.0000	   248.0	   198.3	 -5167.2	   167.8
-  29060.0000	   230.5	   198.3	 -5184.8	   167.8
-  29065.0000	   230.7	   198.3	 -5184.6	   167.9
-  29070.0000	   266.5	   198.4	 -5148.8	   167.9
-  29075.0000	   106.7	   198.4	 -5308.7	   167.9
-  29080.0000	   213.5	   198.4	 -5201.9	   167.9
-  29085.0000	   285.0	   198.4	 -5130.4	   168.0
-  29090.0000	   267.4	   198.5	 -5148.0	   168.0
-  29095.0000	   142.7	   198.5	 -5272.8	   168.0
-  29100.0000	   107.1	   198.5	 -5308.4	   168.1
-  29105.0000	   143.0	   198.5	 -5272.5	   168.1
-  29110.0000	   232.5	   198.6	 -5183.0	   168.1
-  29115.0000	   179.0	   198.6	 -5236.6	   168.1
-  29120.0000	   143.3	   198.6	 -5272.3	   168.2
-  29125.0000	   197.3	   198.7	 -5218.3	   168.2
-  29130.0000	   197.4	   198.7	 -5218.3	   168.2
-  29135.0000	   287.4	   198.7	 -5128.3	   168.2
-  29140.0000	   143.8	   198.7	 -5271.9	   168.3
-  29145.0000	   197.9	   198.8	 -5217.8	   168.3
-  29150.0000	   180.1	   198.8	 -5235.7	   168.3
-  29155.0000	   180.3	   198.8	 -5235.5	   168.3
-  29160.0000	   198.4	   198.8	 -5217.4	   168.4
-  29165.0000	   234.7	   198.9	 -5181.1	   168.4
-  29170.0000	   108.4	   198.9	 -5307.5	   168.4
-  29175.0000	    90.4	   198.9	 -5325.5	   168.4
-  29180.0000	   253.4	   198.9	 -5162.5	   168.5
-  29185.0000	    90.6	   199.0	 -5325.3	   168.5
-  29190.0000	   163.2	   199.0	 -5252.8	   168.5
-  29195.0000	   163.3	   199.0	 -5252.7	   168.5
-  29200.0000	   181.7	   199.0	 -5234.3	   168.6
-  29205.0000	   218.2	   199.1	 -5197.8	   168.6
-  29210.0000	   272.9	   199.1	 -5143.2	   168.6
-  29215.0000	   182.1	   199.1	 -5234.0	   168.6
-  29220.0000	   200.5	   199.1	 -5215.6	   168.7
-  29225.0000	   182.4	   199.2	 -5233.7	   168.7
-  29230.0000	   182.6	   199.2	 -5233.6	   168.7
-  29235.0000	   182.7	   199.2	 -5233.5	   168.7
-  29240.0000	   256.0	   199.2	 -5160.2	   168.8
-  29245.0000	   219.7	   199.2	 -5196.5	   168.8
-  29250.0000	   146.6	   199.3	 -5269.6	   168.8
-  29255.0000	   201.7	   199.3	 -5214.6	   168.8
-  29260.0000	   238.6	   199.3	 -5177.7	   168.9
-  29265.0000	   238.8	   199.3	 -5177.5	   168.9
-  29270.0000	   183.8	   199.4	 -5232.5	   168.9
-  29275.0000	   165.6	   199.4	 -5250.8	   168.9
-  29280.0000	   368.3	   199.4	 -5048.1	   168.9
-  29285.0000	   147.4	   199.4	 -5269.0	   169.0
-  29290.0000	   221.4	   199.5	 -5195.0	   169.0
-  29295.0000	   110.8	   199.5	 -5305.6	   169.0
-  29300.0000	   129.3	   199.5	 -5287.2	   169.0
-  29305.0000	    92.5	   199.5	 -5324.0	   169.1
-  29310.0000	   240.6	   199.5	 -5175.9	   169.1
-  29315.0000	   203.8	   199.6	 -5212.7	   169.1
-  29320.0000	   148.3	   199.6	 -5268.3	   169.1
-  29325.0000	   241.2	   199.6	 -5175.4	   169.1
-  29330.0000	   111.4	   199.6	 -5305.2	   169.2
-  29335.0000	   241.7	   199.6	 -5174.9	   169.2
-  29340.0000	    74.4	   199.7	 -5342.2	   169.2
-  29345.0000	   186.2	   199.7	 -5230.5	   169.2
-  29350.0000	   186.4	   199.7	 -5230.3	   169.2
-  29355.0000	   242.5	   199.7	 -5174.2	   169.3
-  29360.0000	   317.4	   199.7	 -5099.3	   169.3
-  29365.0000	   373.7	   199.8	 -5043.0	   169.3
-  29370.0000	   149.6	   199.8	 -5267.2	   169.3
-  29375.0000	   149.7	   199.8	 -5267.1	   169.3
-  29380.0000	    93.7	   199.8	 -5323.1	   169.4
-  29385.0000	   262.5	   199.8	 -5154.3	   169.4
-  29390.0000	   168.9	   199.9	 -5247.9	   169.4
-  29395.0000	   431.9	   199.9	 -4985.0	   169.4
-  29400.0000	   206.8	   199.9	 -5210.1	   169.4
-  29405.0000	   188.1	   199.9	 -5228.8	   169.5
-  29410.0000	   207.1	   199.9	 -5209.8	   169.5
-  29415.0000	   245.0	   199.9	 -5171.9	   169.5
-  29420.0000	   245.2	   200.0	 -5171.7	   169.5
-  29425.0000	   169.9	   200.0	 -5247.1	   169.5
-  29430.0000	   151.1	   200.0	 -5265.9	   169.5
-  29435.0000	   113.4	   200.0	 -5303.6	   169.6
-  29440.0000	   208.2	   200.0	 -5208.8	   169.6
-  29445.0000	   265.1	   200.1	 -5151.9	   169.6
-  29450.0000	   227.5	   200.1	 -5189.5	   169.6
-  29455.0000	   284.6	   200.1	 -5132.5	   169.6
-  29460.0000	   227.9	   200.1	 -5189.2	   169.6
-  29465.0000	   171.0	   200.1	 -5246.1	   169.7
-  29470.0000	   342.4	   200.1	 -5074.7	   169.7
-  29475.0000	   323.6	   200.2	 -5093.5	   169.7
-  29480.0000	   209.6	   200.2	 -5207.5	   169.7
-  29485.0000	   114.4	   200.2	 -5302.8	   169.7
-  29490.0000	   229.0	   200.2	 -5188.2	   169.7
-  29495.0000	   267.4	   200.2	 -5149.8	   169.8
-  29500.0000	   229.4	   200.2	 -5187.8	   169.8
-  29505.0000	   248.7	   200.3	 -5168.5	   169.8
-  29510.0000	   248.9	   200.3	 -5168.3	   169.8
-  29515.0000	   115.0	   200.3	 -5302.3	   169.8
-  29520.0000	   306.9	   200.3	 -5110.4	   169.8
-  29525.0000	   211.2	   200.3	 -5206.1	   169.8
-  29530.0000	   211.4	   200.3	 -5205.9	   169.9
-  29535.0000	   192.3	   200.3	 -5225.0	   169.9
-  29540.0000	   231.0	   200.4	 -5186.3	   169.9
-  29545.0000	   115.6	   200.4	 -5301.7	   169.9
-  29550.0000	   289.2	   200.4	 -5128.2	   169.9
-  29555.0000	   173.7	   200.4	 -5243.7	   169.9
-  29560.0000	   212.4	   200.4	 -5205.0	   169.9
-  29565.0000	   251.3	   200.4	 -5166.1	   170.0
-  29570.0000	   232.1	   200.4	 -5185.3	   170.0
-  29575.0000	   193.6	   200.4	 -5223.8	   170.0
-  29580.0000	   290.7	   200.5	 -5126.7	   170.0
-  29585.0000	   155.2	   200.5	 -5262.3	   170.0
-  29590.0000	    77.6	   200.5	 -5339.9	   170.0
-  29595.0000	   252.6	   200.5	 -5164.9	   170.0
-  29600.0000	   272.2	   200.5	 -5145.3	   170.1
-  29605.0000	   291.9	   200.5	 -5125.6	   170.1
-  29610.0000	   292.1	   200.5	 -5125.4	   170.1
-  29615.0000	   292.4	   200.6	 -5125.1	   170.1
-  29620.0000	   253.6	   200.6	 -5163.9	   170.1
-  29625.0000	   312.4	   200.6	 -5105.2	   170.1
-  29630.0000	   371.3	   200.6	 -5046.3	   170.1
-  29635.0000	   136.9	   200.6	 -5280.7	   170.1
-  29640.0000	   371.9	   200.6	 -5045.7	   170.1
-  29645.0000	   137.1	   200.6	 -5280.5	   170.2
-  29650.0000	   176.5	   200.6	 -5241.1	   170.2
-  29655.0000	   235.5	   200.6	 -5182.1	   170.2
-  29660.0000	   255.3	   200.7	 -5162.3	   170.2
-  29665.0000	   118.0	   200.7	 -5299.6	   170.2
-  29670.0000	   295.1	   200.7	 -5122.5	   170.2
-  29675.0000	   216.6	   200.7	 -5201.1	   170.2
-  29680.0000	   118.2	   200.7	 -5299.5	   170.2
-  29685.0000	   118.3	   200.7	 -5299.4	   170.2
-  29690.0000	   177.7	   200.7	 -5240.0	   170.3
-  29695.0000	   197.6	   200.7	 -5220.1	   170.3
-  29700.0000	   138.4	   200.7	 -5279.3	   170.3
-  29705.0000	   237.5	   200.7	 -5180.2	   170.3
-  29710.0000	   237.7	   200.7	 -5180.0	   170.3
-  29715.0000	   257.7	   200.8	 -5160.0	   170.3
-  29720.0000	   238.1	   200.8	 -5179.6	   170.3
-  29725.0000	   337.6	   200.8	 -5080.2	   170.3
-  29730.0000	   298.1	   200.8	 -5119.7	   170.3
-  29735.0000	   278.5	   200.8	 -5139.3	   170.3
-  29740.0000	   298.6	   200.8	 -5119.2	   170.3
-  29745.0000	   278.9	   200.8	 -5138.9	   170.3
-  29750.0000	   239.3	   200.8	 -5178.5	   170.4
-  29755.0000	   219.5	   200.8	 -5198.3	   170.4
-  29760.0000	   219.7	   200.8	 -5198.1	   170.4
-  29765.0000	   219.9	   200.8	 -5197.9	   170.4
-  29770.0000	   220.1	   200.8	 -5197.7	   170.4
-  29775.0000	   260.3	   200.9	 -5157.5	   170.4
-  29780.0000	   220.5	   200.9	 -5197.3	   170.4
-  29785.0000	   180.5	   200.9	 -5237.3	   170.4
-  29790.0000	   200.8	   200.9	 -5217.0	   170.4
-  29795.0000	   241.1	   200.9	 -5176.8	   170.4
-  29800.0000	   160.9	   200.9	 -5257.0	   170.4
-  29805.0000	   221.4	   200.9	 -5196.5	   170.4
-  29810.0000	   282.0	   200.9	 -5135.9	   170.4
-  29815.0000	   221.8	   200.9	 -5196.1	   170.4
-  29820.0000	   221.9	   200.9	 -5196.0	   170.4
-  29825.0000	   302.9	   200.9	 -5115.0	   170.5
-  29830.0000	   283.0	   200.9	 -5134.9	   170.5
-  29835.0000	   202.3	   200.9	 -5215.6	   170.5
-  29840.0000	   242.9	   200.9	 -5175.0	   170.5
-  29845.0000	   182.4	   200.9	 -5235.5	   170.5
-  29850.0000	   162.2	   200.9	 -5255.7	   170.5
-  29855.0000	   203.0	   200.9	 -5214.9	   170.5
-  29860.0000	   101.6	   200.9	 -5316.3	   170.5
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-   2076.6704	        	        	        	        	       0	( 19  3  3)	  0  1 :  1
-   2084.9749	        	        	        	        	       0	( 14 12  6)	  0  1 :  1
-   2084.9749	        	        	        	        	       0	( 18  6  4)	  0  1 :  1
-   2096.2029	        	        	        	        	       0	( 16 10  4)	  0  1 :  1
-   2099.0381	        	        	        	        	       0	( 13 11  9)	  0  1 :  1
-   2099.0381	        	        	        	        	       0	( 15 11  5)	  0  1 :  1
-   2099.0381	        	        	        	        	       0	( 17  9  1)	  0  1 :  1
-   2099.0381	        	        	        	        	       0	( 19  3  1)	  0  1 :  1
-   2119.2119	        	        	        	        	       0	( 18  6  2)	  0  1 :  1
-   2122.1414	        	        	        	        	       0	( 11 11 11)	  0  1 :  1
-   2122.1414	        	        	        	        	       0	( 13 13  5)	  0  1 :  1
-   2122.1414	        	        	        	        	       0	( 17  7  5)	  0  1 :  1
-   2122.1411	        	        	        	        	       0	( 19  1  1)	  0  1 :  1
-   2131.0029	        	        	        	        	       0	( 14 10  8)	  0  1 :  1
-   2131.0029	        	        	        	        	       0	( 16 10  2)	  0  1 :  1
-   2131.0029	        	        	        	        	       0	( 18  6  0)	  0  1 :  1
-   2142.9922	        	        	        	        	       0	( 14 12  4)	  0  1 :  1
-   2142.9922	        	        	        	        	       0	( 16  8  6)	  0  1 :  1
-   2142.9922	        	        	        	        	       0	( 18  4  4)	  0  1 :  1
-   2146.0212	        	        	        	        	       0	( 15  9  7)	  0  1 :  1
-   2146.0212	        	        	        	        	       0	( 15 11  3)	  0  1 :  1
-   2155.1853	        	        	        	        	       0	( 12 12  8)	  0  1 :  1
-   2170.7222	        	        	        	        	       0	( 13 13  3)	  0  1 :  1
-   2170.7222	        	        	        	        	       0	( 15 11  1)	  0  1 :  1
-   2170.7222	        	        	        	        	       0	( 17  7  3)	  0  1 :  1
-   2180.2063	        	        	        	        	       0	( 14 12  2)	  0  1 :  1
-   2180.2063	        	        	        	        	       0	( 18  4  2)	  0  1 :  1
-   2180.2061	        	        	        	        	       0	( 12 10 10)	  0  1 :  1
-   2196.2920	        	        	        	        	       0	( 13 11  7)	  0  1 :  1
-   2196.2922	        	        	        	        	       0	( 17  5  5)	  0  1 :  1
-   2196.2920	        	        	        	        	       0	( 17  7  1)	  0  1 :  1
-   2196.2920	        	        	        	        	       0	( 13 13  1)	  0  1 :  1
-   2206.1155	        	        	        	        	       0	( 16  8  4)	  0  1 :  1
-   2219.4202	        	        	        	        	       0	( 14 10  6)	  0  1 :  1
-   2219.4202	        	        	        	        	       0	( 18  2  2)	  0  1 :  1
-   2222.7837	        	        	        	        	       0	( 13  9  9)	  0  1 :  1
-   2222.7837	        	        	        	        	       0	( 15  9  5)	  0  1 :  1
-   2232.9670	        	        	        	        	       0	( 16  6  6)	  0  1 :  1
-   2232.9670	        	        	        	        	       0	( 18  2  0)	  0  1 :  1
-   2246.7642	        	        	        	        	       0	( 12 12  6)	  0  1 :  1
-   2246.7642	        	        	        	        	       0	( 14  8  8)	  0  1 :  1
-   2246.7642	        	        	        	        	       0	( 16  8  2)	  0  1 :  1
-   2250.2534	        	        	        	        	       0	( 11 11  9)	  0  1 :  1
-   2250.2534	        	        	        	        	       0	( 15  7  7)	  0  1 :  1
-   2250.2534	        	        	        	        	       0	( 17  5  3)	  0  1 :  1
-   2260.8193	        	        	        	        	       0	( 16  8  0)	  0  1 :  1
-   2278.7632	        	        	        	        	       0	( 15  9  3)	  0  1 :  1
-   2278.7632	        	        	        	        	       0	( 13 11  5)	  0  1 :  1
-   2278.7632	        	        	        	        	       0	( 17  5  1)	  0  1 :  1
-   2289.7361	        	        	        	        	       0	( 14 10  4)	  0  1 :  1
-   2304.6147	        	        	        	        	       0	( 12 10  8)	  0  1 :  1
-   2304.6147	        	        	        	        	       0	( 16  6  4)	  0  1 :  1
-   2308.3799	        	        	        	        	       0	( 15  9  1)	  0  1 :  1
-   2308.3801	        	        	        	        	       0	( 17  3  3)	  0  1 :  1
-   2319.7864	        	        	        	        	       0	( 12 12  4)	  0  1 :  1
-   2335.2605	        	        	        	        	       0	( 10 10 10)	  0  1 :  1
-   2335.2605	        	        	        	        	       0	( 14 10  2)	  0  1 :  1
-   2339.1777	        	        	        	        	       0	( 13  9  7)	  0  1 :  1
-   2339.1775	        	        	        	        	       0	( 13 11  3)	  0  1 :  1
-   2339.1775	        	        	        	        	       0	( 15  7  5)	  0  1 :  1
-   2339.1775	        	        	        	        	       0	( 17  3  1)	  0  1 :  1
-   2351.0469	        	        	        	        	       0	( 14  8  6)	  0  1 :  1
-   2351.0469	        	        	        	        	       0	( 14 10  0)	  0  1 :  1
-   2351.0469	        	        	        	        	       0	( 16  6  2)	  0  1 :  1
-   2367.1575	        	        	        	        	       0	( 12 12  2)	  0  1 :  1
-   2371.2363	        	        	        	        	       0	( 11 11  7)	  0  1 :  1
-   2371.2363	        	        	        	        	       0	( 13 11  1)	  0  1 :  1
-   2371.2363	        	        	        	        	       0	( 17  1  1)	  0  1 :  1
-   2383.6016	        	        	        	        	       0	( 12 12  0)	  0  1 :  1
-   2383.6016	        	        	        	        	       0	( 16  4  4)	  0  1 :  1
-   2404.6455	        	        	        	        	       0	( 11  9  9)	  0  1 :  1
-   2404.6455	        	        	        	        	       0	( 15  7  3)	  0  1 :  1
-   2417.5413	        	        	        	        	       0	( 12 10  6)	  0  1 :  1
-   2435.0620	        	        	        	        	       0	( 14  8  4)	  0  1 :  1
-   2435.0620	        	        	        	        	       0	( 16  4  2)	  0  1 :  1
-   2439.5017	        	        	        	        	       0	( 13  9  5)	  0  1 :  1
-   2439.5015	        	        	        	        	       0	( 15  5  5)	  0  1 :  1
-   2439.5015	        	        	        	        	       0	( 15  7  1)	  0  1 :  1
-   2452.9675	        	        	        	        	       0	( 12  8  8)	  0  1 :  1
-   2452.9675	        	        	        	        	       0	( 16  4  0)	  0  1 :  1
-   2471.2725	        	        	        	        	       0	( 14  6  6)	  0  1 :  1
-   2475.9128	        	        	        	        	       0	( 11 11  5)	  0  1 :  1
-   2475.9128	        	        	        	        	       0	( 13  7  7)	  0  1 :  1
-   2489.9919	        	        	        	        	       0	( 10 10  8)	  0  1 :  1
-   2489.9919	        	        	        	        	       0	( 14  8  2)	  0  1 :  1
-   2489.9919	        	        	        	        	       0	( 16  2  2)	  0  1 :  1
-   2509.1416	        	        	        	        	       0	( 12 10  4)	  0  1 :  1
-   2513.9980	        	        	        	        	       0	( 15  5  3)	  0  1 :  1
-   2513.9983	        	        	        	        	       0	( 13  9  3)	  0  1 :  1
-   2528.7383	        	        	        	        	       0	( 16  0  0)	  0  1 :  1
-   2553.8901	        	        	        	        	       0	( 11  9  7)	  0  1 :  1
-   2553.8901	        	        	        	        	       0	( 11 11  3)	  0  1 :  1
-   2553.8901	        	        	        	        	       0	( 13  9  1)	  0  1 :  1
-   2553.8901	        	        	        	        	       0	( 15  5  1)	  0  1 :  1
-   2569.3450	        	        	        	        	       0	( 14  6  4)	  0  1 :  1
-   2569.3450	        	        	        	        	       0	( 12 10  2)	  0  1 :  1
-   2590.3928	        	        	        	        	       0	( 12  8  6)	  0  1 :  1
-   2595.7358	        	        	        	        	       0	( 11 11  1)	  0  1 :  1
-   2595.7358	        	        	        	        	       0	( 15  3  3)	  0  1 :  1
-   2595.7361	        	        	        	        	       0	(  9  9  9)	  0  1 :  1
-   2595.7361	        	        	        	        	       0	( 13  7  5)	  0  1 :  1
-   2634.0833	        	        	        	        	       0	( 10 10  6)	  0  1 :  1
-   2634.0833	        	        	        	        	       0	( 14  6  2)	  0  1 :  1
-   2639.7009	        	        	        	        	       0	( 15  3  1)	  0  1 :  1
-   2656.7710	        	        	        	        	       0	( 14  6  0)	  0  1 :  1
-   2680.0532	        	        	        	        	       0	( 10  8  8)	  0  1 :  1
-   2680.0532	        	        	        	        	       0	( 14  4  4)	  0  1 :  1
-   2685.9695	        	        	        	        	       0	( 11  9  5)	  0  1 :  1
-   2685.9695	        	        	        	        	       0	( 13  7  3)	  0  1 :  1
-   2685.9695	        	        	        	        	       0	( 15  1  1)	  0  1 :  1
-   2703.9561	        	        	        	        	       0	( 12  8  4)	  0  1 :  1
-   2734.7512	        	        	        	        	       0	( 11  7  7)	  0  1 :  1
-   2734.7512	        	        	        	        	       0	( 13  5  5)	  0  1 :  1
-   2734.7512	        	        	        	        	       0	( 13  7  1)	  0  1 :  1
-   2753.7393	        	        	        	        	       0	( 10 10  4)	  0  1 :  1
-   2753.7393	        	        	        	        	       0	( 12  6  6)	  0  1 :  1
-   2753.7390	        	        	        	        	       0	( 14  4  2)	  0  1 :  1
-   2779.6807	        	        	        	        	       0	( 12  8  2)	  0  1 :  1
-   2786.2810	        	        	        	        	       0	(  9  9  7)	  0  1 :  1
-   2786.2810	        	        	        	        	       0	( 11  9  3)	  0  1 :  1
-   2806.3669	        	        	        	        	       0	( 12  8  0)	  0  1 :  1
-   2833.8342	        	        	        	        	       0	( 10 10  2)	  0  1 :  1
-   2833.8342	        	        	        	        	       0	( 14  2  2)	  0  1 :  1
-   2840.8274	        	        	        	        	       0	( 11  9  1)	  0  1 :  1
-   2840.8276	        	        	        	        	       0	( 13  5  3)	  0  1 :  1
-   2862.1216	        	        	        	        	       0	( 10  8  6)	  0  1 :  1
-   2862.1216	        	        	        	        	       0	( 10 10  0)	  0  1 :  1
-   2862.1216	        	        	        	        	       0	( 14  2  0)	  0  1 :  1
-   2891.2705	        	        	        	        	       0	( 12  6  4)	  0  1 :  1
-   2898.6973	        	        	        	        	       0	( 11  7  5)	  0  1 :  1
-   2898.6973	        	        	        	        	       0	( 13  5  1)	  0  1 :  1
-   2921.3254	        	        	        	        	       0	(  8  8  8)	  0  1 :  1
-   2960.2415	        	        	        	        	       0	(  9  9  5)	  0  1 :  1
-   2960.2415	        	        	        	        	       0	( 13  3  3)	  0  1 :  1
-   2984.3491	        	        	        	        	       0	( 12  6  2)	  0  1 :  1
-   3017.4250	        	        	        	        	       0	( 10  8  4)	  0  1 :  1
-   3025.8667	        	        	        	        	       0	(  9  7  7)	  0  1 :  1
-   3025.8667	        	        	        	        	       0	( 11  7  3)	  0  1 :  1
-   3025.8672	        	        	        	        	       0	( 13  3  1)	  0  1 :  1
-   3051.6226	        	        	        	        	       0	( 12  4  4)	  0  1 :  1
-   3087.0054	        	        	        	        	       0	( 10  6  6)	  0  1 :  1
-   3096.0452	        	        	        	        	       0	(  9  9  3)	  0  1 :  1
-   3096.0447	        	        	        	        	       0	( 11  5  5)	  0  1 :  1
-   3096.0447	        	        	        	        	       0	( 11  7  1)	  0  1 :  1
-   3096.0452	        	        	        	        	       0	( 13  1  1)	  0  1 :  1
-   3123.6448	        	        	        	        	       0	( 10  8  2)	  0  1 :  1
-   3161.6165	        	        	        	        	       0	(  8  8  6)	  0  1 :  1
-   3161.6167	        	        	        	        	       0	( 12  4  2)	  0  1 :  1
-   3171.3274	        	        	        	        	       0	(  9  9  1)	  0  1 :  1
-   3201.0037	        	        	        	        	       0	( 12  4  0)	  0  1 :  1
-   3252.3657	        	        	        	        	       0	(  9  7  5)	  0  1 :  1
-   3252.3657	        	        	        	        	       0	( 11  5  3)	  0  1 :  1
-   3284.3916	        	        	        	        	       0	( 10  6  4)	  0  1 :  1
-   3284.3916	        	        	        	        	       0	( 12  2  2)	  0  1 :  1
-   3339.9314	        	        	        	        	       0	(  7  7  7)	  0  1 :  1
-   3339.9314	        	        	        	        	       0	( 11  5  1)	  0  1 :  1
-   3374.6350	        	        	        	        	       0	(  8  8  4)	  0  1 :  1
-   3374.6350	        	        	        	        	       0	( 12  0  0)	  0  1 :  1
-   3422.6304	        	        	        	        	       0	( 10  6  2)	  0  1 :  1
-   3434.9517	        	        	        	        	       0	( 11  3  3)	  0  1 :  1
-   3434.9517	        	        	        	        	       0	(  9  7  3)	  0  1 :  1
-   3472.7275	        	        	        	        	       0	(  8  6  6)	  0  1 :  1
-   3472.7275	        	        	        	        	       0	( 10  6  0)	  0  1 :  1
-   3525.0852	        	        	        	        	       0	(  8  8  2)	  0  1 :  1
-   3525.0852	        	        	        	        	       0	( 10  4  4)	  0  1 :  1
-   3538.5479	        	        	        	        	       0	(  9  5  5)	  0  1 :  1
-   3538.5479	        	        	        	        	       0	(  9  7  1)	  0  1 :  1
-   3538.5479	        	        	        	        	       0	( 11  3  1)	  0  1 :  1
-   3579.8779	        	        	        	        	       0	(  8  8  0)	  0  1 :  1
-   3652.0923	        	        	        	        	       0	(  7  7  5)	  0  1 :  1
-   3652.0923	        	        	        	        	       0	( 11  1  1)	  0  1 :  1
-   3697.5710	        	        	        	        	       0	( 10  4  2)	  0  1 :  1
-   3760.9329	        	        	        	        	       0	(  8  6  4)	  0  1 :  1
-   3777.2874	        	        	        	        	       0	(  9  5  3)	  0  1 :  1
-   3898.0579	        	        	        	        	       0	( 10  2  2)	  0  1 :  1
-   3898.0579	        	        	        	        	       0	(  6  6  6)	  0  1 :  1
-   3916.2717	        	        	        	        	       0	(  7  7  3)	  0  1 :  1
-   3916.2717	        	        	        	        	       0	(  9  5  1)	  0  1 :  1
-   3972.4802	        	        	        	        	       0	(  8  6  2)	  0  1 :  1
-   3972.4802	        	        	        	        	       0	( 10  2  0)	  0  1 :  1
-   4071.7773	        	        	        	        	       0	(  7  5  5)	  0  1 :  1
-   4071.7773	        	        	        	        	       0	(  7  7  1)	  0  1 :  1
-   4071.7773	        	        	        	        	       0	(  9  3  3)	  0  1 :  1
-   4135.0449	        	        	        	        	       0	(  8  4  4)	  0  1 :  1
-   4247.3618	        	        	        	        	       0	(  9  3  1)	  0  1 :  1
-   4319.3003	        	        	        	        	       0	(  6  6  4)	  0  1 :  1
-   4421.1484	        	        	        	        	       0	(  8  4  2)	  0  1 :  1
-   4447.7544	        	        	        	        	       0	(  7  5  3)	  0  1 :  1
-   4447.7544	        	        	        	        	       0	(  9  1  1)	  0  1 :  1
-   4530.5425	        	        	        	        	       0	(  8  4  0)	  0  1 :  1
-   4648.4614	        	        	        	        	       0	(  6  6  2)	  0  1 :  1
-   4679.4058	        	        	        	        	       0	(  5  5  5)	  0  1 :  1
-   4679.4058	        	        	        	        	       0	(  7  5  1)	  0  1 :  1
-   4776.0752	        	        	        	        	       0	(  6  6  0)	  0  1 :  1
-   4776.0752	        	        	        	        	       0	(  8  2  2)	  0  1 :  1
-   4914.7886	        	        	        	        	       0	(  6  4  4)	  0  1 :  1
-   4951.3936	        	        	        	        	       0	(  7  3  3)	  0  1 :  1
-   5066.3096	        	        	        	        	       0	(  8  0  0)	  0  1 :  1
-   5276.9692	        	        	        	        	       0	(  5  5  3)	  0  1 :  1
-   5276.9692	        	        	        	        	       0	(  7  3  1)	  0  1 :  1
-   5416.6943	        	        	        	        	       0	(  6  4  2)	  0  1 :  1
-   5676.4106	        	        	        	        	       0	(  5  5  1)	  0  1 :  1
-   5676.4106	        	        	        	        	       0	(  7  1  1)	  0  1 :  1
-   5851.3652	        	        	        	        	       0	(  4  4  4)	  0  1 :  1
-   6111.9165	        	        	        	        	       0	(  6  2  2)	  0  1 :  1
-   6182.6704	        	        	        	        	       0	(  5  3  3)	  0  1 :  1
-   6410.6274	        	        	        	        	       0	(  6  2  0)	  0  1 :  1
-   6757.8267	        	        	        	        	       0	(  4  4  2)	  0  1 :  1
-   6853.7993	        	        	        	        	       0	(  5  3  1)	  0  1 :  1
-   7168.2339	        	        	        	        	       0	(  4  4  0)	  0  1 :  1
-   7804.4624	        	        	        	        	       0	(  5  1  1)	  0  1 :  1
-   7804.4624	        	        	        	        	       0	(  3  3  3)	  0  1 :  1
-   8278.3311	        	        	        	        	       0	(  4  2  2)	  0  1 :  1
-   9304.9150	        	        	        	        	       0	(  3  3  1)	  0  1 :  1
-  10140.3867	        	        	        	        	       0	(  4  0  0)	  0  1 :  1
-  11710.0254	        	        	        	        	       0	(  2  2  2)	  0  1 :  1
-  12230.9561	        	        	        	        	       0	(  3  1  1)	  0  1 :  1
-  14342.8164	        	        	        	        	       0	(  2  2  0)	  0  1 :  1
-  23421.6680	        	        	        	        	       0	(  1  1  1)	  0  1 :  1
+ T.O.F.	Yobs	Ycal	Yobs-Ycal	Backg	Bragg	Posr	(hkl)	K
+   2000.0000	   213.8	   219.2	 -5216.8	   184.7	   1626.9485	       0	( 18 16  6)	  0  1
+   2005.0000	   213.8	   216.7	 -5219.7	   184.6	   1626.9485	       0	( 24  6  2)	  0  1
+   2010.0000	   210.1	   215.9	 -5222.6	   184.5	   1632.2863	       0	( 16 16 10)	  0  1
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+  29680.0000	   118.2	   200.7	 -5299.3	   170.2
+  29685.0000	   118.3	   200.7	 -5299.2	   170.2
+  29690.0000	   177.7	   200.7	 -5239.8	   170.3
+  29695.0000	   197.6	   200.7	 -5219.9	   170.3
+  29700.0000	   138.4	   200.7	 -5279.1	   170.3
+  29705.0000	   237.5	   200.7	 -5180.0	   170.3
+  29710.0000	   237.7	   200.7	 -5179.9	   170.3
+  29715.0000	   257.7	   200.8	 -5159.9	   170.3
+  29720.0000	   238.1	   200.8	 -5179.5	   170.3
+  29725.0000	   337.6	   200.8	 -5080.0	   170.3
+  29730.0000	   298.1	   200.8	 -5119.5	   170.3
+  29735.0000	   278.5	   200.8	 -5139.1	   170.3
+  29740.0000	   298.6	   200.8	 -5119.0	   170.3
+  29745.0000	   278.9	   200.8	 -5138.7	   170.3
+  29750.0000	   239.3	   200.8	 -5178.3	   170.4
+  29755.0000	   219.5	   200.8	 -5198.1	   170.4
+  29760.0000	   219.7	   200.8	 -5197.9	   170.4
+  29765.0000	   219.9	   200.8	 -5197.7	   170.4
+  29770.0000	   220.1	   200.8	 -5197.5	   170.4
+  29775.0000	   260.3	   200.9	 -5157.4	   170.4
+  29780.0000	   220.5	   200.9	 -5197.2	   170.4
+  29785.0000	   180.5	   200.9	 -5237.2	   170.4
+  29790.0000	   200.8	   200.9	 -5216.9	   170.4
+  29795.0000	   241.1	   200.9	 -5176.6	   170.4
+  29800.0000	   160.9	   200.9	 -5256.8	   170.4
+  29805.0000	   221.4	   200.9	 -5196.3	   170.4
+  29810.0000	   282.0	   200.9	 -5135.7	   170.4
+  29815.0000	   221.8	   200.9	 -5195.9	   170.4
+  29820.0000	   221.9	   200.9	 -5195.8	   170.4
+  29825.0000	   302.9	   200.9	 -5114.8	   170.5
+  29830.0000	   283.0	   200.9	 -5134.7	   170.5
+  29835.0000	   202.3	   200.9	 -5215.4	   170.5
+  29840.0000	   242.9	   200.9	 -5174.8	   170.5
+  29845.0000	   182.4	   200.9	 -5235.3	   170.5
+  29850.0000	   162.2	   200.9	 -5255.5	   170.5
+  29855.0000	   203.0	   200.9	 -5214.7	   170.5
+  29860.0000	   101.6	   200.9	 -5316.1	   170.5
+  29865.0000	   162.6	   201.0	 -5255.2	   170.5
+  29870.0000	   305.2	   201.0	 -5112.6	   170.5
+  29875.0000	   305.5	   201.0	 -5112.3	   170.5
+  29880.0000	   265.0	   201.0	 -5152.8	   170.5
+  29885.0000	   122.4	   201.0	 -5295.4	   170.5
+  29890.0000	    81.7	   201.0	 -5336.1	   170.5
+  29895.0000	   306.5	   201.0	 -5111.3	   170.5
+  29900.0000	   245.4	   201.0	 -5172.4	   170.5
+  29905.0000	   307.0	   201.0	 -5110.8	   170.5
+  29910.0000	   286.8	   201.0	 -5131.0	   170.5
+  29915.0000	   164.0	   201.0	 -5253.8	   170.5
+  29920.0000	   184.7	   201.0	 -5233.1	   170.5
+  29925.0000	   225.9	   201.0	 -5191.9	   170.5
+  29930.0000	   185.0	   201.0	 -5232.8	   170.5
+  29935.0000	   288.0	   201.0	 -5129.8	   170.5
+  29940.0000	   205.9	   201.0	 -5211.9	   170.5
+  29945.0000	   185.4	   201.0	 -5232.4	   170.5
+  29950.0000	   247.5	   201.0	 -5170.3	   170.5
+  29955.0000	   206.4	   201.0	 -5211.4	   170.5
+  29960.0000	   247.9	   201.0	 -5169.9	   170.5
+  29965.0000	   227.4	   201.0	 -5190.4	   170.5
+  29970.0000	   165.5	   201.0	 -5252.3	   170.5
+  29975.0000	   186.4	   201.0	 -5231.4	   170.5
+  29980.0000	   269.4	   201.0	 -5148.4	   170.5
+  29985.0000	   186.7	   201.0	 -5231.1	   170.5
+  29990.0000	   166.1	   201.0	 -5251.7	   170.5
+  29995.0000	   249.3	   201.0	 -5168.5	   170.5
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.rpa b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.rpa
index a9734e2c8..2a7fb5166 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.rpa
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.rpa
@@ -253,3 +253,258 @@ RFBC   5.945      9.356      4.112      5.177        1852
 DEVB   4192.      2.262      1.745      1.871    
 BRAG1    2.041   12.697     160.222     100.000  129420.289       1.000
 --------------------------------------------------------------------------------
+TITL   Backscattering Bank (2theta= 144.845)  Si- Argonne
+FILES => PCR-file : arg_si
+FILES => DAT-files: arg_si                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          
+DATE & TIME     Date: 09/06/2026  Time: 00:23:32.567                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1    -1       9       4       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       1       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0     3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   12     1     1     1     2     0     0
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     0
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    3    12     1     2     0
+PHAS1 Standard-Si                   
+SPGR F d -3 m            
+NATM    1
+COND    0   0   0   0
+ATOM Si       0.12500   0.12500   0.12500   0.52448   1.00000  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00504   0.00000
+CELL    5.43134   5.43134   5.43134  90.00000  90.00000  90.00000
+SIGM    0.00005   0.00005   0.00005   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    0.675090969   0.002278261
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0000   0.0000  33.0418   0.8365   3.5546   0.4641
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0422   0.0000   0.5971   0.0000   0.0095   0.0000
+XYPA    0.0000   0.0000   0.0000   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -9.18779   0.06908
+BACK    152.7       1.429       37.24       12.11       19.18       3.348    
+SIGM   0.7277       1.272       1.115       1.025      0.9996      0.8315    
+BACK    8.737       0.000       0.000       0.000       0.000       0.000    
+SIGM   0.5788       0.000       0.000       0.000       0.000       0.000    
+RFAR   8.167      5.976      3.657      2.670    
+RFAC   18.50      11.64      7.124      2.670        5586
+DEVA  0.2776E+05  4.965      1.122      1.922    
+RFBR   4.141      5.137      2.257      5.178    
+RFBC   5.944      9.357      4.112      5.178        1852
+DEVB   4192.      2.262      1.745      1.871    
+BRAG1    2.041   12.697     160.222     100.000  129420.289       1.000
+--------------------------------------------------------------------------------
+TITL   Backscattering Bank (2theta= 144.845)  Si- Argonne
+FILES => PCR-file : arg_si
+FILES => DAT-files: arg_si                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          
+DATE & TIME     Date: 09/06/2026  Time: 00:25:31.883                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1    -1       9       4       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       1       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0     3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   12     1     1     1     2     0     0
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     0
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3    3    12     1     2     0
+PHAS1 Standard-Si                   
+SPGR F d -3 m            
+NATM    1
+COND    0   0   0   0
+ATOM Si       0.12500   0.12500   0.12500   0.52448   1.00000  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00504   0.00000
+CELL    5.43134   5.43134   5.43134  90.00000  90.00000  90.00000
+SIGM    0.00005   0.00005   0.00005   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    0.675087273   0.002278055
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0000   0.0000  33.0419   0.8364   3.5545   0.4641
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0422   0.0000   0.5971   0.0000   0.0095   0.0000
+XYPA    0.0000   0.0000   0.0000   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -9.18753   0.06908
+BACK    152.7       1.429       37.24       12.11       19.18       3.348    
+SIGM   0.7276       1.272       1.115       1.025      0.9995      0.8315    
+BACK    8.737       0.000       0.000       0.000       0.000       0.000    
+SIGM   0.5788       0.000       0.000       0.000       0.000       0.000    
+RFAR   8.167      5.975      3.657      2.669    
+RFAC   18.50      11.64      7.124      2.669        5586
+DEVA  0.2776E+05  4.965      1.122      1.922    
+RFBR   4.141      5.136      2.257      5.177    
+RFBC   5.944      9.356      4.112      5.177        1852
+DEVB   4192.      2.262      1.745      1.871    
+BRAG1    2.041   12.697     160.222     100.000  129420.289       1.000
+--------------------------------------------------------------------------------
+TITL   Backscattering Bank (2theta= 144.845)  Si- Argonne
+FILES => PCR-file : arg_si
+FILES => DAT-files: arg_si                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          
+DATE & TIME     Date: 09/06/2026  Time: 00:26:08.450                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1    -1       9       4       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       1       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0    -3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   12     1     1     1     2     0     0
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     0
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3   -3    12     1     2     0
+PHAS1 Standard-Si                   
+SPGR F d -3 m            
+NATM    1
+COND    0   0   0   0
+ATOM Si       0.12500   0.12500   0.12500   0.52448   1.00000  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00504   0.00000
+CELL    5.43134   5.43134   5.43134  90.00000  90.00000  90.00000
+SIGM    0.00005   0.00005   0.00005   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    0.675085008   0.002278178
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0000   0.0000  33.0419   0.8365   3.5544   0.4641
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0422   0.0000   0.5971   0.0000   0.0095   0.0000
+XYPA    0.0000   0.0000   0.0000   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -9.18766   0.06908
+BACK    152.7       1.429       37.24       12.11       19.18       3.348    
+SIGM   0.7277       1.272       1.115       1.025      0.9995      0.8315    
+BACK    8.737       0.000       0.000       0.000       0.000       0.000    
+SIGM   0.5788       0.000       0.000       0.000       0.000       0.000    
+RFAR   8.167      5.976      3.657      2.669    
+RFAC   18.50      11.64      7.124      2.669        5586
+DEVA  0.2776E+05  4.965      1.122      1.922    
+RFBR   4.141      5.136      2.257      5.177    
+RFBC   5.944      9.356      4.112      5.177        1852
+DEVB   4192.      2.262      1.745      1.871    
+BRAG1    2.041   12.696     160.222     100.000  129420.289       1.000
+--------------------------------------------------------------------------------
+TITL   Backscattering Bank (2theta= 144.845)  Si- Argonne
+FILES => PCR-file : arg_si
+FILES => DAT-files: arg_si                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          
+DATE & TIME     Date: 09/06/2026  Time: 12:34:11.691                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1    -1       9       4       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       1       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0    -3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   12     1     1     1     2     0     0
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     0
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3   -3    12     1     2     0
+PHAS1 Standard-Si                   
+SPGR F d -3 m            
+NATM    1
+COND    0   0   0   0
+ATOM Si       0.12500   0.12500   0.12500   0.52448   1.00000  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00404   0.00000
+CELL    5.43134   5.43134   5.43134  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    0.675084710   0.002057494
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0000   0.0000  33.0419   0.0000   3.5544   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0422   0.0000   0.5971   0.0000   0.0095   0.0000
+XYPA    0.0000   0.0000   0.0000   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -9.18766   0.00000
+BACK    152.7       1.429       37.24       12.11       19.18       3.348    
+SIGM    0.000       0.000       0.000       0.000       0.000       0.000    
+BACK    8.737       0.000       0.000       0.000       0.000       0.000    
+SIGM    0.000       0.000       0.000       0.000       0.000       0.000    
+RFAR   8.167      5.976      3.661      2.664    
+RFAC   18.50      11.64      7.132      2.664        5598
+DEVA  0.2776E+05  4.954      1.122      1.918    
+RFBR   4.141      5.137      2.265      5.144    
+RFBC   5.944      9.357      4.125      5.144        1864
+DEVB   4192.      2.247      1.745      1.858    
+BRAG1    2.041   12.696     160.222     100.000  129420.289       1.000
+--------------------------------------------------------------------------------
+TITL   Backscattering Bank (2theta= 144.845)  Si- Argonne
+FILES => PCR-file : arg_si
+FILES => DAT-files: arg_si                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                                          
+DATE & TIME     Date: 09/06/2026  Time: 12:42:03.874                              
+REM   NPHASE    IDUM   IASG    NRELL   ICRYG 
+GLB1     1       0       0       0       0
+REM   JOBTYP   NPROF  NBCKGD   NEXCRG   NSCAT   NORI
+GLB1    -1       9       4       2       0       0
+REM    IWGT    ILOR   IRESO    ISTEP    IXUNIT  ICORR 
+GLB2     0       0       0       0       1       0
+REM   IOT   IPL   IPC   MAT   NXT  lst1  lst2  lst3  NLIN  PL_PRF
+OUT1    2     0     1     0     1     0     4     0     0    -3
+REM   instr  JCIL  JSY  jlkh  jfou ISHOR ianaly
+OUT2   12     1     1     1     2     0     0
+REM    MAT   NXT   NLIN  JCIL  JSY  ISHOR 
+OUT1    0     1     0     1     1     0
+REM    IOT   IPL   IPC  LST1  LST2  LST3  
+OUT2    2     0     1     0     4     0
+REM  PL_PRF INSTR  JLKH JFOU  IANALY
+OUT3   -3    12     1     2     0
+PHAS1 Standard-Si                   
+SPGR F d -3 m            
+NATM    1
+COND    0   0   0   0
+ATOM Si       0.12500   0.12500   0.12500   0.52448   1.00000  0  0    0
+SIGM        0.00000   0.00000   0.00000   0.00000   0.00000
+CELL    5.43134   5.43134   5.43134  90.00000  90.00000  90.00000
+SIGM    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+NNVK     0
+SCAL    0.675084710   0.000000000
+SHAP   0.00000  0.00000
+BOVE    0.0000   0.0000
+HUVW    0.0000   0.0000  33.0419   0.0000   3.5544   0.0000
+PREF    0.0000   0.0000   0.0000   0.0000
+ASYM    0.0000   0.0000   0.0422   0.0000   0.5971   0.0000   0.0095   0.0000
+XYPA    0.0000   0.0000   0.0000   0.0000
+STRA    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
+SIZE    0.0000   0.0000   0.0000   0.0000
+ZERO   -9.18766   0.00000
+BACK    152.7       1.429       37.24       12.11       19.18       3.348    
+SIGM    0.000       0.000       0.000       0.000       0.000       0.000    
+BACK    8.737       0.000       0.000       0.000       0.000       0.000    
+SIGM    0.000       0.000       0.000       0.000       0.000       0.000    
+RFAR   8.167      5.976      3.662      2.663    
+RFAC   18.50      11.64      7.133      2.663        5600
+DEVA  0.2776E+05  4.952      1.122      1.917    
+RFBR   4.141      5.137      2.266      5.139    
+RFBC   5.944      9.357      4.128      5.139        1866
+DEVB   4192.      2.245      1.745      1.856    
+BRAG1    2.041   12.696     160.222     100.000  129420.289       1.000
+--------------------------------------------------------------------------------
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.sum b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.sum
index 166d721e8..3b3b26f77 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.sum
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.sum
@@ -1,17 +1,17 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 06/06/2026  Time: 23:10:47.635                              
+    Date: 09/06/2026  Time: 12:42:03.874                              
 
  => PCR file code: arg_si
- => DAT file code: arg_si.dat           -> Relative contribution: 1.0000                                                            
+ => DAT file code: arg_si               -> Relative contribution: 1.0000                                                            
  => Title:  Backscattering Bank (2theta= 144.845)  Si- Argonne
 
  ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
@@ -30,12 +30,12 @@
  =>-------> Pattern#  1
  => Crystal Structure Refinement for phase: 1
  => The density (volumic mass) of phase 1 is:    2.329 g/cm3
- => Scor: 1.9644
+ => Scor: 1.9643
 
  ==> RESULTS OF REFINEMENT:
 
 
- => No. of fitted parameters:   14
+ => No. of fitted parameters:    0
 
 
 ------------------------------------------------------------------------------
@@ -48,26 +48,26 @@
  ==> ATOM PARAMETERS:
 
   Name      x     sx       y     sy       z      sz      B   sB   occ. socc.  Mult
- Si      0.12500(   0)  0.12500(   0)  0.12500(   0)  0.524(  5)  1.000(  0)    8
+ Si      0.12500(   0)  0.12500(   0)  0.12500(   0)  0.524(  0)  1.000(  0)    8
 
  ==> PROFILE PARAMETERS FOR PATTERN#  1
 
  => Cell parameters      :
-                              5.43134   0.00005
-                              5.43134   0.00005
-                              5.43134   0.00005
+                              5.43134   0.00000
+                              5.43134   0.00000
+                              5.43134   0.00000
                              90.00000   0.00000
                              90.00000   0.00000
                              90.00000   0.00000
  
 
- => Overall scale factor       :      0.675098777     0.002278208
+ => Overall scale factor       :      0.675084710     0.000000000
  => T.O.F. Extinction parameter:     0.000000    0.000000
  => Overall temperature  factor:     0.000000    0.000000
  => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0: 
          0.000000    0.000000
-        33.041843    0.836443
-         3.554263    0.464078
+        33.041901    0.000000
+         3.554400    0.000000
 
  => T.O.F. Gaussian variance Sig-Q:     0.000000    0.000000
  => T.O.F. Isotropic Gaussian Strain parameter (G-strain):      0.00000     0.00000
@@ -75,7 +75,7 @@
  => T.O.F. Anisotropic Lorentzian  Size  parameter (Ani-LorSize):      0.00000     0.00000
  => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0: 
          0.000000    0.000000
-         2.543094    0.093180
+         2.543000    0.000000
          0.000000    0.000000
 
  => T.O.F. Lorentzian strain and size parameters (LStr,LSiz): 
@@ -83,9 +83,9 @@
          0.000000    0.000000
 
  => Direct cell parameters: 
-        5.431342    0.000049
-        5.431342    0.000049
-        5.431342    0.000049
+        5.431342    0.000000
+        5.431342    0.000000
+        5.431342    0.000000
        90.000000    0.000000
        90.000000    0.000000
        90.000000    0.000000
@@ -102,23 +102,23 @@
 
 
  => Absorption parameters: 
-                              0.00000   0.00000
-                              0.00000   0.00000
+                              0.00000       0.00000    
+                              0.00000       0.00000    
 
 
 
  ==> GLOBAL PARAMETERS FOR PATTERN#  1
 
 
- => Zero-point:    -9.1877    0.0691
+ => Zero-point:    -9.1877    0.0000
  => Cosine Fourier Background Parameters ==>
-                               152.74     0.72766    
-                               1.4300      1.2722    
-                               37.243      1.1148    
-                               12.115      1.0251    
-                               19.181     0.99952    
-                               3.3484     0.83150    
-                               8.7367     0.57882    
+                               152.74      0.0000    
+                               1.4290      0.0000    
+                               37.243      0.0000    
+                               12.115      0.0000    
+                               19.181      0.0000    
+                               3.3480      0.0000    
+                               8.7370      0.0000    
                                0.0000      0.0000    
                                0.0000      0.0000    
                                0.0000      0.0000    
@@ -139,38 +139,38 @@
  ==> RELIABILITY FACTORS WITH ALL NON-EXCLUDED POINTS FOR PATTERN:  1
 
   => Cycle:  1 => MaxCycle: 15
- => N-P+C:  5586
+ => N-P+C:  5600
  =>  R-factors (not corrected for background) for Pattern:  1
- => Rp:  8.17     Rwp:  5.98     Rexp:    3.66 Chi2:  2.67      L.S. refinement
+ => Rp:  8.17     Rwp:  5.98     Rexp:    3.66 Chi2:  2.66      L.S. refinement
  => Conventional Rietveld R-factors for Pattern:  1
- => Rp:  18.5     Rwp:  11.6     Rexp:    7.12 Chi2:  2.67    
- => Deviance:  0.278E+05     Dev*  :   4.965    
- => DW-Stat.:    1.1222     DW-exp:     1.9221
- => N-sigma of the GoF:       88.226
+ => Rp:  18.5     Rwp:  11.6     Rexp:    7.13 Chi2:  2.66    
+ => Deviance:  0.278E+05     Dev*  :   4.952    
+ => DW-Stat.:    1.1222     DW-exp:     1.9171
+ => N-sigma of the GoF:       87.990
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
- => N-P+C:  1852
+ => N-P+C:  1866
  =>  R-factors (not corrected for background) for Pattern:  1
- => Rp:  4.14     Rwp:  5.14     Rexp:    2.26 Chi2:  5.18      L.S. refinement
+ => Rp:  4.14     Rwp:  5.14     Rexp:    2.27 Chi2:  5.14      L.S. refinement
  => Conventional Rietveld R-factors for Pattern:  1
- => Rp:  5.94     Rwp:  9.36     Rexp:    4.11 Chi2:  5.18    
- => Deviance:  0.419E+04     Dev*  :   2.262    
- => DW-Stat.:    1.7451     DW-exp:     1.8710
- => N-sigma of the GoF:      127.120
+ => Rp:  5.94     Rwp:  9.36     Rexp:    4.13 Chi2:  5.14    
+ => Deviance:  0.419E+04     Dev*  :   2.245    
+ => DW-Stat.:    1.7451     DW-exp:     1.8559
+ => N-sigma of the GoF:      126.424
 
- => Global user-weigthed Chi2 (Bragg contrib.):   8.05    
+ => Global user-weigthed Chi2 (Bragg contrib.):   7.99    
 
      -----------------------------------------------------
      BRAGG R-Factors and weight fractions for Pattern #  1
      -----------------------------------------------------
 
  => Phase:  1     Standard-Si
- => Bragg R-factor:   2.04       Vol:  160.222( 0.003)  Fract(%):  100.00( 0.48)
+ => Bragg R-factor:   2.04       Vol:  160.222( 0.000)  Fract(%):  100.00( 0.00)
  => Rf-factor=  12.7             ATZ:      129420.289   Brindley:  1.0000
 
  
-              CPU Time:     7.414 seconds
-                            0.124 minutes
+              CPU Time:     0.352 seconds
+                            0.006 minutes
 
- => Run finished at:     Date: 06/06/2026  Time: 23:10:55.046                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:04.228                              
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.sym b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.sym
index 9e3e6a8ac..cd833abff 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.sym
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si.sym
@@ -304,29 +304,29 @@
 
   -> Information on Atom: Si     at position:    0.12500   0.12500   0.12500  Multiplicity:   8
      List of symmetry operators and symmetry elements of the site point group:
-     Operator  2:  x,-y+1/4,-z+1/4               2 x,1/8,1/8
-     Operator  3:  -x+1/4,y,-z+1/4               2 1/8,y,1/8
-     Operator  4:  -x+1/4,-y+1/4,z               2 1/8,1/8,z
-     Operator  5:  y,z,x                         3- x,x,x  
-     Operator  6:  -y+1/4,-z+1/4,x               3+ x,-x+1/4,x
-     Operator  7:  y,-z+1/4,-x+1/4               3+ x,x,-x+1/4
-     Operator  8:  -y+1/4,z,-x+1/4               3- x,-x+1/4,-x+1/4
-     Operator  9:  z,x,y                         3+ x,x,x  
-     Operator 10:  -z+1/4,x,-y+1/4               3- x,x,-x+1/4
-     Operator 11:  -z+1/4,-x+1/4,y               3+ x,-x+1/4,-x+1/4
-     Operator 12:  z,-x+1/4,-y+1/4               3- x,-x+1/4,x
-     Operator 13:  y,x,z                         m x,x,z   
-     Operator 14:  -y+1/4,x,-z+1/4               -4- 1/8,1/8,z; 1/8,1/8,1/8
-     Operator 15:  y,-x+1/4,-z+1/4               -4+ 1/8,1/8,z; 1/8,1/8,1/8
-     Operator 16:  -y+1/4,-x+1/4,z               m x,-x+1/4,z
-     Operator 17:  z,y,x                         m x,y,x   
-     Operator 18:  -z+1/4,-y+1/4,x               -4+ 1/8,y,1/8; 1/8,1/8,1/8
-     Operator 19:  -z+1/4,y,-x+1/4               m x,y,-x+1/4
-     Operator 20:  z,-y+1/4,-x+1/4               -4- 1/8,y,1/8; 1/8,1/8,1/8
-     Operator 21:  x,z,y                         m x,y,y   
-     Operator 22:  x,-z+1/4,-y+1/4               m x,y,-y+1/4
-     Operator 23:  -x+1/4,-z+1/4,y               -4- x,1/8,1/8; 1/8,1/8,1/8
-     Operator 24:  -x+1/4,z,-y+1/4               -4+ x,1/8,1/8; 1/8,1/8,1/8
+     Operator  2:  x,-y+1/4,-z+1/4               2 x,1/8,1/8                                       
+     Operator  3:  -x+1/4,y,-z+1/4               2 1/8,y,1/8                                       
+     Operator  4:  -x+1/4,-y+1/4,z               2 1/8,1/8,z                                       
+     Operator  5:  y,z,x                         3- x,x,x                                          
+     Operator  6:  -y+1/4,-z+1/4,x               3+ x,-x+1/4,x                                     
+     Operator  7:  y,-z+1/4,-x+1/4               3+ x,x,-x+1/4                                     
+     Operator  8:  -y+1/4,z,-x+1/4               3- x,-x+1/4,-x+1/4                                
+     Operator  9:  z,x,y                         3+ x,x,x                                          
+     Operator 10:  -z+1/4,x,-y+1/4               3- x,x,-x+1/4                                     
+     Operator 11:  -z+1/4,-x+1/4,y               3+ x,-x+1/4,-x+1/4                                
+     Operator 12:  z,-x+1/4,-y+1/4               3- x,-x+1/4,x                                     
+     Operator 13:  y,x,z                         m x,x,z                                           
+     Operator 14:  -y+1/4,x,-z+1/4               -4- 1/8,1/8,z; 1/8,1/8,1/8                        
+     Operator 15:  y,-x+1/4,-z+1/4               -4+ 1/8,1/8,z; 1/8,1/8,1/8                        
+     Operator 16:  -y+1/4,-x+1/4,z               m x,-x+1/4,z                                      
+     Operator 17:  z,y,x                         m x,y,x                                           
+     Operator 18:  -z+1/4,-y+1/4,x               -4+ 1/8,y,1/8; 1/8,1/8,1/8                        
+     Operator 19:  -z+1/4,y,-x+1/4               m x,y,-x+1/4                                      
+     Operator 20:  z,-y+1/4,-x+1/4               -4- 1/8,y,1/8; 1/8,1/8,1/8                        
+     Operator 21:  x,z,y                         m x,y,y                                           
+     Operator 22:  x,-z+1/4,-y+1/4               m x,y,-y+1/4                                      
+     Operator 23:  -x+1/4,-z+1/4,y               -4- x,1/8,1/8; 1/8,1/8,1/8                        
+     Operator 24:  -x+1/4,z,-y+1/4               -4+ x,1/8,1/8; 1/8,1/8,1/8                        
      Codes for atom coordinates  (Automatic Constraints):        0.00        0.00        0.00
      Codes for anisotropic betas (Automatic Constraints):        0.00        0.00        0.00        0.00        0.00        0.00
 
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si1.sub b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si1.sub
index 1e04d9655..e7bef243c 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si1.sub
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_si/arg_si1.sub
@@ -1,4 +1,4 @@
- 2009.1877  5.00000030004.1875   ! Phase No:   1 Standard-Si                   
+ 2009.1876  5.00000030004.1875   ! Phase No:   1 Standard-Si                   
        4       2       1       2       3       1       3       9       9       6
        2       7       3       2       1       4       4      12       3       4
       12       2       0       0       6       7      17       7       1       7
@@ -15,7 +15,7 @@
        3      17      18       3       1       1       8      53      40       7
       19      51      18       3       1       2      14      55      27       7
       46     115      40       5       2       1       6      38      35       7
-       5      26      25       5       1       1       1      11      62      49
+       5      27      25       5       1       1       1      11      62      49
       11      12      87     114      29       5       2       1       3      32
       80      33       6       3      12      12       3       1       1       1
        1      10      43      30       7       4      30      95      52      11
@@ -54,7 +54,7 @@
        1       1       1       1       1       1       1       1       1       2
        2       3       5       9      35     164     381     417     296     185
      114      70      44      27      18      12       8       6       5       5
-       6       7      10      30     147     436     600     482     314     197
+       6       7      10      30     147     436     600     482     314     198
      124      78      49      31      20      13       9       6       4       3
        2       2       1       0       0       0       0       0       0       0
        1       1       1       1       1       2       2       4      11      53
@@ -114,7 +114,7 @@
        0       0       0       0       0       0       0       0       0       0
        0       0       0       0       0       2       2       2       2       2
        2       3       3       3       3       4       4       5       5       6
-       7       9      10      12      16      20      28      52     135     373
+       7       9      10      12      15      20      28      52     135     373
      827    1339    1598    1525    1285    1030     814     642     505     398
      313     247     194     153     121      96      76      60      48      38
       31      24      20      16      13      11       9       7       0       0
@@ -125,7 +125,7 @@
        3       4       4       4       5       5       5       6       7       7
        8       9      10      12      13      16      18      22      27      33
       44      68     141     374     929    1817    2663    3000    2802    2358
-    1903    1516    1205     956     759     602     478     380     302     241
+    1903    1516    1204     956     759     602     478     380     302     240
      192     153     122      98      79      63      51      41      34      28
       23      19      16      13       0       0       0       0       0       0
        0       0       0       0       0       0       0       0       0       0
@@ -144,8 +144,8 @@
        0       0       0       0       0       0       0       0       0       0
        2       2       2       3       3       3       3       4       4       4
        4       5       5       6       6       7       8       9      10      12
-      14      16      19      23      29      38      59     121     292     665
-    1261    1897    2275    2275    2019    1681    1365    1099     883     709
+      14      16      19      23      29      38      59     121     291     665
+    1261    1897    2275    2275    2019    1682    1365    1099     883     709
      570     458     368     296     238     192     154     125     101      82
       66      54      44      36      30      25      20      17      14      12
       10       9       7       0       0       0       0       0       0       0
@@ -161,7 +161,7 @@
        0       0       0       0       0       2       2       2       2       2
        2       2       2       3       3       3       3       3       4       4
        5       5       6       6       7       8       9      11      12      15
-      18      22      30      50     102     232     488     874    1283    1547
+      18      22      30      50     102     231     488     874    1283    1546
     1582    1442    1225    1007     818     662     535     432     349     282
      228     185     149     121      98      80      65      53      43      36
       29      24      20      17      14      12      10       8       7       6
@@ -245,7 +245,7 @@
       14      15      16      16      17      18      19      20      22      23
       24      26      28      30      32      34      37      40      44      48
       53      58      64      71      80      90     103     118     139     167
-     213     299     475     834    1515    2666    4355    6465    8636   10357
+     213     299     475     834    1515    2665    4354    6465    8636   10356
    11221   11140   10315    9071    7707    6415    5284    4332    3546    2902
     2376    1946    1595    1309    1076     885     729     602     498     413
      343     286     240     201     170     144     122     104      90      77
@@ -426,11 +426,11 @@
       44      46      48      51      53      55      58      61      64      68
       71      75      80      84      89      95     101     108     116     124
      133     144     155     168     183     200     220     244     274     313
-     367     446     567     759    1062    1532    2237    3252    4641    6440
+     367     446     567     759    1062    1532    2237    3251    4641    6440
     8632   11128   13760   16289   18442   19973   20722   20653   19844   18454
-   16681   14718   12731   10843    9130    7625    6337    5251    4347    3599
+   16680   14717   12731   10843    9129    7625    6336    5251    4347    3599
     2982    2475    2058    1715    1433    1200    1009     851     720     612
-     523     448     386     335     291     255     225     199     177     158
+     522     448     386     334     291     255     225     199     177     158
      143     129     117     107      99      91      84      78      73      68
       64      61      57      54      51      49      46      44      42      41
       39      37      36      34      33      32      31      30      29      28
diff --git a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.fou b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.fou
index 9613de1bd..2c027099d 100644
--- a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.fou
+++ b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.fou
@@ -1,17 +1,17 @@
- Phase No.:   1  Pr2NiO4:Sr                   
+ Phase No.:   1 Pr2NiO4:Sr                    
    2   0   0   52.82    0.09
    4   0   0  111.89    0.11
    6   0   0   29.67    0.11
-   0   2   0   53.06    0.07
+   0   2   0   53.06    0.06
    2   2   0  128.32    0.13
    4   2   0   37.06    0.08
    6   2   0   94.86    0.09
    0   4   0  114.07    0.11
    2   4   0   37.44    0.13
    4   4   0  101.46    0.10
-   6   4   0   30.53    0.25
+   6   4   0   30.52    0.25
    0   6   0   30.71    0.20
-   2   6   0   94.23    0.09
+   2   6   0   94.22    0.09
    4   6   0   30.73    0.11
    1   1   1   30.02    0.08
    3   1   1   25.75    0.10
@@ -25,37 +25,37 @@
    1   5   1   20.82    0.15
    3   5   1   22.51    0.13
    5   5   1   19.50    0.17
-   1   7   1   20.43    0.17
+   1   7   1   20.43    0.16
    3   7   1   18.79    0.47
    0   0   2   39.64    0.09
-   2   0   2   23.89    0.15
+   2   0   2   23.89    0.14
    4   0   2   46.90    0.10
-   6   0   2    9.30    0.35
+   6   0   2    9.30    0.34
    0   2   2   24.18    0.10
    2   2   2   44.65    0.07
    4   2   2   13.95    0.28
    6   2   2   46.32    0.19
-   0   4   2   46.77    0.18
-   2   4   2   14.50    0.23
+   0   4   2   46.77    0.19
+   2   4   2   14.50    0.22
    4   4   2   45.20    0.07
-   6   4   2    8.73    0.36
-   0   6   2    9.90    0.35
+   6   4   2    8.73    0.35
+   0   6   2    9.90    0.34
    2   6   2   46.19    0.07
-   4   6   2    9.43    0.35
+   4   6   2    9.43    0.34
    1   1   3   24.18    0.10
    3   1   3   32.76    0.14
-   5   1   3   37.42    0.08
+   5   1   3   37.42    0.09
    7   1   3   38.07    0.12
-   1   3   3   32.41    0.08
+   1   3   3   32.41    0.09
    3   3   3   33.56    0.09
    5   3   3   37.79    0.08
-   7   3   3   33.23    0.21
-   1   5   3   36.91    0.08
+   7   3   3   33.23    0.22
+   1   5   3   36.91    0.09
    3   5   3   37.33    0.08
    5   5   3   31.90    0.10
    1   7   3   37.85    0.08
    3   7   3   33.72    0.10
-   0   0   4   30.64    0.11
+   0   0   4   30.64    0.12
    2   0   4   41.67    0.10
    4   0   4   35.45    0.12
    6   0   4   26.03    0.13
@@ -69,8 +69,8 @@
    6   4   4   23.23    0.16
    0   6   4   26.12    0.13
    2   6   4   35.20    0.09
-   4   6   4   23.00    0.26
-   1   1   5   62.71    0.06
+   4   6   4   23.00    0.25
+   1   1   5   62.70    0.06
    3   1   5   54.38    0.12
    5   1   5   44.93    0.07
    7   1   5   39.59    0.12
@@ -89,47 +89,47 @@
    6   0   6   25.20    0.22
    0   2   6   45.70    0.07
    2   2   6   98.86    0.11
-   4   2   6   31.43    0.20
+   4   2   6   31.43    0.19
    6   2   6   73.97    0.09
    0   4   6   87.49    0.09
-   2   4   6   31.94    0.10
+   2   4   6   31.94    0.09
    4   4   6   79.74    0.09
    6   4   6   25.82    0.18
-   0   6   6   25.50    0.21
+   0   6   6   25.50    0.20
    2   6   6   74.15    0.12
    4   6   6   25.82    0.23
    1   1   7   10.19    0.26
-   3   1   7    9.09    0.41
-   5   1   7    8.22    0.54
-   7   1   7    8.96    0.55
-   1   3   7    9.21    0.30
+   3   1   7    9.09    0.40
+   5   1   7    8.22    0.53
+   7   1   7    8.96    0.54
+   1   3   7    9.21    0.29
    3   3   7    7.46    0.34
    5   3   7    9.29    0.35
-   1   5   7    8.22    1.24
-   3   5   7    9.43    0.32
-   5   5   7    8.27    1.28
-   1   7   7    9.85    0.62
+   1   5   7    8.22    1.22
+   3   5   7    9.43    0.31
+   5   5   7    8.27    1.27
+   1   7   7    9.85    0.61
    0   0   8   54.04    0.09
-   2   0   8    5.00    1.23
+   2   0   8    5.00    1.05
    4   0   8   62.30    0.10
-   6   0   8    9.20    4.25
-   0   2   8    5.25    0.81
-   2   2   8   58.60    0.07
-   4   2   8    6.35    3.30
+   6   0   8    9.20    4.40
+   0   2   8    5.25    0.70
+   2   2   8   58.59    0.07
+   4   2   8    6.35    3.64
    6   2   8   59.39    0.12
    0   4   8   61.10    0.14
-   2   4   8    6.25    0.74
-   4   4   8   58.92    0.15
-   0   6   8    9.51    1.07
+   2   4   8    6.25    0.81
+   4   4   8   58.91    0.15
+   0   6   8    9.51    1.11
    2   6   8   58.88    0.16
-   1   1   9    4.31    2.25
-   3   1   9   11.81    0.38
-   5   1   9   17.41    0.20
-   1   3   9   10.67    0.31
-   3   3   9   13.84    0.29
+   1   1   9    4.31    2.95
+   3   1   9   11.81    0.40
+   5   1   9   17.41    0.21
+   1   3   9   10.67    0.33
+   3   3   9   13.84    0.31
    5   3   9   18.19    0.20
-   1   5   9   16.78    0.20
-   3   5   9   17.60    0.20
+   1   5   9   16.78    0.21
+   3   5   9   17.60    0.21
    0   0  10   25.73    0.16
    2   0  10   17.93    0.25
    4   0  10   26.79    0.11
@@ -138,62 +138,62 @@
    2   2  10   26.70    0.12
    4   2  10   13.40    0.76
    6   2  10   26.43    0.13
-   0   4  10   26.48    0.18
+   0   4  10   26.47    0.18
    2   4  10   13.86    0.40
    4   4  10   27.51    0.12
    0   6  10   11.62    0.84
    2   6  10   26.65    0.13
    1   1  11   77.54    0.08
    3   1  11   68.12    0.07
-   5   1  11   56.88    0.13
+   5   1  11   56.88    0.12
    1   3  11   68.84    0.07
    3   3  11   62.96    0.07
    5   3  11   56.93    0.07
    1   5  11   57.02    0.07
    3   5  11   57.26    0.07
    0   0  12   66.01    0.09
-   2   0  12   16.24    0.39
+   2   0  12   16.24    0.37
    4   0  12   50.60    0.13
-   6   0  12    3.84    3.39
-   0   2  12   16.70    0.18
+   6   0  12    3.84    3.20
+   0   2  12   16.70    0.17
    2   2  12   57.48    0.07
-   4   2  12    8.73    0.34
+   4   2  12    8.73    0.32
    0   4  12   50.68    0.07
-   2   4  12    8.81    0.33
+   2   4  12    8.81    0.31
    4   4  12   45.48    0.11
-   0   6  12    5.47    1.36
+   0   6  12    5.47    1.29
    1   1  13   13.20    0.28
    3   1  13   13.68    0.27
    5   1  13   13.41    0.33
    1   3  13   13.53    0.28
    3   3  13   12.03    0.46
    1   5  13   14.15    0.81
-   0   0  14   34.50    0.08
-   2   0  14   10.84    0.29
+   0   0  14   34.50    0.09
+   2   0  14   10.84    0.30
    4   0  14   44.43    0.13
-   0   2  14   10.02    0.29
-   2   2  14   40.24    0.08
-   4   2  14   17.81    0.55
+   0   2  14   10.02    0.31
+   2   2  14   40.24    0.09
+   4   2  14   17.81    0.57
    0   4  14   43.90    0.08
-   2   4  14   17.56    0.23
+   2   4  14   17.56    0.24
    0   6  14   20.82    0.29
-   1   1  15   18.10    0.28
-   3   1  15   11.11    0.30
-   1   3  15   11.40    0.29
-   3   3  15    7.86    0.64
+   1   1  15   18.10    0.27
+   3   1  15   11.11    0.28
+   1   3  15   11.40    0.28
+   3   3  15    7.86    0.61
    0   0  16   43.04    0.09
    2   0  16   13.74    0.42
-   0   2  16   14.82    1.23
+   0   2  16   14.82    1.22
    2   2  16   41.53    0.09
    0   4  16   38.81    0.13
-   0   6  16   11.02    0.51
+   0   6  16   11.02    0.50
    1   1  17   62.81    0.08
    0   0  18   24.56    0.14
-   0   2  18    7.72    0.91
-   0   4  18   16.65    0.35
-   0   6  18    5.43   11.33
-   0   0  20    8.33    0.68
-   0   2  20    6.73    1.54
-   0   4  20   17.20    0.47
+   0   2  18    7.72    0.86
+   0   4  18   16.65    0.34
+   0   6  18    5.43    9.83
+   0   0  20    8.33    0.73
+   0   2  20    6.73    1.38
+   0   4  20   17.20    0.49
    0   0  22   46.75    0.13
    0   2  22   39.29    0.15
diff --git a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.ins b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.ins
index 1a32ab238..103fca865 100644
--- a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.ins
+++ b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.ins
@@ -6,7 +6,7 @@ SYMM x,-y,-z
 SYMM -x,y,-z                                           
 SYMM -x,-y,z                                           
 SFAC  PR  NI  O
-UNIT   64  32 132
+UNIT   64  32 134
 HKLF 3
 OMIT  
 L.S.  3 
@@ -14,15 +14,15 @@ WGHT  0.000
 FMAP  2  -3  28  60  0 
 GRID -2  -2  -2   2   2   2
 FVAR  1.0
-Pr      1      0.50000     0.50000     0.35973    10.25000     0.01056     0.01054 = 
+Pr      1      0.50000     0.50000     0.35973    10.25000     0.01056     0.01055 = 
                0.00663     0.00000     0.00000     0.00000
 Ni      2      0.00000     0.00000     0.00000    10.12500     0.00416     0.00416 = 
                0.01192     0.00000     0.00000     0.00000
 O1      3      0.25000     0.25000     0.00000    10.25000     0.00744     0.00743 = 
-               0.03260     0.00000    -0.00208     0.00000
-O2      3      0.00000     0.00000     0.17385    10.17535     0.02551     0.02548 = 
-               0.00352     0.00000     0.00000     0.00000
-Oi      3      0.25000     0.25000     0.25000    10.01866     0.01553     0.01748 = 
-               0.00772     0.00000     0.00000     0.00000
+               0.03261     0.00000    -0.00208     0.00000
+O2      3      0.00000     0.00000     0.17385    10.18074     0.02552     0.02549 = 
+               0.00355     0.00000     0.00000     0.00000
+Oi      3      0.25000     0.25000     0.25000    10.01866     0.01536     0.01747 = 
+               0.00789     0.00000     0.00000     0.00000
 Od      3      0.07347     0.07347     0.17349    10.07465     0.02931
 END  
diff --git a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.out b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.out
index 53d5ec16a..118909690 100644
--- a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.out
+++ b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.out
@@ -1,17 +1,17 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 06/06/2026  Time: 20:12:49.197                              
+    Date: 09/06/2026  Time: 12:42:05.090                              
 
  => PCR file code: prnio
- => DAT file code: prnio.dat            -> Relative contribution: 1.0000                                                            
+ => DAT file code: prnio                -> Relative contribution: 1.0000                                                            
 
  ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
 
@@ -25,10 +25,10 @@
  => Relaxation factors ==>    for coordinates:  1.00
  => for anisotropic temperature factors:  1.00
  => EPS-value for convergence:    0.2
- => Number of Least-Squares parameters varied:    20
+ => Number of Least-Squares parameters varied:     0
  --------------------------------------------------------------------------------
  => Phase  No. 1
-       Pr2NiO4:Sr                                                           
+      Pr2NiO4:Sr                                                            
  --------------------------------------------------------------------------------
  =>-------> Pattern#  1
  => Integrated intensities or Flipping Ratios as observations for phase: 1
@@ -154,45 +154,45 @@
  Atom    Ntyp                  X         Y         Z         B         occ.         in  fin  Spc  Mult
                              B11       B22       B33       B12       B13       B23
  Pr     PR                 0.50000   0.50000   0.35973   0.00000   2.00000           0    0    0    8
-                 Codes:    0.00000   0.00000  51.00000   0.00000   0.00000
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
                  Betas:    0.00710   0.00710   0.00084   0.00000   0.00000   0.00000
-                 Codes:   21.00000  21.00000 141.00000   0.00000   0.00000   0.00000
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
  Ni     NI                 0.00000   0.00000   0.00000   0.00000   1.00000           0    0    0    4
                  Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
                  Betas:    0.00280   0.00280   0.00151   0.00000   0.00000   0.00000
-                 Codes:   31.00000  31.00000 151.00000   0.00000   0.00000   0.00000
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
  O1     O                  0.25000   0.25000   0.00000   0.00000   2.00000           0    0    0    8
                  Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
                  Betas:    0.00500   0.00500   0.00413  -0.00140   0.00000   0.00000
-                 Codes:  101.00000 101.00000 111.00000 181.00000   0.00000   0.00000
- O2     O                  0.00000   0.00000   0.17385   0.00000   1.40277           0    0    0    8
-                 Codes:    0.00000   0.00000  61.00000   0.00000 -84.00000
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
+ O2     O                  0.00000   0.00000   0.17385   0.00000   1.44593           0    0    0    8
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
                  Betas:    0.01716   0.01716   0.00045   0.00000   0.00000   0.00000
-                 Codes:   41.00000  41.00000 121.00000   0.00000   0.00000   0.00000
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
  Oi     O                  0.25000   0.25000   0.25000   0.00000   0.14931           0    0    0    8
-                 Codes:    0.00000   0.00000   0.00000   0.00000  81.00000
-                 Betas:    0.01044   0.01177   0.00098   0.00000   0.00000   0.00000
-                 Codes:  191.00000 201.00000 161.00000   0.00000   0.00000   0.00000
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
+                 Betas:    0.01033   0.01176   0.00100   0.00000   0.00000   0.00000
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000   0.00000
  Od     O                  0.07347   0.07347   0.17349   2.31435   0.59723           0    0    0   32
-                 Codes:   91.00000  91.00000  71.00000 131.00000  84.00000
+                 Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
 
- => IT IS ASSUMED THAT THE FIRST GIVEN SITE IS FULLY OCCUPIED 
-    OR THE FIRST AND SECOND ATOMS ARE IN THE SAME SITE WITH TOTAL FULL OCCUPATION
+ => It is assumed that THE FIRST GIVEN SITE plus all the other atoms 
+    occupying THE SAME POSITION have a total full occupation (no vacancies!)
   (if this is not the case, change the order of atoms to obtain correct values for the content of the unit cell)
-    The given occupation factors have been obtained mutiplying m/M by   8.0000
+    The phase contains sites partially occupied
       -> Atom: PR  ,  Chemical element: PR  Atomic Mass:   140.9077
       -> Atom: NI  ,  Chemical element: NI  Atomic Mass:    58.7000
       -> Atom: O   ,  Chemical element: O   Atomic Mass:    15.9994
       -> Atom: O   ,  Chemical element: O   Atomic Mass:    15.9994
       -> Atom: O   ,  Chemical element: O   Atomic Mass:    15.9994
       -> Atom: O   ,  Chemical element: O   Atomic Mass:    15.9994
- => The given value of ATZ is     104166.89 the program has calculated:      104166.88
+ => The given value of ATZ is     104343.66 the program has calculated:      104343.66
     The value of ATZ given in the input PCR file will be used for quantitative analysis
  => The chemical content of the unit cell is: 
-       8.0000 PR   +   4.0000 NI   +   8.0000 O    +   5.6111 O    +   0.5972 O    +   2.3889 O      
+       8.0000 PR   +   4.0000 NI   +   8.0000 O    +   5.7837 O    +   0.5972 O    +   2.3889 O      
  => The normalized site occupation numbers in % are: 
-     100.0000 Pr     :      100.0000 Ni     :      100.0000 O1     :       70.1385 O2     :        7.4655 Oi     :        7.4654 Od       
- => The density (volumic mass) of the compound is:    7.381 g/cm3
+     100.0000 Pr     :      100.0000 Ni     :      100.0000 O1     :       72.2965 O2     :        7.4655 Oi     :        7.4654 Od       
+ => The density (volumic mass) of the compound is:    7.393 g/cm3
 
  =>-------> SCALE FACTORS, EXTINCTION AND CELL PARAMETERS FOR PATTERN:  1
 
@@ -205,9 +205,9 @@
 
  ==> CODEWORDS FOR Scale and Extinction PARAMETERS for Pattern  1
 
- => Scale factors ( 1: 6):   11.000   0.000   0.000   0.000   0.000   0.000
+ => Scale factors ( 1: 6):    0.000   0.000   0.000   0.000   0.000   0.000
 
- => Extinction parameters:  171.000   0.000   0.000   0.000   0.000   0.000   0.000
+ => Extinction parameters:    0.000   0.000   0.000   0.000   0.000   0.000   0.000
 
 
  => Cell constraints according to Laue symmetry: mmm  
@@ -266,62 +266,37 @@
  PR     0.4580
  NI     1.0300
  O      0.5803
-
-     --------------------------------------------------------------
-      SYMBOLIC NAMES AND INITIAL VALUES OF PARAMETERS TO BE VARIED:
-     --------------------------------------------------------------
-
-      ->  Parameter number    1   -> Symbolic Name:                                             Scale1    0.62980004E-01
-      ->  Parameter number    2   -> Symbolic Name:                                           bet11_Pr    0.71000000E-02
-      ->  Parameter number    3   -> Symbolic Name:                                           bet11_Ni    0.27999999E-02
-      ->  Parameter number    4   -> Symbolic Name:                                           bet11_O2    0.17160000E-01
-      ->  Parameter number    5   -> Symbolic Name:                                               Z_Pr    0.35973001    
-      ->  Parameter number    6   -> Symbolic Name:                                               Z_O2    0.17385000    
-      ->  Parameter number    7   -> Symbolic Name:                                               Z_Od    0.17349000    
-      ->  Parameter number    8   -> Symbolic Name:                                             Occ_O2    0.14930999    
-      ->  Parameter number    9   -> Symbolic Name:                                               X_Od    0.73469996E-01
-      ->  Parameter number   10   -> Symbolic Name:                                           bet11_O1    0.49999999E-02
-      ->  Parameter number   11   -> Symbolic Name:                                           bet33_O1    0.41299998E-02
-      ->  Parameter number   12   -> Symbolic Name:                                           bet33_O2    0.44999999E-03
-      ->  Parameter number   13   -> Symbolic Name:                                            Biso_Od     2.3143499    
-      ->  Parameter number   14   -> Symbolic Name:                                           bet33_Pr    0.83999999E-03
-      ->  Parameter number   15   -> Symbolic Name:                                           bet33_Ni    0.15100000E-02
-      ->  Parameter number   16   -> Symbolic Name:                                           bet33_Oi    0.98000001E-03
-      ->  Parameter number   17   -> Symbolic Name:                                               Ext1    0.10540000E-03
-      ->  Parameter number   18   -> Symbolic Name:                                           bet12_O1   -0.14000000E-02
-      ->  Parameter number   19   -> Symbolic Name:                                           bet11_Oi    0.10440000E-01
-      ->  Parameter number   20   -> Symbolic Name:                                           bet22_Oi    0.11770000E-01
   
  
  => No optimization for routine tasks
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
  => CYCLE No.:    1
- ---------------------------------------------------------------------------------------
- => Phase  1 Name:  Pr2NiO4:Sr                                                           
- ---------------------------------------------------------------------------------------
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: Pr2NiO4:Sr
+ ------------------------------------------------------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
 
- Pr       0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.35973-0.00000 0.00008  0.00000 0.00000 0.00000  2.00000 0.00000 0.00000
+ Pr       0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.35973 0.00000 0.00000  0.00000 0.00000 0.00000  2.00000 0.00000 0.00000
  Ni       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  1.00000 0.00000 0.00000
  O1       0.25000 0.00000 0.00000  0.25000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  2.00000 0.00000 0.00000
- O2       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.17385-0.00000 0.00010  0.00000 0.00000 0.00000  1.40277-0.00000 0.04182
- Oi       0.25000 0.00000 0.00000  0.25000 0.00000 0.00000  0.25000 0.00000 0.00000  0.00000 0.00000 0.00000  0.14931 0.00000 0.01045
- Od       0.07347-0.00000 0.00135  0.07347-0.00000 0.00135  0.17349-0.00000 0.00065  2.31435-0.00000 0.14936  0.59723 0.00000 0.04182
+ O2       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.17385 0.00000 0.00000  0.00000 0.00000 0.00000  1.44593 0.00000 0.00000
+ Oi       0.25000 0.00000 0.00000  0.25000 0.00000 0.00000  0.25000 0.00000 0.00000  0.00000 0.00000 0.00000  0.14931 0.00000 0.00000
+ Od       0.07347 0.00000 0.00000  0.07347 0.00000 0.00000  0.17349 0.00000 0.00000  2.31435 0.00000 0.00000  0.59723 0.00000 0.00000
 
  Atom         B11      DB11      SB11       B22      DB22      SB22       B33      DB33      SB33
               B12      DB12      SB12       B13      DB13      SB13       B23      DB23      SB23
- Pr      0.007098 -0.000002  0.000170  0.007098 -0.000002  0.000170  0.000840  0.000000  0.000039
+ Pr      0.007100  0.000000  0.000000  0.007100  0.000000  0.000000  0.000840  0.000000  0.000000
          0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
- Ni      0.002799 -0.000001  0.000127  0.002799 -0.000001  0.000127  0.001510 -0.000000  0.000030
+ Ni      0.002800  0.000000  0.000000  0.002800  0.000000  0.000000  0.001510  0.000000  0.000000
          0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
- O1      0.005001  0.000001  0.000160  0.005001  0.000001  0.000160  0.004129 -0.000001  0.000052
-        -0.001397  0.000003  0.000144  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
- O2      0.017157 -0.000003  0.000407  0.017157 -0.000003  0.000407  0.000446 -0.000004  0.000056
+ O1      0.005000  0.000000  0.000000  0.005000  0.000000  0.000000  0.004130  0.000000  0.000000
+        -0.001400  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
+ O2      0.017160  0.000000  0.000000  0.017160  0.000000  0.000000  0.000450  0.000000  0.000000
          0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
- Oi      0.010444  0.000004  0.003705  0.011770  0.000000  0.003617  0.000978 -0.000002  0.000461
+ Oi      0.010330  0.000000  0.000000  0.011760  0.000000  0.000000  0.001000  0.000000  0.000000
          0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
  Od      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
          0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
@@ -329,7 +304,7 @@
  ==> SCALE, EXTINCTION, CELL PARAMETERS FOR PATTERN#  1
 
  => Scale factors ( 1: 6): 
-             0.062978       -0.000002        0.000566
+             0.062980        0.000000        0.000000
              0.000000        0.000000        0.000000
              0.000000        0.000000        0.000000
              0.000000        0.000000        0.000000
@@ -338,7 +313,7 @@
 
 
  => Extinction Parameters: 
-             0.000105       -0.000000        0.002144
+             0.000105        0.000000        0.000000
              0.000000        0.000000        0.000000
              0.000000        0.000000        0.000000
              0.000000        0.000000        0.000000
@@ -350,53 +325,53 @@
  => Lambda/2 param: 
               0.000000        0.000000        0.000000
 
- => Global user-weigthed Chi2 (Bragg contrib.):   9.96    
+ => Global user-weigthed Chi2 (Bragg contrib.):   10.9    
 
  => ---------> Pattern#  1
  => Phase:  1
- =>    RF2 -factor :   2.90    
- =>    RF2w-factor :   4.36    
- =>    RF  -factor :   2.08    
- =>    Chi2(Intens):   9.96    
+ =>    RF2 -factor :   3.21    
+ =>    RF2w-factor :   4.78    
+ =>    RF  -factor :   2.26    
+ =>    Chi2(Intens):   10.9    
  =>  N_eff Reflect.:    198 with I >  0.00 sigma
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
  => CYCLE No.:    1
  =>  Convergence reached at this CYCLE !!!!
  =>  Parameter shifts set to zero
- ---------------------------------------------------------------------------------------
- => Phase  1 Name:  Pr2NiO4:Sr                                                           
- ---------------------------------------------------------------------------------------
+ ------------------------------------------------------------------------------------------------------------------------------------
+ => Phase  1 Name: Pr2NiO4:Sr
+ ------------------------------------------------------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
 
- Pr       0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.35973 0.00000 0.00008  0.00000 0.00000 0.00000  2.00000 0.00000 0.00000
+ Pr       0.50000 0.00000 0.00000  0.50000 0.00000 0.00000  0.35973 0.00000 0.00000  0.00000 0.00000 0.00000  2.00000 0.00000 0.00000
  Ni       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  1.00000 0.00000 0.00000
  O1       0.25000 0.00000 0.00000  0.25000 0.00000 0.00000  0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  2.00000 0.00000 0.00000
- O2       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.17385 0.00000 0.00010  0.00000 0.00000 0.00000  1.40277 0.00000 0.04182
- Oi       0.25000 0.00000 0.00000  0.25000 0.00000 0.00000  0.25000 0.00000 0.00000  0.00000 0.00000 0.00000  0.14931 0.00000 0.01045
- Od       0.07347 0.00000 0.00135  0.07347 0.00000 0.00135  0.17349 0.00000 0.00065  2.31435 0.00000 0.14936  0.59723 0.00000 0.04182
+ O2       0.00000 0.00000 0.00000  0.00000 0.00000 0.00000  0.17385 0.00000 0.00000  0.00000 0.00000 0.00000  1.44593 0.00000 0.00000
+ Oi       0.25000 0.00000 0.00000  0.25000 0.00000 0.00000  0.25000 0.00000 0.00000  0.00000 0.00000 0.00000  0.14931 0.00000 0.00000
+ Od       0.07347 0.00000 0.00000  0.07347 0.00000 0.00000  0.17349 0.00000 0.00000  2.31435 0.00000 0.00000  0.59723 0.00000 0.00000
 
  Atom         B11      DB11      SB11       B22      DB22      SB22       B33      DB33      SB33
               B12      DB12      SB12       B13      DB13      SB13       B23      DB23      SB23
- Pr      0.007098  0.000000  0.000170  0.007098  0.000000  0.000170  0.000840  0.000000  0.000039
+ Pr      0.007100  0.000000  0.000000  0.007100  0.000000  0.000000  0.000840  0.000000  0.000000
          0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
 
     U-Eigen Value (A**2) ----      Eigen vector(Orth. syst.)
         0.01056          ----    1.00000    0.00000    0.00000
-        0.01054          ----    0.00000    1.00000    0.00000
+        0.01055          ----    0.00000    1.00000    0.00000
         0.00663          ----    0.00000    0.00000    1.00000
 
     Isotropic temperature factor Uequiv(A**2):   0.0092
-    Isotropic temperature factor Bequiv(A**2):   0.7298
+    Isotropic temperature factor Bequiv(A**2):   0.7299
 
      R.M.S. in ANGSTROMS ------       Angles with A, B, C
-        0.10274          ----      0.000     90.000     90.000
-        0.10268          ----     90.000      0.000     90.000
-        0.08144          ----     90.000     90.000      0.000
+        0.10275          ----      0.000     90.000     90.000
+        0.10269          ----     90.000      0.000     90.000
+        0.08143          ----     90.000     90.000      0.000
  
- Ni      0.002799  0.000000  0.000127  0.002799  0.000000  0.000127  0.001510  0.000000  0.000030
+ Ni      0.002800  0.000000  0.000000  0.002800  0.000000  0.000000  0.001510  0.000000  0.000000
          0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
 
     U-Eigen Value (A**2) ----      Eigen vector(Orth. syst.)
@@ -405,60 +380,60 @@
         0.01192          ----    0.00000    0.00000    1.00000
 
     Isotropic temperature factor Uequiv(A**2):   0.0067
-    Isotropic temperature factor Bequiv(A**2):   0.5327
+    Isotropic temperature factor Bequiv(A**2):   0.5328
 
      R.M.S. in ANGSTROMS ------       Angles with A, B, C
-        0.06452          ----      0.000     90.000     90.000
-        0.06448          ----     90.000      0.000     90.000
-        0.10917          ----     90.000     90.000      0.000
+        0.06453          ----      0.000     90.000     90.000
+        0.06449          ----     90.000      0.000     90.000
+        0.10918          ----     90.000     90.000      0.000
  
- O1      0.005001  0.000000  0.000160  0.005001  0.000000  0.000160  0.004129  0.000000  0.000052
-        -0.001397  0.000000  0.000144  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
+ O1      0.005000  0.000000  0.000000  0.005000  0.000000  0.000000  0.004130  0.000000  0.000000
+        -0.001400  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
 
     U-Eigen Value (A**2) ----      Eigen vector(Orth. syst.)
         0.00951          ----    0.70785   -0.70636    0.00000
-        0.00536          ----   -0.70636   -0.70785    0.00000
-        0.03260          ----    0.00000    0.00000    1.00000
+        0.00535          ----   -0.70636   -0.70785    0.00000
+        0.03261          ----    0.00000    0.00000    1.00000
 
     Isotropic temperature factor Uequiv(A**2):   0.0158
-    Isotropic temperature factor Bequiv(A**2):   1.2491
+    Isotropic temperature factor Bequiv(A**2):   1.2493
 
      R.M.S. in ANGSTROMS ------       Angles with A, B, C
-        0.09751          ----     44.939    134.939     90.000
-        0.07319          ----    134.939    135.061     90.000
-        0.18055          ----     90.000     90.000      0.000
+        0.09753          ----     44.940    134.940     90.000
+        0.07314          ----    134.940    135.060     90.000
+        0.18057          ----     90.000     90.000      0.000
  
- O2      0.017157  0.000000  0.000407  0.017157  0.000000  0.000407  0.000446  0.000000  0.000056
+ O2      0.017160  0.000000  0.000000  0.017160  0.000000  0.000000  0.000450  0.000000  0.000000
          0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
 
     U-Eigen Value (A**2) ----      Eigen vector(Orth. syst.)
-        0.02551          ----    1.00000    0.00000    0.00000
-        0.02548          ----    0.00000    1.00000    0.00000
-        0.00352          ----    0.00000    0.00000    1.00000
+        0.02552          ----    1.00000    0.00000    0.00000
+        0.02549          ----    0.00000    1.00000    0.00000
+        0.00355          ----    0.00000    0.00000    1.00000
 
     Isotropic temperature factor Uequiv(A**2):   0.0182
-    Isotropic temperature factor Bequiv(A**2):   1.4349
+    Isotropic temperature factor Bequiv(A**2):   1.4359
 
      R.M.S. in ANGSTROMS ------       Angles with A, B, C
-        0.15973          ----      0.000     90.000     90.000
-        0.15963          ----     90.000      0.000     90.000
-        0.05935          ----     90.000     90.000      0.000
+        0.15974          ----      0.000     90.000     90.000
+        0.15965          ----     90.000      0.000     90.000
+        0.05960          ----     90.000     90.000      0.000
  
- Oi      0.010444  0.000000  0.003705  0.011770  0.000000  0.003617  0.000978  0.000000  0.000461
+ Oi      0.010330  0.000000  0.000000  0.011760  0.000000  0.000000  0.001000  0.000000  0.000000
          0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
 
     U-Eigen Value (A**2) ----      Eigen vector(Orth. syst.)
-        0.01553          ----    1.00000    0.00000    0.00000
-        0.01748          ----    0.00000    1.00000    0.00000
-        0.00772          ----    0.00000    0.00000    1.00000
+        0.01536          ----    1.00000    0.00000    0.00000
+        0.01747          ----    0.00000    1.00000    0.00000
+        0.00789          ----    0.00000    0.00000    1.00000
 
     Isotropic temperature factor Uequiv(A**2):   0.0136
-    Isotropic temperature factor Bequiv(A**2):   1.0721
+    Isotropic temperature factor Bequiv(A**2):   1.0718
 
      R.M.S. in ANGSTROMS ------       Angles with A, B, C
-        0.12462          ----      0.000     90.000     90.000
-        0.13222          ----     90.000      0.000     90.000
-        0.08788          ----     90.000     90.000      0.000
+        0.12394          ----      0.000     90.000     90.000
+        0.13216          ----     90.000      0.000     90.000
+        0.08885          ----     90.000     90.000      0.000
  
  Od      0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
          0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000  0.000000
@@ -480,7 +455,7 @@
  ==> SCALE, EXTINCTION, CELL PARAMETERS FOR PATTERN#  1
 
  => Scale factors ( 1: 6): 
-             0.062978        0.000000        0.000566
+             0.062980        0.000000        0.000000
              0.000000        0.000000        0.000000
              0.000000        0.000000        0.000000
              0.000000        0.000000        0.000000
@@ -489,7 +464,7 @@
 
 
  => Extinction Parameters: 
-             0.000105        0.000000        0.002144
+             0.000105        0.000000        0.000000
              0.000000        0.000000        0.000000
              0.000000        0.000000        0.000000
              0.000000        0.000000        0.000000
@@ -501,261 +476,241 @@
  => Lambda/2 param: 
               0.000000        0.000000        0.000000
 
- => Global user-weigthed Chi2 (Bragg contrib.):   9.96    
+ => Global user-weigthed Chi2 (Bragg contrib.):   10.9    
 
  => ---------> Pattern#  1
  => Phase:  1
- =>    RF2 -factor :   2.90    
- =>    RF2w-factor :   4.36    
- =>    RF  -factor :   2.08    
- =>    Chi2(Intens):   9.96    
+ =>    RF2 -factor :   3.21    
+ =>    RF2w-factor :   4.78    
+ =>    RF  -factor :   2.26    
+ =>    Chi2(Intens):   10.9    
  =>  N_eff Reflect.:    198 with I >  0.00 sigma
 
- --------------------------------------------------------------------------------------------------------------
- Pattern#  1 Phase No.:   1 Phase name:  Pr2NiO4:Sr                   
- --------------------------------------------------------------------------------------------------------------
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
+ Pattern#  1 Phase No.:   1 Phase name: Pr2NiO4:Sr
+ --------------------------------------------------------------------------------------------------------------------------------------------------------
  => F2cal= scale*Corr*F2
    h   k   l ivk   cod      F2obs         F2cal      F2cal(mag)     Dif/sig   Extinction(y)      Sinthet/lamb  Lambda/2-Contr    RMsFx       IMsFx       RMsFy       IMsFy       RMsFz       IMsFz         RMiVx       IMiVx       RMiVy       IMiVy       RMiVz       IMiVz
-   2   0   0   0     1     175.6782     173.6998        0.0000        0.9794     0.99973            0.18458       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   0   0   0     1     787.9925     788.1127        0.0000       -0.0143     0.99935            0.36915       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   6   0   0   0     1      55.4340      51.2872        0.0000        5.7149     0.99997            0.55373       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   0   2   0   0     1     177.2483     173.7893        0.0000        2.4009     0.99973            0.18469       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   2   0   0     1    1035.9387     971.9664        0.0000        5.7142     0.99890            0.26111       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   2   0   0     1      86.5118      90.9293        0.0000       -4.7566     0.99993            0.41278       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   6   2   0   0     1     566.5186     556.9297        0.0000        2.1826     0.99969            0.58372       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   0   4   0   0     1     818.9590     787.4292        0.0000        5.1377     0.99935            0.36937       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   4   0   0     1      88.2765      91.1006        0.0000       -1.9668     0.99993            0.41292       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   4   0   0     1     648.0270     662.5875        0.0000       -2.9207     0.99959            0.52222       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   6   4   0   0     1      58.6803      57.2852        0.0000        0.7629     0.99997            0.66562       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   0   6   0   0     1      59.4019      51.6230        0.0000        5.4485     0.99997            0.55406       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   6   0   0     1     558.9791     556.0590        0.0000        0.6703     0.99969            0.58399       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   6   0   0     1      59.4729      57.4408        0.0000        2.5844     0.99997            0.66577       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   1   1   1   0     1      56.7652      55.8354        0.0000        1.6173     0.99988            0.13656       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   1   1   0     1      41.7464      41.7105        0.0000        0.0686     0.99996            0.29459       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   5   1   1   0     1      26.7419      26.4301        0.0000        0.5832     0.99998            0.47229       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   7   1   1   0     1      25.2044      23.9349        0.0000        2.4380     0.99999            0.65381       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   9   1   1   0     1      19.6393      19.4778        0.0000        0.1837     0.99999            0.83667       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   1   3   1   0     1      42.1271      41.7101        0.0000        0.7833     0.99996            0.29473       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   3   1   0     1      33.1617      33.2291        0.0000       -0.1319     0.99997            0.39370       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   5   3   1   0     1      32.8350      33.2058        0.0000       -0.7060     0.99998            0.53970       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   7   3   1   0     1      22.1332      20.7195        0.0000        2.7747     0.99999            0.70405       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   1   5   1   0     1      27.3004      26.4328        0.0000        1.7429     0.99998            0.47255       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   5   1   0     1      31.9012      33.2061        0.0000       -2.4701     0.99998            0.53985       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   5   5   1   0     1      23.9531      23.8840        0.0000        0.1361     0.99999            0.65400       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   1   7   1   0     1      26.2984      23.9396        0.0000        4.5197     0.99999            0.65418       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   3   7   1   0     1      22.2453      20.7201        0.0000        1.1895     0.99999            0.70434       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   0   0   2   0     1      98.9310      99.3599        0.0000       -0.3694     0.99964            0.08011       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   0   2   0     1      35.9547      35.2178        0.0000        1.1334     0.99995            0.20121       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   0   2   0     1     138.5255     142.6666        0.0000       -2.3194     0.99989            0.37775       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   6   0   2   0     1       5.4487       4.5726        0.0000        3.9571     1.00000            0.55949       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   0   2   2   0     1      36.8131      35.2587        0.0000        3.3689     0.99995            0.20131       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   2   2   0     1     125.5642     123.8303        0.0000        1.5534     0.99987            0.27312       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   2   2   0     1      12.2524      13.4690        0.0000       -2.6622     0.99999            0.42048       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   6   2   2   0     1     135.1206     140.7125        0.0000       -1.6945     0.99992            0.58919       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   0   4   2   0     1     137.7475     142.9589        0.0000       -1.5958     0.99989            0.37796       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   2   4   2   0     1      13.2501      13.5345        0.0000       -0.7429     0.99999            0.42062       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-   4   4   2   0     1     128.6454     132.3476        0.0000       -3.0533     0.99992            0.52832       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
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+   0   6  14   0     1      27.2955      22.0068        0.0000        5.8143     0.99999            0.78830       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   1   1  15   0     1      20.6242      18.0652        0.0000        3.9010     0.99999            0.61482       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   3   1  15   0     1       7.7692       8.2707        0.0000       -1.7466     1.00000            0.66794       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   1   3  15   0     1       8.1809       8.2705        0.0000       -0.3131     1.00000            0.66800       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   3   3  15   0     1       3.8877       5.0505        0.0000       -3.4179     1.00000            0.71719       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   0   0  16   0     1     116.6634     120.2515        0.0000       -2.6893     0.99994            0.64085       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   2   0  16   0     1      11.8907      10.7257        0.0000        1.9628     0.99999            0.66690       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   0   2  16   0     1      13.8307      10.7450        0.0000        1.6513     0.99999            0.66693       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   2   2  16   0     1     108.6018     107.8628        0.0000        0.6320     0.99994            0.69200       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   0   4  16   0     1      94.8658      97.2779        0.0000       -1.5505     0.99995            0.73968       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   0   6  16   0     1       7.6515       7.5431        0.0000        0.2247     1.00000            0.84715       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   1   1  17   0     1     248.4175     248.2727        0.0000        0.0592     0.99987            0.69331       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   0   0  18   0     1      37.9880      36.9962        0.0000        1.5007     0.99998            0.72096       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   0   2  18   0     1       3.7538       3.2104        0.0000        1.4470     1.00000            0.74424       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   0   4  18   0     1      17.4513      21.8402        0.0000       -5.2443     0.99999            0.81007       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   0   6  18   0     1       1.8601       0.2217        0.0000        2.0612     1.00000            0.90926       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   0   0  20   0     1       4.3689       5.6582        0.0000       -2.8386     1.00000            0.80106       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   0   2  20   0     1       2.8517       2.3326        0.0000        1.1551     1.00000            0.82208       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   0   4  20   0     1      18.6345      14.8211        0.0000        3.7132     0.99999            0.88212       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   0   0  22   0     1     137.6091     135.8934        0.0000        0.7537     0.99993            0.88117       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
+   0   2  22   0     1      97.2130      91.9142        0.0000        2.8929     0.99996            0.90032       0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000       0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
 
      -----------------------------------------------------
      R-Factors and Chi2 for Integrated Intensity Pattern #  1
      -----------------------------------------------------
  => Phase:  1
- =>    RF2 -factor :   2.90    
- =>    RF2w-factor :   4.36    
- =>    RF  -factor :   2.08    
- =>    Chi2(Intens):   9.96    
+ =>    RF2 -factor :   3.21    
+ =>    RF2w-factor :   4.78    
+ =>    RF  -factor :   2.26    
+ =>    Chi2(Intens):   10.9    
  =>  N_eff Reflect.:    198 with I >  0.00 sigma
 
      -----------------------------------------------------------------
       SYMBOLIC NAMES AND FINAL VALUES AND SIGMA OF REFINED PARAMETERS:
      -----------------------------------------------------------------
 
-      ->  Parameter number    1 :                                             Scale1    0.62978134E-01( +/-    0.56595734E-03 )
-      ->  Parameter number    2 :                                           bet11_Pr    0.70981560E-02( +/-    0.17018862E-03 )
-      ->  Parameter number    3 :                                           bet11_Ni    0.27994222E-02( +/-    0.12680328E-03 )
-      ->  Parameter number    4 :                                           bet11_O2    0.17157231E-01( +/-    0.40693360E-03 )
-      ->  Parameter number    5 :                                               Z_Pr    0.35972917    ( +/-    0.76749966E-04 )
-      ->  Parameter number    6 :                                               Z_O2    0.17384885    ( +/-    0.98897144E-04 )
-      ->  Parameter number    7 :                                               Z_Od    0.17348534    ( +/-    0.65162429E-03 )
-      ->  Parameter number    8 :                                             Occ_O2    0.14931099    ( +/-    0.10454523E-01 )
-      ->  Parameter number    9 :                                               X_Od    0.73466040E-01( +/-    0.13494219E-02 )
-      ->  Parameter number   10 :                                           bet11_O1    0.50007985E-02( +/-    0.16042199E-03 )
-      ->  Parameter number   11 :                                           bet33_O1    0.41291057E-02( +/-    0.52031999E-04 )
-      ->  Parameter number   12 :                                           bet33_O2    0.44614339E-03( +/-    0.56099438E-04 )
-      ->  Parameter number   13 :                                            Biso_Od     2.3143485    ( +/-    0.14935911     )
-      ->  Parameter number   14 :                                           bet33_Pr    0.84002386E-03( +/-    0.38965209E-04 )
-      ->  Parameter number   15 :                                           bet33_Ni    0.15096324E-02( +/-    0.29887173E-04 )
-      ->  Parameter number   16 :                                           bet33_Oi    0.97828743E-03( +/-    0.46055808E-03 )
-      ->  Parameter number   17 :                                               Ext1    0.10539976E-03( +/-    0.21439791E-02 )
-      ->  Parameter number   18 :                                           bet12_O1   -0.13965607E-02( +/-    0.14420897E-03 )
-      ->  Parameter number   19 :                                           bet11_Oi    0.10444383E-01( +/-    0.37046385E-02 )
-      ->  Parameter number   20 :                                           bet22_Oi    0.11770230E-01( +/-    0.36168250E-02 )
 
  ------------------------------------------------------------------
  => Number of bytes for floating point variables: 4
  => Dimensions of dynamic allocated arrays in this run of FullProf:
  ------------------------------------------------------------------
 
- => Total approximate array memory (dynamic + static): 127459053 bytes
+ => Total approximate array memory (dynamic + static): 132451053 bytes
 
     MaxPOINT=    80000 Max.num. of points(+int. Inten.)/diffraction pattern       
     MaxREFLT=    25000 Max.num. of reflections/diffraction pattern               
@@ -780,7 +735,7 @@
     NGL     =      400 Max.num. of global parameters/diffraction pattern          
     N_LINC  =       50 Max.num. of global linear restraints                        
     NAT_P   =       80 Max.num. of atomic parameters per atom                     
-    NCONST  =      500 Max.num. of slack constraints per phase                    
+    NCONST  =     3500 Max.num. of slack constraints per phase                    
     N_SPE   =       30 Max.num. of different chemical species                     
     N_FORM  =       60 Max.num. of scattering factor values in a table            
     NPR     =      150 Max.num. of points defining a numerical profile            
@@ -789,7 +744,7 @@
     NSOL    =       10 Max.num. of solutions to be stored in Montecarlo searchs   
 
  
-              CPU Time:     0.211 seconds
-                            0.004 minutes
+              CPU Time:     0.156 seconds
+                            0.003 minutes
 
- => Run finished at:     Date: 06/06/2026  Time: 20:12:49.406                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:05.243                              
diff --git a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.pcr b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.pcr
index 105864ec6..a6843d710 100644
--- a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.pcr
+++ b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.pcr
@@ -1,61 +1,61 @@
 COMM Pr2NiO4:Sr Test of Xtal option of FullProf
-! Current global Chi2 (Bragg contrib.) =      9.956    
-! Files => DAT-file: prnio.dat,  PCR-file: prnio
+! Current global Chi2 (Bragg contrib.) =      10.88    
+! Files => DAT-file: prnio,  PCR-file: prnio
 !Job Npr Nph Nba Nex Nsc Nor Dum Iwg Ilo Ias Res Ste Nre Cry Uni Cor Opt Aut
    1   0   1   0   0   0   0   0   0   0   0   0   0   0   1   0   0   0   1
 !
 !Ipr Ppl Ioc Mat Pcr Ls1 Ls2 Ls3 NLI Prf Ins Rpa Sym Hkl Fou Sho Ana
-   2   0   1   0   1   0   4   0   0   1   0   0   0   0   2   0   0
+   2   0   1   0   1   0   4   0   0  -3   0   0   0   0   2   0   0
 !
 !NCY  Eps  R_at  R_an  R_pr  R_gl     Thmin       Step       Thmax    PSD    Sent0
   5  0.20  1.00  1.00  1.00  1.00      0.0801   0.100000    89.9000   0.000   0.000
 !
 !
-      20    !Number of refined parameters
+       0    !Number of refined parameters
 !-------------------------------------------------------------------------------
-!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   2.9048
+!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   3.2093
 !-------------------------------------------------------------------------------
- Pr2NiO4:Sr
+Pr2NiO4:Sr
 !
 !Nat Dis Ang Pr1 Pr2 Pr3 Jbt Irf Isy Str Furth       ATZ    Nvk Npr More
-   6   0   0 0.0 0.0 1.0   0   4   0   0   0     104166.891   0   0   0
+   6   0   0 0.0 0.0 1.0   0   4   0   0   0     104343.664   0   0   0
 !
 !
 F m m m                  <--Space group symbol
 !Atom   Typ       X        Y        Z     Biso       Occ     In Fin N_t Spc /Codes
 !    beta11   beta22   beta33   beta12   beta13   beta23  /Codes
 Pr     PR      0.50000  0.50000  0.35973  0.00000   2.00000   0   0   2    0  #COLOR magenta
-                  0.00     0.00    51.00     0.00      0.00
+                  0.00     0.00     0.00     0.00      0.00
       0.00710  0.00710  0.00084  0.00000  0.00000   0.00000
-        21.00    21.00   141.00     0.00     0.00      0.00
+         0.00     0.00     0.00     0.00     0.00      0.00
 Ni     NI      0.00000  0.00000  0.00000  0.00000   1.00000   0   0   2    0  #COLOR green
                   0.00     0.00     0.00     0.00      0.00
       0.00280  0.00280  0.00151  0.00000  0.00000   0.00000
-        31.00    31.00   151.00     0.00     0.00      0.00
+         0.00     0.00     0.00     0.00     0.00      0.00
 O1     O       0.25000  0.25000  0.00000  0.00000   2.00000   0   0   2    0  #conn Ni O 0 1.96
                   0.00     0.00     0.00     0.00      0.00
       0.00500  0.00500  0.00413 -0.00140  0.00000   0.00000
-       101.00   101.00   111.00   181.00     0.00      0.00
-O2     O       0.00000  0.00000  0.17385  0.00000   1.40277   0   0   2    0  
-                  0.00     0.00    61.00     0.00    -84.00
+         0.00     0.00     0.00     0.00     0.00      0.00
+O2     O       0.00000  0.00000  0.17385  0.00000   1.44593   0   0   2    0  
+                  0.00     0.00     0.00     0.00      0.00
       0.01716  0.01716  0.00045  0.00000  0.00000   0.00000
-        41.00    41.00   121.00     0.00     0.00      0.00
+         0.00     0.00     0.00     0.00     0.00      0.00
 Oi     O       0.25000  0.25000  0.25000  0.00000   0.14931   0   0   2    0  
-                  0.00     0.00     0.00     0.00     81.00
-      0.01044  0.01177  0.00098  0.00000  0.00000   0.00000
-       191.00   201.00   161.00     0.00     0.00      0.00
+                  0.00     0.00     0.00     0.00      0.00
+      0.01033  0.01176  0.00100  0.00000  0.00000   0.00000
+         0.00     0.00     0.00     0.00     0.00      0.00
 Od     O       0.07347  0.07347  0.17349  2.31435   0.59723   0   0   0    0  
-                 91.00    91.00    71.00   131.00     84.00
+                  0.00     0.00     0.00     0.00      0.00
 !-------> Scale, Extinction and  Cell Parameters for Pattern #  1
 !  Scale Factors 
 !   Sc1        Sc2         Sc3         Sc4         Sc5         Sc6
   0.6298E-01   0.000       0.000       0.000       0.000       0.000    
-       11.00        0.00        0.00        0.00        0.00        0.00
+        0.00        0.00        0.00        0.00        0.00        0.00
 !  Extinction Parameters 
-! Ext1       Ext2       Ext3       Ext4       Ext5       Ext6       Ext7   Ext-Model
- 0.1054E-03  0.000      0.000      0.000      0.000      0.000      0.000       1
-     171.00       0.00       0.00       0.00       0.00       0.00       0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
+!   Ext1        Ext2        Ext3        Ext4        Ext5        Ext6        Ext7   Ext-Model
+  0.1054E-03   0.000       0.000       0.000       0.000       0.000       0.000       1
+        0.00        0.00        0.00        0.00        0.00        0.00        0.00
+!     a          b         c        alpha      beta       gamma      # Cell Info
    5.417799   5.414600  12.483399  90.000000  90.000000  90.000000   #box -0.26 1.26 -0.26 1.26 -0.26 1.26
     0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 ! x-Lambda/2 
diff --git a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.prf b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.prf
index 0b9504fb6..77bdcefe7 100644
--- a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.prf
+++ b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.prf
@@ -1,200 +1,200 @@
  Pr2NiO4:Sr Test of Xtal option of FullProf
  Sinthet/lamb       Gobs        Gcal      Sigma     DIF/Sigma  h   k   l   iv        Additional information            
-     0.08011       98.93       99.36        1.16       -0.37   0   0   2    0
-     0.13656       56.77       55.84        0.57        1.62   1   1   1    0
-     0.16021       59.10       58.76        0.85        0.41   0   0   4    0
-     0.17743       36.82       37.50        0.45       -1.50   1   1   3    0
-     0.18458      175.68      173.70        2.02        0.98   2   0   0    0
-     0.18469      177.25      173.79        1.44        2.40   0   2   0    0
-     0.20121       35.95       35.22        0.65        1.13   2   0   2    0
-     0.20131       36.81       35.26        0.46        3.37   0   2   2    0
-     0.23906      247.55      243.40        1.97        2.11   1   1   5    0
-     0.24032      709.66      762.84        7.43       -7.15   0   0   6    0
-     0.24441      109.35      106.25        1.39        2.23   2   0   4    0
-     0.24449      110.03      106.18        1.33        2.91   0   2   4    0
-     0.26111     1035.94      971.97       11.20        5.71   2   2   0    0
-     0.27312      125.56      123.83        1.12        1.55   2   2   2    0
-     0.29459       41.75       41.71        0.52        0.07   3   1   1    0
-     0.29473       42.13       41.71        0.53        0.78   1   3   1    0
-     0.30302      128.85      129.78        1.63       -0.58   2   0   6    0
-     0.30309      131.52      129.70        1.17        1.55   0   2   6    0
-     0.30634       73.60       69.92        0.76        4.87   2   2   4    0
-     0.30928        6.54        5.63        0.20        4.51   1   1   7    0
-     0.31563       67.58       67.00        1.20        0.48   3   1   3    0
-     0.31575       66.16       67.00        0.70       -1.19   1   3   3    0
-     0.32043      183.91      188.98        2.19       -2.31   0   0   8    0
-     0.35396      186.24      189.63        2.90       -1.17   3   1   5    0
-     0.35407      190.14      189.63        3.13        0.16   1   3   5    0
-     0.35487      615.24      603.33        8.32        1.43   2   2   6    0
-     0.36915      787.99      788.11        8.39       -0.01   4   0   0    0
-     0.36937      818.96      787.43        6.14        5.14   0   4   0    0
-     0.36979        1.57        0.74        0.17        5.01   2   0   8    0
-     0.36984        1.74        0.73        0.12        8.71   0   2   8    0
-     0.37775      138.53      142.67        1.79       -2.32   4   0   2    0
-     0.37796      137.75      142.96        3.27       -1.60   0   4   2    0
-     0.38339        1.17        0.52        0.22        2.92   1   1   9    0
-     0.39370       33.16       33.23        0.51       -0.13   3   3   1    0
-     0.40053       41.70       41.95        0.83       -0.30   0   0  10    0
-     0.40242       79.15       78.62        1.22        0.44   4   0   4    0
-     0.40262       78.00       78.40        0.85       -0.47   0   4   4    0
-     0.40471        5.20        4.74        0.26        1.80   3   1   7    0
-     0.40481        5.34        4.74        0.19        3.14   1   3   7    0
-     0.40968       70.94       70.50        0.81        0.54   3   3   3    0
-     0.41278       86.51       90.93        0.93       -4.76   4   2   0    0
-     0.41292       88.28       91.10        1.44       -1.97   2   4   0    0
-     0.41334      216.20      217.59        1.85       -0.75   2   2   8    0
-     0.42048       12.25       13.47        0.46       -2.66   4   2   2    0
-     0.42062       13.25       13.53        0.38       -0.74   2   4   2    0
-     0.43989      151.09      157.77        1.40       -4.77   3   3   5    0
-     0.44049      488.22      485.92        5.40        0.43   4   0   6    0
-     0.44067      481.95      486.45        3.77       -1.19   0   4   6    0
-     0.44102       20.24       18.60        0.62        2.66   2   0  10    0
-     0.44106       21.02       18.63        0.43        5.55   0   2  10    0
-     0.44278       64.28       65.65        0.76       -1.80   4   2   4    0
-     0.44291       64.70       65.50        0.82       -0.98   2   4   4    0
-     0.45952      378.59      376.09        2.14        1.17   1   1  11    0
-     0.46382        8.78        6.42        0.36        6.55   3   1   9    0
-     0.46390        7.17        6.42        0.26        2.86   1   3   9    0
-     0.47229       26.74       26.43        0.53        0.58   5   1   1    0
-     0.47255       27.30       26.43        0.50        1.74   1   5   1    0
-     0.47764       62.20       67.02        1.60       -3.01   4   2   6    0
-     0.47776       64.26       66.88        0.79       -3.35   2   4   6    0
-     0.47812       44.89       43.83        0.64        1.66   2   2  10    0
-     0.48064      274.38      269.45        3.24        1.52   0   0  12    0
-     0.48167        3.51        3.75        0.16       -1.56   3   3   7    0
-     0.48569       88.19       93.00        0.96       -5.01   5   1   3    0
-     0.48594       85.80       92.99        0.95       -7.55   1   5   3    0
-     0.48882      244.38      237.56        2.95        2.31   4   0   8    0
-     0.48899      235.10      237.20        4.14       -0.51   0   4   8    0
-     0.51143      127.14      127.85        1.19       -0.60   5   1   5    0
-     0.51167      127.36      127.86        1.89       -0.26   1   5   5    0
-     0.51486       16.62       16.60        0.81        0.02   2   0  12    0
-     0.51490       17.57       16.62        0.38        2.48   0   2  12    0
-     0.52222      648.03      662.59        4.99       -2.92   4   4   0    0
-     0.52255        2.54        1.32        0.76        1.61   4   2   8    0
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+     0.63125      344.56      348.94        3.99       -1.10   6   2   6    0
+     0.63151      346.21      349.70        5.38       -0.65   2   6   6    0
+     0.63356        4.80        6.40        0.22       -7.16   4   2  12    0
+     0.63365        4.89        6.45        0.22       -7.05   2   4  12    0
+     0.63976        5.34        5.21        2.92        0.04   6   0   8    0
+     0.64004        5.69        5.31        0.77        0.50   0   6   8    0
+     0.64085      116.66      120.25        1.33       -2.69   0   0  16    0
+     0.64465      203.73      213.29        3.28       -2.92   5   1  11    0
+     0.64484      204.74      213.30        1.82       -4.70   1   5  11    0
+     0.64778       20.84       16.84        0.48        8.28   5   3   9    0
+     0.64790       19.52       16.84        0.48        5.63   3   5   9    0
+     0.65155        9.12       10.20        0.56       -1.92   3   3  13    0
+     0.65381       25.20       24.32        0.52        1.70   7   1   1    0
+     0.65400       23.95       24.27        0.51       -0.62   5   5   1    0
+     0.65418       26.30       24.33        0.52        3.78   1   7   1    0
+     0.65813       47.67       43.99        0.69        5.34   4   4  10    0
+     0.66356       91.29       96.00        1.40       -3.36   7   1   3    0
+     0.66374       64.10       61.35        0.81        3.40   5   5   3    0
+     0.66392       90.23       95.98        0.99       -5.79   1   7   3    0
+     0.66562       58.68       58.52        1.83        0.09   6   4   0    0
+     0.66577       59.47       58.69        0.79        1.00   4   6   0    0
+     0.66588      222.11      214.85        3.38        2.15   6   2   8    0
+     0.66612      218.34      214.28        4.33        0.94   2   6   8    0
+     0.66690       11.89       10.73        0.59        1.96   2   0  16    0
+     0.66693       13.83       10.75        1.87        1.65   0   2  16    0
+     0.66794        7.77        8.27        0.29       -1.75   3   1  15    0
+     0.66800        8.18        8.27        0.29       -0.31   1   3  15    0
+     0.67043        4.80        5.19        0.22       -1.74   6   4   2    0
+     0.67058        5.60        5.24        0.23        1.52   4   6   2    0
+     0.67135      124.32      112.45        1.99        5.98   4   0  14    0
+     0.67147      121.38      112.68        1.23        7.05   0   4  14    0
+     0.68262       98.73       98.58        1.53        0.09   7   1   5    0
+     0.68280      104.89      103.99        1.59        0.57   5   5   5    0
+     0.68298       99.75       98.60        1.08        1.07   1   7   5    0
+     0.68341        8.91        7.53        1.07        1.29   6   0  10    0
+     0.68367        8.50        7.65        0.85        1.01   0   6  10    0
+     0.68463       33.99       33.75        0.67        0.36   6   4   4    0
+     0.68478       33.30       33.62        1.07       -0.30   4   6   4    0
+     0.69200      108.60      107.86        1.17        0.63   2   2  16    0
+     0.69331      248.42      248.27        2.45        0.06   1   1  17    0
+     0.69555      204.07      208.36        1.87       -2.29   5   3  11    0
+     0.69567      206.47      208.36        1.89       -1.00   3   5  11    0
+     0.69629       19.97       15.43        1.26        3.61   4   2  14    0
+     0.69638       19.41       15.37        0.52        7.74   2   4  14    0
+     0.70184       11.33       10.91        0.46        0.92   5   1  13    0
+     0.70201       12.61       10.91        1.20        1.42   1   5  13    0
+     0.70405       22.13       21.03        0.51        2.16   7   3   1    0
+     0.70434       22.25       21.03        1.28        0.95   3   7   1    0
+     0.70768       41.98       41.80        0.92        0.19   6   4   6    0
+     0.70782       41.98       41.66        1.19        0.27   4   6   6    0
+     0.70792       43.99       44.09        0.71       -0.13   6   2  10    0
+     0.70815       44.72       44.33        0.71        0.55   2   6  10    0
+     0.70973      130.24      143.03        1.95       -6.57   4   4  12    0
+     0.71026        5.05        5.21        0.35       -0.44   7   1   7    0
+     0.71043        4.31        4.03        0.66        0.41   5   5   7    0
+     0.71060        6.11        5.21        0.44        2.09   1   7   7    0
+     0.71311       69.55       72.08        1.93       -1.31   7   3   3    0
+     0.71339       71.62       72.08        0.90       -0.51   3   7   3    0
+     0.71719        3.89        5.05        0.34       -3.42   3   3  15    0
+     0.72096       37.99       37.00        0.66        1.50   0   0  18    0
+     0.73088       88.08       88.63        1.05       -0.52   7   3   5    0
+     0.73116       89.58       88.63        1.05        0.90   3   7   5    0
+     0.73323        0.93        2.30        0.59       -2.33   6   0  12    0
+     0.73348        1.89        2.37        0.34       -1.41   0   6  12    0
+     0.73968       94.87       97.28        1.56       -1.55   0   4  16    0
+     0.74424        3.75        3.21        0.38        1.45   0   2  18    0
+     0.78830       27.30       22.01        0.91        5.81   0   6  14    0
+     0.80106        4.37        5.66        0.45       -2.84   0   0  20    0
+     0.81007       17.45       21.84        0.84       -5.24   0   4  18    0
+     0.82208        2.85        2.33        0.45        1.16   0   2  20    0
+     0.83667       19.64       19.68        0.88       -0.05   9   1   1    0
+     0.84715        7.65        7.54        0.48        0.22   0   6  16    0
+     0.88117      137.61      135.89        2.28        0.75   0   0  22    0
+     0.88212       18.63       14.82        1.03        3.71   0   4  20    0
+     0.90032       97.21       91.91        1.83        2.89   0   2  22    0
+     0.90926        1.86        0.22        0.79        2.06   0   6  18    0
diff --git a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.sum b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.sum
index bdd9f7626..b5c860b21 100644
--- a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.sum
+++ b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio.sum
@@ -1,17 +1,17 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 06/06/2026  Time: 20:12:49.197                              
+    Date: 09/06/2026  Time: 12:42:05.090                              
 
  => PCR file code: prnio
- => DAT file code: prnio.dat            -> Relative contribution: 1.0000                                                            
+ => DAT file code: prnio                -> Relative contribution: 1.0000                                                            
  => Title: Pr2NiO4:Sr Test of Xtal option of FullProf
 
  ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
@@ -20,16 +20,16 @@
  =>-------> Pattern#  1
  => Integrated intensities or Flipping Ratios as observations for phase: 1
  => Crystal Structure Refinement for phase: 1
- => The density (volumic mass) of phase 1 is:    7.381 g/cm3
+ => The density (volumic mass) of phase 1 is:    7.393 g/cm3
 
  ==> RESULTS OF REFINEMENT:
 
 
- => No. of fitted parameters:   20
+ => No. of fitted parameters:    0
 
 
 ------------------------------------------------------------------------------
- => Phase No.  1  Pr2NiO4:Sr                             F m m m             
+ => Phase No.  1 Pr2NiO4:Sr                              F m m m             
 ------------------------------------------------------------------------------
 
  =>  No. of reflections for pattern#:   1:   198  
@@ -38,12 +38,12 @@
  ==> ATOM PARAMETERS:
 
   Name      x     sx       y     sy       z      sz      B   sB   occ. socc.  Mult
- Pr      0.50000(   0)  0.50000(   0)  0.35973(   7)  0.000(  0)  2.000(  0)    8
+ Pr      0.50000(   0)  0.50000(   0)  0.35973(   0)  0.000(  0)  2.000(  0)    8
  Ni      0.00000(   0)  0.00000(   0)  0.00000(   0)  0.000(  0)  1.000(  0)    4
  O1      0.25000(   0)  0.25000(   0)  0.00000(   0)  0.000(  0)  2.000(  0)    8
- O2      0.00000(   0)  0.00000(   0)  0.17385(   9)  0.000(  0)  1.403( 41)    8
- Oi      0.25000(   0)  0.25000(   0)  0.25000(   0)  0.000(  0)  0.149( 10)    8
- Od      0.07347( 134)  0.07347( 134)  0.17349(  65)  2.314(149)  0.597( 41)   32
+ O2      0.00000(   0)  0.00000(   0)  0.17385(   0)  0.000(  0)  1.446(  0)    8
+ Oi      0.25000(   0)  0.25000(   0)  0.25000(   0)  0.000(  0)  0.149(  0)    8
+ Od      0.07347(   0)  0.07347(   0)  0.17349(   0)  2.314(  0)  0.597(  0)   32
 
  =>   Anisotropic Betas*1E04
 
@@ -51,15 +51,15 @@
             sB11    sB22    sB33    sB12    sB13    sB23  
 
  Pr         71.0    71.0     8.4     0.0     0.0     0.0
-             1.7     1.7     0.4     0.0     0.0     0.0
+             0.0     0.0     0.0     0.0     0.0     0.0
  Ni         28.0    28.0    15.1     0.0     0.0     0.0
-             1.3     1.3     0.3     0.0     0.0     0.0
+             0.0     0.0     0.0     0.0     0.0     0.0
  O1         50.0    50.0    41.3   -14.0     0.0     0.0
-             1.6     1.6     0.5     1.4     0.0     0.0
+             0.0     0.0     0.0     0.0     0.0     0.0
  O2        171.6   171.6     4.5     0.0     0.0     0.0
-             4.1     4.1     0.6     0.0     0.0     0.0
- Oi        104.4   117.7     9.8     0.0     0.0     0.0
-            37.0    36.2     4.6     0.0     0.0     0.0
+             0.0     0.0     0.0     0.0     0.0     0.0
+ Oi        103.3   117.6    10.0     0.0     0.0     0.0
+             0.0     0.0     0.0     0.0     0.0     0.0
  Od          0.0     0.0     0.0     0.0     0.0     0.0
              0.0     0.0     0.0     0.0     0.0     0.0
 
@@ -70,7 +70,7 @@
 
 
  => Scale factors ( 1: 6): 
-             0.062978        0.000566
+             0.062980        0.000000
              0.000000        0.000000
              0.000000        0.000000
              0.000000        0.000000
@@ -79,7 +79,7 @@
 
 
  => Extinction parameters: 
-             0.000105        0.002144
+             0.000105        0.000000
              0.000000        0.000000
              0.000000        0.000000
              0.000000        0.000000
@@ -88,20 +88,20 @@
              0.000000        0.000000
 
 
- => Global user-weigthed Chi2 (Bragg contrib.):   9.96    
+ => Global user-weigthed Chi2 (Bragg contrib.):   10.9    
 
      -----------------------------------------------------
      R-Factors and Chi2 for Integrated Intensity Pattern #  1
      -----------------------------------------------------
  => Phase:  1
- =>    RF2 -factor :   2.90    
- =>    RF2w-factor :   4.36    
- =>    RF  -factor :   2.08    
- =>    Chi2(Intens):   9.96    
+ =>    RF2 -factor :   3.21    
+ =>    RF2w-factor :   4.78    
+ =>    RF  -factor :   2.26    
+ =>    Chi2(Intens):   10.9    
  =>  N_eff Reflect.:    198 with I >  0.00 sigma
 
  
-              CPU Time:     0.211 seconds
-                            0.004 minutes
+              CPU Time:     0.156 seconds
+                            0.003 minutes
 
- => Run finished at:     Date: 06/06/2026  Time: 20:12:49.406                              
+ => Run finished at:     Date: 09/06/2026  Time: 12:42:05.243                              
diff --git a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio1.fst b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio1.fst
index c1e95fccd..4a7af0e92 100644
--- a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio1.fst
+++ b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio1.fst
@@ -1,5 +1,5 @@
 !   FILE for FullProf Studio: generated automatically by FullProf 
-!Title:  Pr2NiO4:Sr                                                                                                                                                         
+!Title: Pr2NiO4:Sr                                                                                                                                                          
 SPACEG F m m m             
 CELL     5.417799    5.414600   12.483399  90.0000  90.0000  90.0000  
 box -0.26 1.26 -0.26 1.26 -0.26 1.26                                           
diff --git a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio1.sub b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio1.sub
index b6020c5cb..fd8c96d07 100644
--- a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio1.sub
+++ b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio1.sub
@@ -1,4 +1,4 @@
-! Phase No.:   1  Pr2NiO4:Sr                   
+! Phase No.:   1 Pr2NiO4:Sr                    
       0.184577        0.0000
       0.369154        0.0000
       0.553730        0.0000
@@ -15,7 +15,7 @@
       0.665773        0.0000
       0.136560        0.0000
       0.294594        0.0000
-      0.472293        0.0000
+      0.472292        0.0000
       0.653813        0.0000
       0.836672        0.0000
       0.294731        0.0000
@@ -45,13 +45,13 @@
       0.177434        0.0000
       0.315626        0.0000
       0.485689        0.0000
-      0.663556        0.0000
+      0.663555        0.0000
       0.315754        0.0000
       0.409680        0.0000
       0.551463        0.0000
       0.713108        0.0000
       0.485938        0.0000
-      0.551610        0.0000
+      0.551609        0.0000
       0.663737        0.0000
       0.663919        0.0000
       0.713391        0.0000
@@ -100,7 +100,7 @@
       0.707819        0.0000
       0.309278        0.0000
       0.404710        0.0000
-      0.547782        0.0000
+      0.547781        0.0000
       0.710265        0.0000
       0.404809        0.0000
       0.481672        0.0000
@@ -119,7 +119,7 @@
       0.665882        0.0000
       0.488987        0.0000
       0.522663        0.0000
-      0.612685        0.0000
+      0.612684        0.0000
       0.640041        0.0000
       0.666124        0.0000
       0.383392        0.0000
diff --git a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio_bad_refl.hkl b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio_bad_refl.hkl
index b292cf6ee..356ef2c33 100644
--- a/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio_bad_refl.hkl
+++ b/docs/docs/verification/fullprof/sg-neut-cwl_pr2nio4/prnio_bad_refl.hkl
@@ -3,14 +3,16 @@
   => PCR-file:prnio.pcr
   => F2cal= scale*Corr*F2
    h   k   l ivk   cod      F2obs         F2cal       Dif/sig   
-   0   6   2   0     1       6.1752       4.6709        6.3852
-   1   5   3   0     1      85.8034      92.9854       -7.5513
-   1   7   3   0     1      90.2271      97.6344       -7.4581
-   0   0   6   0     1     709.6598     762.8400       -7.1550
-   0   2   8   0     1       1.7384       0.7326        8.7086
-   2   4   8   0     1       2.4593       1.3365        6.6558
-   3   1   9   0     1       8.7768       6.4174        6.5539
-   3   3   9   0     1      12.0632       8.8826        8.3350
-   5   3   9   0     1      20.8409      17.6626        6.5763
-   0   0  14   0     1      74.9432      83.1051       -9.7293
-   2   4  14   0     1      19.4111      16.3338        5.8940
+   4   2   0   0     1      86.5118      93.6541       -7.6906
+   3   3   5   0     1     151.0913     160.2779       -6.5642
+   0   0   6   0     1     709.6598     773.4445       -8.5818
+   0   2   8   0     1       1.7384       0.9926        6.4569
+   2   4   8   0     1       2.4593       1.1007        8.0532
+   3   1   9   0     1       8.7768       5.6798        8.6027
+   3   3   9   0     1      12.0632       8.1202       10.3327
+   5   3   9   0     1      20.8409      16.8374        8.2836
+   4   2  12   0     1       4.7972       6.4038       -7.1597
+   2   4  12   0     1       4.8908       6.4461       -7.0534
+   4   4  12   0     1     130.2426     143.0321       -6.5671
+   0   4  14   0     1     121.3788     112.6800        7.0510
+   2   4  14   0     1      19.4111      15.3704        7.7392

From cd7c3aac3c8de5b36f95c81a78845db473aeb5f5 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 14:25:09 +0200
Subject: [PATCH 16/41] Record sample-absorption modelling gap in open issues

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 docs/dev/issues/open.md | 49 +++++++++++++++++++++++++++++++++++++++++
 1 file changed, 49 insertions(+)

diff --git a/docs/dev/issues/open.md b/docs/dev/issues/open.md
index 052a4a254..0470b40ad 100644
--- a/docs/dev/issues/open.md
+++ b/docs/dev/issues/open.md
@@ -10,6 +10,54 @@ implemented, remove it from this file and update
 
 ---
 
+## 119. 🟡 Model Sample Absorption (Debye–Scherrer, μR)
+
+**Type:** Physics / Engine feature
+
+The calculators (`cryspy`, `crysfml`) apply no sample-absorption
+correction. For a cylindrical sample in Debye–Scherrer geometry this is
+an angle-dependent intensity factor that boosts high-angle peaks. The
+LaB₆ verification reference (`pd-neut-cwl_tch-fcj_lab6`) was refined in
+FullProf with `μR = 0.7`; the unmodelled correction is the *entire*
+intensity residual on the companion `pd-neut-cwl_tch-fcj_abs_lab6` page
+(≈5% profile difference), while the `μR = 0` page passes to corr 0.9999.
+
+**Correction (Hewat, Debye–Scherrer), validated to 4 decimals against
+FullProf output:**
+
+```
+A(θ) = exp( -(1.7133 − 0.0368·sin²θ)·μR + (0.0927 + 0.375·sin²θ)·μR² )
+```
+
+A Lobanov–Alte-da-Veiga form covers `μR > 3`.
+
+**Implementation sketch:**
+
+- Add a `μR` instrument parameter for CWL powder (Debye–Scherrer).
+- `crysfml`: CrysFML08 already implements this — reachable via
+  `Lorentz_abs_CW(..., ilor='DBS', cabs='HEWAT', tmv=μR)` through
+  pycrysfml.
+- `cryspy`: multiply each reflection's intensity by `A(θ_hkl)`,
+  analogous to the existing Lorentz factor (one extra term).
+
+**Note:** absorption is nearly degenerate with Biso + scale (its angle
+term is linear in `sin²θ`, like the Debye–Waller), so refining Biso can
+partly absorb it — but that biases Biso, so an explicit correction is
+preferable.
+
+**References:**
+
+- A. W. Hewat, *Acta Cryst.* A35 (1979) 248 — cylindrical absorption.
+- N. N. Lobanov & L. Alte da Veiga, 6th EPDIC, Abstract P12-16 (1998).
+- CrysFML08:
+  [`Src/CFML_Powder/Pow_Lorentz_Absorption.f90`](https://code.ill.fr/scientific-software/CrysFML2008/-/blob/master/Src/CFML_Powder/Pow_Lorentz_Absorption.f90),
+  `Lorentz_abs_CW`.
+- FullProf `μR`: `.pcr` Lambda line field 7; `iabscor = 2` selects HEWAT.
+
+**Depends on:** adding a `μR` instrument parameter.
+
+---
+
 ## 3. 🟡 Rebuild Joint-Fit Weights on Every Fit
 
 **Type:** Fragility
@@ -2286,3 +2334,4 @@ parameters (cryspy/crysfml) before the second item can be wired through.
 | 116 | Add a static type checker to the quality gate     | 🟡 Med   | Tooling / Correctness        |
 | 117 | Live-notebook Plotly: loader vs native mimetype   | 🟢 Low   | Display / Architecture       |
 | 118 | Plotly empty rows in the VISA JupyterLab          | 🟢 Low   | Display / Environment        |
+| 119 | Model sample absorption (Debye–Scherrer μR)       | 🟡 Med   | Physics / Engine feature     |

From 82e59d5a0d746dcc96a40ccb9f877a7a326ef47a Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 14:47:45 +0200
Subject: [PATCH 17/41] Rework CWL verification notebooks to canonical
 structure

Per-engine sections with constants read from the frozen .pcr, Load
reference after Define-structure, explicit project.analysis.calculate(),
engine-specific profiles (SyCos/SySin, TCH-FCJ) in their own sections.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 .../verification/pd-neut-cwl_pv_lbco.ipynb    | 189 ++++------
 docs/docs/verification/pd-neut-cwl_pv_lbco.py | 126 +++----
 .../verification/pd-neut-cwl_pv_pbso4.ipynb   | 190 ++++------
 .../docs/verification/pd-neut-cwl_pv_pbso4.py | 127 +++----
 ...d-neut-cwl_tch-fcj-noabs-nosldl_lab6.ipynb | 308 +++++++++++++++
 .../pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.py  | 167 ++++++++
 .../pd-neut-cwl_tch-fcj-noabs_lab6.ipynb      | 357 ++++++++++++++++++
 .../pd-neut-cwl_tch-fcj-noabs_lab6.py         | 204 ++++++++++
 .../pd-neut-cwl_tch-fcj_lab6.ipynb            | 346 +++++++----------
 .../verification/pd-neut-cwl_tch-fcj_lab6.py  | 243 ++++++------
 10 files changed, 1547 insertions(+), 710 deletions(-)
 create mode 100644 docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.ipynb
 create mode 100644 docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.py
 create mode 100644 docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.ipynb
 create mode 100644 docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.py

diff --git a/docs/docs/verification/pd-neut-cwl_pv_lbco.ipynb b/docs/docs/verification/pd-neut-cwl_pv_lbco.ipynb
index 2eefb5f20..1222f6bd3 100644
--- a/docs/docs/verification/pd-neut-cwl_pv_lbco.ipynb
+++ b/docs/docs/verification/pd-neut-cwl_pv_lbco.ipynb
@@ -24,16 +24,7 @@
    "id": "1",
    "metadata": {},
    "source": [
-    "# LBCO — neutron powder, constant wavelength, pseudo-Voigt\n",
-    "\n",
-    "This page calculates the **same** La₀.₅Ba₀.₅CoO₃ diffraction pattern\n",
-    "with each EasyDiffraction engine (`cryspy`, `crysfml`) and compares\n",
-    "both against a **FullProf** reference profile — all on identical input\n",
-    "parameters and **without any fitting**. It doubles as a regression\n",
-    "check run by `pixi run script-tests`.\n",
-    "\n",
-    "The structure is defined directly in code; the experiment grid and the\n",
-    "FullProf reference come from the project's reference profile."
+    "# LBCO — neutron powder, constant wavelength, pseudo-Voigt"
    ]
   },
   {
@@ -54,10 +45,7 @@
    "id": "3",
    "metadata": {},
    "source": [
-    "## Load the FullProf reference\n",
-    "\n",
-    "The reference profile provides both the x-grid the engines calculate on\n",
-    "and the reference curve `calc_fullprof`."
+    "## Build the project"
    ]
   },
   {
@@ -67,12 +55,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "reference_dir = verify.bundled_reference_dir() / 'pd-neut-cwl_pv_lbco'\n",
-    "x, calc_fullprof = verify.load_columned_profile(\n",
-    "    str(reference_dir / 'lbco1.sub'),\n",
-    "    skip_rows=1,\n",
-    "    columns=(0, 1),\n",
-    ")"
+    "project = ed.Project()"
    ]
   },
   {
@@ -80,7 +63,7 @@
    "id": "5",
    "metadata": {},
    "source": [
-    "## Build the project"
+    "## Define the structure"
    ]
   },
   {
@@ -89,28 +72,6 @@
    "id": "6",
    "metadata": {},
    "outputs": [],
-   "source": [
-    "project = ed.Project()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "7",
-   "metadata": {},
-   "source": [
-    "## Define the structure\n",
-    "\n",
-    "La₀.₅Ba₀.₅CoO₃ is a cubic perovskite (`P m -3 m`). La and Ba share the\n",
-    "A site at the origin (½ each); the oxygen site is refined slightly\n",
-    "oxygen-deficient. Atomic displacements are isotropic (B)."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "8",
-   "metadata": {},
-   "outputs": [],
    "source": [
     "structure = StructureFactory.from_scratch(name='lbco')\n",
     "\n",
@@ -126,7 +87,7 @@
     "    fract_z=0.0,  # FullProf Z\n",
     "    occupancy=0.5,  # FullProf Occ\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=0.57499,  # FullProf Biso\n",
+    "    adp_iso=0.57511,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='Ba',  # FullProf Atom\n",
@@ -136,7 +97,7 @@
     "    fract_z=0.0,  # FullProf Z\n",
     "    occupancy=0.5,  # FullProf Occ\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=0.57499,  # FullProf Biso\n",
+    "    adp_iso=0.57511,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='Co',  # FullProf Atom\n",
@@ -146,7 +107,7 @@
     "    fract_z=0.5,  # FullProf Z\n",
     "    occupancy=1.0,  # FullProf Occ\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=0.26014,  # FullProf Biso\n",
+    "    adp_iso=0.26023,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='O',  # FullProf Atom\n",
@@ -156,12 +117,47 @@
     "    fract_z=0.5,  # FullProf Z\n",
     "    occupancy=0.97856,  # FullProf Occ\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=1.36658,  # FullProf Biso\n",
+    "    adp_iso=1.36662,  # FullProf Biso\n",
     ")\n",
     "\n",
     "project.structures.add(structure)"
    ]
   },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "## Load the FullProf reference"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "FULLPROF_PROJECT_DIR = 'pd-neut-cwl_pv_lbco'\n",
+    "FULLPROF_PRF_FILE = 'lbco.prf'\n",
+    "FULLPROF_BAC_FILE = 'lbco.bac'\n",
+    "FULLPROF_ZERO = 0.62040  # FullProf Zero\n",
+    "FULLPROF_SCALE = 9.405870  # FullProf Scale\n",
+    "FULLPROF_WAVELENGTH = 1.494000  # FullProf Lambda\n",
+    "FULLPROF_U = 0.081547  # FullProf U\n",
+    "FULLPROF_V = -0.115345  # FullProf V\n",
+    "FULLPROF_W = 0.121125  # FullProf W\n",
+    "FULLPROF_X = 0.0  # FullProf X\n",
+    "FULLPROF_Y = 0.083038  # FullProf Y\n",
+    "\n",
+    "x, calc_fullprof = verify.load_fullprof_calc_profile(\n",
+    "    FULLPROF_PROJECT_DIR,\n",
+    "    FULLPROF_PRF_FILE,\n",
+    "    FULLPROF_BAC_FILE,\n",
+    "    FULLPROF_ZERO,\n",
+    ")"
+   ]
+  },
   {
    "cell_type": "markdown",
    "id": "9",
@@ -186,16 +182,17 @@
     ")\n",
     "verify.set_reference_as_measured(experiment, x, calc_fullprof)\n",
     "\n",
-    "experiment.linked_phases.create(id='lbco', scale=9.405646)  # FullProf Scale\n",
+    "experiment.linked_phases.create(id='lbco', scale=FULLPROF_SCALE)\n",
     "\n",
-    "experiment.instrument.setup_wavelength = 1.494000  # FullProf Lambda\n",
+    "experiment.instrument.setup_wavelength = FULLPROF_WAVELENGTH\n",
+    "experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO\n",
     "\n",
     "experiment.peak.type = 'pseudo-voigt'\n",
-    "experiment.peak.broad_gauss_u = 0.081547  # FullProf U\n",
-    "experiment.peak.broad_gauss_v = -0.115345  # FullProf V\n",
-    "experiment.peak.broad_gauss_w = 0.121119  # FullProf W\n",
-    "experiment.peak.broad_lorentz_x = 0.0  # FullProf X\n",
-    "experiment.peak.broad_lorentz_y = 0.083044  # FullProf Y\n",
+    "experiment.peak.broad_gauss_u = FULLPROF_U\n",
+    "experiment.peak.broad_gauss_v = FULLPROF_V\n",
+    "experiment.peak.broad_gauss_w = FULLPROF_W\n",
+    "experiment.peak.broad_lorentz_x = FULLPROF_X\n",
+    "experiment.peak.broad_lorentz_y = FULLPROF_Y\n",
     "\n",
     "project.experiments.add(experiment)"
    ]
@@ -205,7 +202,7 @@
    "id": "11",
    "metadata": {},
    "source": [
-    "## Calculate the pattern with each engine"
+    "## ed-cryspy VS FullProf"
    ]
   },
   {
@@ -215,102 +212,68 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')\n",
-    "calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "13",
-   "metadata": {},
-   "source": [
-    "## Compare each engine against FullProf\n",
+    "experiment.calculator.type = 'cryspy'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_cryspy = experiment.data.intensity_calc\n",
     "\n",
-    "The FullProf reference is drawn as a solid blue line and the engine as\n",
-    "a red dashed line, with the residual below and closeness metrics in the\n",
-    "top-left corner."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "14",
-   "metadata": {},
-   "outputs": [],
-   "source": [
     "project.display.pattern_comparison(\n",
     "    'lbco',\n",
     "    reference=calc_fullprof,\n",
     "    candidate=calc_ed_cryspy,\n",
     "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "15",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.display.pattern_comparison(\n",
-    "    'lbco',\n",
-    "    reference=calc_fullprof,\n",
-    "    candidate=calc_ed_crysfml,\n",
-    "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (crysfml)',\n",
+    "    candidate_label='ed-cryspy',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "16",
+   "id": "13",
    "metadata": {},
    "source": [
-    "## Compare the two engines with each other"
+    "## ed-crysfml VS FullProf"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "17",
+   "id": "14",
    "metadata": {},
    "outputs": [],
    "source": [
+    "experiment.calculator.type = 'crysfml'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml = experiment.data.intensity_calc\n",
+    "\n",
     "project.display.pattern_comparison(\n",
     "    'lbco',\n",
-    "    reference=calc_ed_crysfml,\n",
-    "    candidate=calc_ed_cryspy,\n",
-    "    reference_label='EasyDiffraction (crysfml)',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_crysfml,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-crysfml',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "18",
+   "id": "15",
    "metadata": {},
    "source": [
-    "## Agreement check\n",
-    "\n",
-    "A single table scores every pair against documented tolerances, with a\n",
-    "check/cross per metric; an out-of-tolerance value is shown in red and\n",
-    "raises, so the page fails as a regression check."
+    "## Agreement check"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "19",
+   "id": "16",
    "metadata": {},
    "outputs": [],
    "source": [
-    "verify.assert_patterns_agree([\n",
-    "    ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),\n",
-    "    ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),\n",
-    "    ('cryspy vs crysfml', calc_ed_cryspy, calc_ed_crysfml),\n",
-    "])"
+    "verify.assert_patterns_agree(\n",
+    "    [\n",
+    "        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),\n",
+    "        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),\n",
+    "    ],\n",
+    ")"
    ]
   }
  ],
diff --git a/docs/docs/verification/pd-neut-cwl_pv_lbco.py b/docs/docs/verification/pd-neut-cwl_pv_lbco.py
index 92abfe918..0047b1c4d 100644
--- a/docs/docs/verification/pd-neut-cwl_pv_lbco.py
+++ b/docs/docs/verification/pd-neut-cwl_pv_lbco.py
@@ -1,14 +1,5 @@
 # %% [markdown]
 # # LBCO — neutron powder, constant wavelength, pseudo-Voigt
-#
-# This page calculates the **same** La₀.₅Ba₀.₅CoO₃ diffraction pattern
-# with each EasyDiffraction engine (`cryspy`, `crysfml`) and compares
-# both against a **FullProf** reference profile — all on identical input
-# parameters and **without any fitting**. It doubles as a regression
-# check run by `pixi run script-tests`.
-#
-# The structure is defined directly in code; the experiment grid and the
-# FullProf reference come from the project's reference profile.
 
 # %%
 import easydiffraction as ed
@@ -16,20 +7,6 @@
 from easydiffraction import StructureFactory
 from easydiffraction.analysis import verification as verify
 
-# %% [markdown]
-# ## Load the FullProf reference
-#
-# The reference profile provides both the x-grid the engines calculate on
-# and the reference curve `calc_fullprof`.
-
-# %%
-reference_dir = verify.bundled_reference_dir() / 'pd-neut-cwl_pv_lbco'
-x, calc_fullprof = verify.load_columned_profile(
-    str(reference_dir / 'lbco1.sub'),
-    skip_rows=1,
-    columns=(0, 1),
-)
-
 # %% [markdown]
 # ## Build the project
 
@@ -38,10 +15,6 @@
 
 # %% [markdown]
 # ## Define the structure
-#
-# La₀.₅Ba₀.₅CoO₃ is a cubic perovskite (`P m -3 m`). La and Ba share the
-# A site at the origin (½ each); the oxygen site is refined slightly
-# oxygen-deficient. Atomic displacements are isotropic (B).
 
 # %%
 structure = StructureFactory.from_scratch(name='lbco')
@@ -58,7 +31,7 @@
     fract_z=0.0,  # FullProf Z
     occupancy=0.5,  # FullProf Occ
     adp_type='Biso',  # FullProf Biso
-    adp_iso=0.57499,  # FullProf Biso
+    adp_iso=0.57511,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='Ba',  # FullProf Atom
@@ -68,7 +41,7 @@
     fract_z=0.0,  # FullProf Z
     occupancy=0.5,  # FullProf Occ
     adp_type='Biso',  # FullProf Biso
-    adp_iso=0.57499,  # FullProf Biso
+    adp_iso=0.57511,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='Co',  # FullProf Atom
@@ -78,7 +51,7 @@
     fract_z=0.5,  # FullProf Z
     occupancy=1.0,  # FullProf Occ
     adp_type='Biso',  # FullProf Biso
-    adp_iso=0.26014,  # FullProf Biso
+    adp_iso=0.26023,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='O',  # FullProf Atom
@@ -88,11 +61,34 @@
     fract_z=0.5,  # FullProf Z
     occupancy=0.97856,  # FullProf Occ
     adp_type='Biso',  # FullProf Biso
-    adp_iso=1.36658,  # FullProf Biso
+    adp_iso=1.36662,  # FullProf Biso
 )
 
 project.structures.add(structure)
 
+# %% [markdown]
+# ## Load the FullProf reference
+
+# %%
+FULLPROF_PROJECT_DIR = 'pd-neut-cwl_pv_lbco'
+FULLPROF_PRF_FILE = 'lbco.prf'
+FULLPROF_BAC_FILE = 'lbco.bac'
+FULLPROF_ZERO = 0.62040  # FullProf Zero
+FULLPROF_SCALE = 9.405870  # FullProf Scale
+FULLPROF_WAVELENGTH = 1.494000  # FullProf Lambda
+FULLPROF_U = 0.081547  # FullProf U
+FULLPROF_V = -0.115345  # FullProf V
+FULLPROF_W = 0.121125  # FullProf W
+FULLPROF_X = 0.0  # FullProf X
+FULLPROF_Y = 0.083038  # FullProf Y
+
+x, calc_fullprof = verify.load_fullprof_calc_profile(
+    FULLPROF_PROJECT_DIR,
+    FULLPROF_PRF_FILE,
+    FULLPROF_BAC_FILE,
+    FULLPROF_ZERO,
+)
+
 # %% [markdown]
 # ## Create the experiment
 
@@ -106,73 +102,59 @@
 )
 verify.set_reference_as_measured(experiment, x, calc_fullprof)
 
-experiment.linked_phases.create(id='lbco', scale=9.405646)  # FullProf Scale
+experiment.linked_phases.create(id='lbco', scale=FULLPROF_SCALE)
 
-experiment.instrument.setup_wavelength = 1.494000  # FullProf Lambda
+experiment.instrument.setup_wavelength = FULLPROF_WAVELENGTH
+experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO
 
 experiment.peak.type = 'pseudo-voigt'
-experiment.peak.broad_gauss_u = 0.081547  # FullProf U
-experiment.peak.broad_gauss_v = -0.115345  # FullProf V
-experiment.peak.broad_gauss_w = 0.121119  # FullProf W
-experiment.peak.broad_lorentz_x = 0.0  # FullProf X
-experiment.peak.broad_lorentz_y = 0.083044  # FullProf Y
+experiment.peak.broad_gauss_u = FULLPROF_U
+experiment.peak.broad_gauss_v = FULLPROF_V
+experiment.peak.broad_gauss_w = FULLPROF_W
+experiment.peak.broad_lorentz_x = FULLPROF_X
+experiment.peak.broad_lorentz_y = FULLPROF_Y
 
 project.experiments.add(experiment)
 
 # %% [markdown]
-# ## Calculate the pattern with each engine
+# ## ed-cryspy VS FullProf
 
 # %%
-calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')
-calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')
-
-# %% [markdown]
-# ## Compare each engine against FullProf
-#
-# The FullProf reference is drawn as a solid blue line and the engine as
-# a red dashed line, with the residual below and closeness metrics in the
-# top-left corner.
+experiment.calculator.type = 'cryspy'
+project.analysis.calculate()
+calc_ed_cryspy = experiment.data.intensity_calc
 
-# %%
 project.display.pattern_comparison(
     'lbco',
     reference=calc_fullprof,
     candidate=calc_ed_cryspy,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (cryspy)',
+    candidate_label='ed-cryspy',
 )
 
+# %% [markdown]
+# ## ed-crysfml VS FullProf
+
 # %%
+experiment.calculator.type = 'crysfml'
+project.analysis.calculate()
+calc_ed_crysfml = experiment.data.intensity_calc
+
 project.display.pattern_comparison(
     'lbco',
     reference=calc_fullprof,
     candidate=calc_ed_crysfml,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (crysfml)',
-)
-
-# %% [markdown]
-# ## Compare the two engines with each other
-
-# %%
-project.display.pattern_comparison(
-    'lbco',
-    reference=calc_ed_crysfml,
-    candidate=calc_ed_cryspy,
-    reference_label='EasyDiffraction (crysfml)',
-    candidate_label='EasyDiffraction (cryspy)',
+    candidate_label='ed-crysfml',
 )
 
 # %% [markdown]
 # ## Agreement check
-#
-# A single table scores every pair against documented tolerances, with a
-# check/cross per metric; an out-of-tolerance value is shown in red and
-# raises, so the page fails as a regression check.
 
 # %%
-verify.assert_patterns_agree([
-    ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),
-    ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),
-    ('cryspy vs crysfml', calc_ed_cryspy, calc_ed_crysfml),
-])
+verify.assert_patterns_agree(
+    [
+        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),
+        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),
+    ],
+)
diff --git a/docs/docs/verification/pd-neut-cwl_pv_pbso4.ipynb b/docs/docs/verification/pd-neut-cwl_pv_pbso4.ipynb
index cb5681c35..23f517d8a 100644
--- a/docs/docs/verification/pd-neut-cwl_pv_pbso4.ipynb
+++ b/docs/docs/verification/pd-neut-cwl_pv_pbso4.ipynb
@@ -24,19 +24,7 @@
    "id": "1",
    "metadata": {},
    "source": [
-    "# PbSO₄ — neutron powder, constant wavelength, pseudo-Voigt\n",
-    "\n",
-    "This page calculates the **same** PbSO₄ diffraction pattern with each\n",
-    "EasyDiffraction engine (`cryspy`, `crysfml`) and compares both against a\n",
-    "**FullProf** reference profile — all on identical input parameters and\n",
-    "**without any fitting**. It doubles as a regression check run by\n",
-    "`pixi run script-tests`.\n",
-    "\n",
-    "The peak shape here is a plain **pseudo-Voigt** (no asymmetry); a\n",
-    "companion page repeats the comparison with a pseudo-Voigt plus\n",
-    "empirical axial-divergence asymmetry. The structure is defined directly\n",
-    "in code, and the experiment grid and FullProf reference come from the\n",
-    "project's reference profile."
+    "# PbSO₄ — neutron powder, constant wavelength, pseudo-Voigt"
    ]
   },
   {
@@ -56,28 +44,6 @@
    "cell_type": "markdown",
    "id": "3",
    "metadata": {},
-   "source": [
-    "## Load the FullProf reference\n",
-    "\n",
-    "The reference profile provides both the x-grid the engines calculate on\n",
-    "and the reference curve `calc_fullprof`."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "4",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "reference_dir = verify.bundled_reference_dir() / 'pd-neut-cwl_pv_pbso4'\n",
-    "x, calc_fullprof = verify.load_fullprof_profile(str(reference_dir / 'pbso41.sub'))"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "5",
-   "metadata": {},
    "source": [
     "## Build the project"
    ]
@@ -85,7 +51,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "6",
+   "id": "4",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -94,7 +60,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7",
+   "id": "5",
    "metadata": {},
    "source": [
     "## Define the structure"
@@ -103,7 +69,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "8",
+   "id": "6",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -111,8 +77,8 @@
     "\n",
     "structure.space_group.name_h_m = 'P n m a'  # FullProf Space group symbol\n",
     "\n",
-    "structure.cell.length_a = 8.477994  # FullProf a\n",
-    "structure.cell.length_b = 5.396484  # FullProf b\n",
+    "structure.cell.length_a = 8.477992  # FullProf a\n",
+    "structure.cell.length_b = 5.396482  # FullProf b\n",
     "structure.cell.length_c = 6.957715  # FullProf c\n",
     "\n",
     "structure.atom_sites.create(\n",
@@ -122,7 +88,7 @@
     "    fract_y=0.25,  # FullProf Y\n",
     "    fract_z=0.16709,  # FullProf Z\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=1.38041,  # FullProf Biso\n",
+    "    adp_iso=1.38058,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='S',  # FullProf Atom\n",
@@ -131,7 +97,7 @@
     "    fract_y=0.25,  # FullProf Y\n",
     "    fract_z=0.68401,  # FullProf Z\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=0.36153,  # FullProf Biso\n",
+    "    adp_iso=0.36192,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='O1',  # FullProf Atom\n",
@@ -140,7 +106,7 @@
     "    fract_y=0.25,  # FullProf Y\n",
     "    fract_z=0.59542,  # FullProf Z\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=2.03647,  # FullProf Biso\n",
+    "    adp_iso=2.03661,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='O2',  # FullProf Atom\n",
@@ -149,7 +115,7 @@
     "    fract_y=0.25,  # FullProf Y\n",
     "    fract_z=0.54359,  # FullProf Z\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=1.50403,  # FullProf Biso\n",
+    "    adp_iso=1.50417,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='O3',  # FullProf Atom\n",
@@ -158,12 +124,47 @@
     "    fract_y=0.02713,  # FullProf Y\n",
     "    fract_z=0.80863,  # FullProf Z\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=1.34335,  # FullProf Biso\n",
+    "    adp_iso=1.34347,  # FullProf Biso\n",
     ")\n",
     "\n",
     "project.structures.add(structure)"
    ]
   },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "## Load the FullProf reference"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "FULLPROF_PROJECT_DIR = 'pd-neut-cwl_pv_pbso4'\n",
+    "FULLPROF_PRF_FILE = 'pbso4.prf'\n",
+    "FULLPROF_BAC_FILE = 'pbso4.bac'\n",
+    "FULLPROF_ZERO = -0.14357  # FullProf Zero\n",
+    "FULLPROF_SCALE = 1.467900  # FullProf Scale\n",
+    "FULLPROF_WAVELENGTH = 1.912000  # FullProf Lambda\n",
+    "FULLPROF_U = 0.139488  # FullProf U\n",
+    "FULLPROF_V = -0.414074  # FullProf V\n",
+    "FULLPROF_W = 0.388200  # FullProf W\n",
+    "FULLPROF_X = 0.0  # FullProf X\n",
+    "FULLPROF_Y = 0.086383  # FullProf Y\n",
+    "\n",
+    "x, calc_fullprof = verify.load_fullprof_calc_profile(\n",
+    "    FULLPROF_PROJECT_DIR,\n",
+    "    FULLPROF_PRF_FILE,\n",
+    "    FULLPROF_BAC_FILE,\n",
+    "    FULLPROF_ZERO,\n",
+    ")"
+   ]
+  },
   {
    "cell_type": "markdown",
    "id": "9",
@@ -188,16 +189,17 @@
     ")\n",
     "verify.set_reference_as_measured(experiment, x, calc_fullprof)\n",
     "\n",
-    "experiment.linked_phases.create(id='pbso4', scale=1.467791)  # FullProf Scale\n",
+    "experiment.linked_phases.create(id='pbso4', scale=FULLPROF_SCALE)\n",
     "\n",
-    "experiment.instrument.setup_wavelength = 1.912  # FullProf Lambda\n",
+    "experiment.instrument.setup_wavelength = FULLPROF_WAVELENGTH\n",
+    "experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO\n",
     "\n",
     "experiment.peak.type = 'pseudo-voigt'\n",
-    "experiment.peak.broad_gauss_u = 0.139504  # FullProf U\n",
-    "experiment.peak.broad_gauss_v = -0.414070  # FullProf V\n",
-    "experiment.peak.broad_gauss_w = 0.388228  # FullProf W\n",
-    "experiment.peak.broad_lorentz_x = 0.0  # FullProf X\n",
-    "experiment.peak.broad_lorentz_y = 0.086387  # FullProf Y\n",
+    "experiment.peak.broad_gauss_u = FULLPROF_U\n",
+    "experiment.peak.broad_gauss_v = FULLPROF_V\n",
+    "experiment.peak.broad_gauss_w = FULLPROF_W\n",
+    "experiment.peak.broad_lorentz_x = FULLPROF_X\n",
+    "experiment.peak.broad_lorentz_y = FULLPROF_Y\n",
     "\n",
     "project.experiments.add(experiment)"
    ]
@@ -207,7 +209,7 @@
    "id": "11",
    "metadata": {},
    "source": [
-    "## Calculate the pattern with each engine"
+    "## ed-cryspy VS FullProf"
    ]
   },
   {
@@ -217,102 +219,68 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')\n",
-    "calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "13",
-   "metadata": {},
-   "source": [
-    "## Compare each engine against FullProf\n",
+    "experiment.calculator.type = 'cryspy'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_cryspy = experiment.data.intensity_calc\n",
     "\n",
-    "The FullProf reference is drawn as a solid blue line and the engine as\n",
-    "a red dashed line, with the residual below and closeness metrics in the\n",
-    "top-left corner."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "14",
-   "metadata": {},
-   "outputs": [],
-   "source": [
     "project.display.pattern_comparison(\n",
     "    'pbso4',\n",
     "    reference=calc_fullprof,\n",
     "    candidate=calc_ed_cryspy,\n",
     "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "15",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.display.pattern_comparison(\n",
-    "    'pbso4',\n",
-    "    reference=calc_fullprof,\n",
-    "    candidate=calc_ed_crysfml,\n",
-    "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (crysfml)',\n",
+    "    candidate_label='ed-cryspy',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "16",
+   "id": "13",
    "metadata": {},
    "source": [
-    "## Compare the two engines with each other"
+    "## ed-crysfml VS FullProf"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "17",
+   "id": "14",
    "metadata": {},
    "outputs": [],
    "source": [
+    "experiment.calculator.type = 'crysfml'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml = experiment.data.intensity_calc\n",
+    "\n",
     "project.display.pattern_comparison(\n",
     "    'pbso4',\n",
-    "    reference=calc_ed_crysfml,\n",
-    "    candidate=calc_ed_cryspy,\n",
-    "    reference_label='EasyDiffraction (crysfml)',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_crysfml,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-crysfml',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "18",
+   "id": "15",
    "metadata": {},
    "source": [
-    "## Agreement check\n",
-    "\n",
-    "A single table scores every pair against documented tolerances, with a\n",
-    "check/cross per metric; an out-of-tolerance value is shown in red and\n",
-    "raises, so the page fails as a regression check."
+    "## Agreement check"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "19",
+   "id": "16",
    "metadata": {},
    "outputs": [],
    "source": [
-    "verify.assert_patterns_agree([\n",
-    "    ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),\n",
-    "    ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),\n",
-    "    ('cryspy vs crysfml', calc_ed_cryspy, calc_ed_crysfml),\n",
-    "])"
+    "verify.assert_patterns_agree(\n",
+    "    [\n",
+    "        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),\n",
+    "        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),\n",
+    "    ],\n",
+    ")"
    ]
   }
  ],
diff --git a/docs/docs/verification/pd-neut-cwl_pv_pbso4.py b/docs/docs/verification/pd-neut-cwl_pv_pbso4.py
index ea5836a52..7f73aa3a5 100644
--- a/docs/docs/verification/pd-neut-cwl_pv_pbso4.py
+++ b/docs/docs/verification/pd-neut-cwl_pv_pbso4.py
@@ -1,17 +1,5 @@
 # %% [markdown]
 # # PbSO₄ — neutron powder, constant wavelength, pseudo-Voigt
-#
-# This page calculates the **same** PbSO₄ diffraction pattern with each
-# EasyDiffraction engine (`cryspy`, `crysfml`) and compares both against a
-# **FullProf** reference profile — all on identical input parameters and
-# **without any fitting**. It doubles as a regression check run by
-# `pixi run script-tests`.
-#
-# The peak shape here is a plain **pseudo-Voigt** (no asymmetry); a
-# companion page repeats the comparison with a pseudo-Voigt plus
-# empirical axial-divergence asymmetry. The structure is defined directly
-# in code, and the experiment grid and FullProf reference come from the
-# project's reference profile.
 
 # %%
 import easydiffraction as ed
@@ -19,16 +7,6 @@
 from easydiffraction import StructureFactory
 from easydiffraction.analysis import verification as verify
 
-# %% [markdown]
-# ## Load the FullProf reference
-#
-# The reference profile provides both the x-grid the engines calculate on
-# and the reference curve `calc_fullprof`.
-
-# %%
-reference_dir = verify.bundled_reference_dir() / 'pd-neut-cwl_pv_pbso4'
-x, calc_fullprof = verify.load_fullprof_profile(str(reference_dir / 'pbso41.sub'))
-
 # %% [markdown]
 # ## Build the project
 
@@ -43,8 +21,8 @@
 
 structure.space_group.name_h_m = 'P n m a'  # FullProf Space group symbol
 
-structure.cell.length_a = 8.477994  # FullProf a
-structure.cell.length_b = 5.396484  # FullProf b
+structure.cell.length_a = 8.477992  # FullProf a
+structure.cell.length_b = 5.396482  # FullProf b
 structure.cell.length_c = 6.957715  # FullProf c
 
 structure.atom_sites.create(
@@ -54,7 +32,7 @@
     fract_y=0.25,  # FullProf Y
     fract_z=0.16709,  # FullProf Z
     adp_type='Biso',  # FullProf Biso
-    adp_iso=1.38041,  # FullProf Biso
+    adp_iso=1.38058,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='S',  # FullProf Atom
@@ -63,7 +41,7 @@
     fract_y=0.25,  # FullProf Y
     fract_z=0.68401,  # FullProf Z
     adp_type='Biso',  # FullProf Biso
-    adp_iso=0.36153,  # FullProf Biso
+    adp_iso=0.36192,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='O1',  # FullProf Atom
@@ -72,7 +50,7 @@
     fract_y=0.25,  # FullProf Y
     fract_z=0.59542,  # FullProf Z
     adp_type='Biso',  # FullProf Biso
-    adp_iso=2.03647,  # FullProf Biso
+    adp_iso=2.03661,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='O2',  # FullProf Atom
@@ -81,7 +59,7 @@
     fract_y=0.25,  # FullProf Y
     fract_z=0.54359,  # FullProf Z
     adp_type='Biso',  # FullProf Biso
-    adp_iso=1.50403,  # FullProf Biso
+    adp_iso=1.50417,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='O3',  # FullProf Atom
@@ -90,11 +68,34 @@
     fract_y=0.02713,  # FullProf Y
     fract_z=0.80863,  # FullProf Z
     adp_type='Biso',  # FullProf Biso
-    adp_iso=1.34335,  # FullProf Biso
+    adp_iso=1.34347,  # FullProf Biso
 )
 
 project.structures.add(structure)
 
+# %% [markdown]
+# ## Load the FullProf reference
+
+# %%
+FULLPROF_PROJECT_DIR = 'pd-neut-cwl_pv_pbso4'
+FULLPROF_PRF_FILE = 'pbso4.prf'
+FULLPROF_BAC_FILE = 'pbso4.bac'
+FULLPROF_ZERO = -0.14357  # FullProf Zero
+FULLPROF_SCALE = 1.467900  # FullProf Scale
+FULLPROF_WAVELENGTH = 1.912000  # FullProf Lambda
+FULLPROF_U = 0.139488  # FullProf U
+FULLPROF_V = -0.414074  # FullProf V
+FULLPROF_W = 0.388200  # FullProf W
+FULLPROF_X = 0.0  # FullProf X
+FULLPROF_Y = 0.086383  # FullProf Y
+
+x, calc_fullprof = verify.load_fullprof_calc_profile(
+    FULLPROF_PROJECT_DIR,
+    FULLPROF_PRF_FILE,
+    FULLPROF_BAC_FILE,
+    FULLPROF_ZERO,
+)
+
 # %% [markdown]
 # ## Create the experiment
 
@@ -108,73 +109,59 @@
 )
 verify.set_reference_as_measured(experiment, x, calc_fullprof)
 
-experiment.linked_phases.create(id='pbso4', scale=1.467791)  # FullProf Scale
+experiment.linked_phases.create(id='pbso4', scale=FULLPROF_SCALE)
 
-experiment.instrument.setup_wavelength = 1.912  # FullProf Lambda
+experiment.instrument.setup_wavelength = FULLPROF_WAVELENGTH
+experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO
 
 experiment.peak.type = 'pseudo-voigt'
-experiment.peak.broad_gauss_u = 0.139504  # FullProf U
-experiment.peak.broad_gauss_v = -0.414070  # FullProf V
-experiment.peak.broad_gauss_w = 0.388228  # FullProf W
-experiment.peak.broad_lorentz_x = 0.0  # FullProf X
-experiment.peak.broad_lorentz_y = 0.086387  # FullProf Y
+experiment.peak.broad_gauss_u = FULLPROF_U
+experiment.peak.broad_gauss_v = FULLPROF_V
+experiment.peak.broad_gauss_w = FULLPROF_W
+experiment.peak.broad_lorentz_x = FULLPROF_X
+experiment.peak.broad_lorentz_y = FULLPROF_Y
 
 project.experiments.add(experiment)
 
 # %% [markdown]
-# ## Calculate the pattern with each engine
+# ## ed-cryspy VS FullProf
 
 # %%
-calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')
-calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')
-
-# %% [markdown]
-# ## Compare each engine against FullProf
-#
-# The FullProf reference is drawn as a solid blue line and the engine as
-# a red dashed line, with the residual below and closeness metrics in the
-# top-left corner.
+experiment.calculator.type = 'cryspy'
+project.analysis.calculate()
+calc_ed_cryspy = experiment.data.intensity_calc
 
-# %%
 project.display.pattern_comparison(
     'pbso4',
     reference=calc_fullprof,
     candidate=calc_ed_cryspy,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (cryspy)',
+    candidate_label='ed-cryspy',
 )
 
+# %% [markdown]
+# ## ed-crysfml VS FullProf
+
 # %%
+experiment.calculator.type = 'crysfml'
+project.analysis.calculate()
+calc_ed_crysfml = experiment.data.intensity_calc
+
 project.display.pattern_comparison(
     'pbso4',
     reference=calc_fullprof,
     candidate=calc_ed_crysfml,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (crysfml)',
-)
-
-# %% [markdown]
-# ## Compare the two engines with each other
-
-# %%
-project.display.pattern_comparison(
-    'pbso4',
-    reference=calc_ed_crysfml,
-    candidate=calc_ed_cryspy,
-    reference_label='EasyDiffraction (crysfml)',
-    candidate_label='EasyDiffraction (cryspy)',
+    candidate_label='ed-crysfml',
 )
 
 # %% [markdown]
 # ## Agreement check
-#
-# A single table scores every pair against documented tolerances, with a
-# check/cross per metric; an out-of-tolerance value is shown in red and
-# raises, so the page fails as a regression check.
 
 # %%
-verify.assert_patterns_agree([
-    ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),
-    ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),
-    ('cryspy vs crysfml', calc_ed_cryspy, calc_ed_crysfml),
-])
+verify.assert_patterns_agree(
+    [
+        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),
+        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),
+    ],
+)
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.ipynb b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.ipynb
new file mode 100644
index 000000000..2442d0715
--- /dev/null
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.ipynb
@@ -0,0 +1,308 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "0",
+   "metadata": {
+    "tags": [
+     "hide-in-docs"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "# Check whether easydiffraction is installed; install it if needed.\n",
+    "# Required for remote environments such as Google Colab.\n",
+    "import importlib.util\n",
+    "\n",
+    "if importlib.util.find_spec('easydiffraction') is None:\n",
+    "    %pip install easydiffraction"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "# LaB₆ — neutron powder, constant wavelength, SyCos/SySin"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import easydiffraction as ed\n",
+    "from easydiffraction import ExperimentFactory\n",
+    "from easydiffraction import StructureFactory\n",
+    "from easydiffraction.analysis import verification as verify"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Build the project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = ed.Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "## Define the structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure = StructureFactory.from_scratch(name='lab6')\n",
+    "structure.space_group.name_h_m = 'P m -3 m'  # FullProf Space group symbol\n",
+    "structure.cell.length_a = 4.156885  # FullProf a\n",
+    "structure.atom_sites.create(\n",
+    "    label='La',  # FullProf Atom\n",
+    "    type_symbol='La',  # FullProf Typ\n",
+    "    fract_x=0.0,  # FullProf X\n",
+    "    fract_y=0.0,  # FullProf Y\n",
+    "    fract_z=0.0,  # FullProf Z\n",
+    "    adp_type='Biso',  # FullProf Biso\n",
+    "    adp_iso=0.25812,  # FullProf Biso\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='B',  # FullProf Atom\n",
+    "    type_symbol='11B',  # FullProf \"B11     0.66500    0.00000   0\"\n",
+    "    fract_x=0.19972,  # FullProf X\n",
+    "    fract_y=0.5,  # FullProf Y\n",
+    "    fract_z=0.5,  # FullProf Z\n",
+    "    adp_type='Biso',  # FullProf Biso\n",
+    "    adp_iso=0.11925,  # FullProf Biso\n",
+    ")\n",
+    "\n",
+    "project.structures.add(structure)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "## Load the FullProf reference"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "FULLPROF_PROJECT_DIR = 'pd-neut-cwl_tch-fcj_lab6'\n",
+    "FULLPROF_PRF_FILE = 'ECH0030684_LaB6_1p622A_noAbs_noSLDL.prf'\n",
+    "FULLPROF_BAC_FILE = 'ECH0030684_LaB6_1p622A_noAbs_noSLDL.bac'\n",
+    "FULLPROF_ZERO = -0.45778  # FullProf Zero\n",
+    "FULLPROF_SCALE = 42.98374  # FullProf Scale\n",
+    "FULLPROF_WAVELENGTH = 1.623899  # FullProf Lambda\n",
+    "FULLPROF_U = 0.143431  # FullProf U\n",
+    "FULLPROF_V = -0.523140  # FullProf V\n",
+    "FULLPROF_W = 0.590412  # FullProf W\n",
+    "FULLPROF_X = 0.0  # FullProf X\n",
+    "FULLPROF_Y = 0.054515  # FullProf Y\n",
+    "FULLPROF_SYCOS = 0.01153  # FullProf SyCos\n",
+    "FULLPROF_SYSIN = 0.24334  # FullProf SySin\n",
+    "\n",
+    "x, calc_fullprof = verify.load_fullprof_calc_profile(\n",
+    "    FULLPROF_PROJECT_DIR,\n",
+    "    FULLPROF_PRF_FILE,\n",
+    "    FULLPROF_BAC_FILE,\n",
+    "    FULLPROF_ZERO,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9",
+   "metadata": {},
+   "source": [
+    "## Create the experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment = ExperimentFactory.from_scratch(\n",
+    "    name='lab6',\n",
+    "    sample_form='powder',\n",
+    "    beam_mode='constant wavelength',\n",
+    "    radiation_probe='neutron',\n",
+    "    scattering_type='bragg',\n",
+    ")\n",
+    "verify.set_reference_as_measured(experiment, x, calc_fullprof)\n",
+    "\n",
+    "experiment.linked_phases.create(id='lab6', scale=FULLPROF_SCALE)\n",
+    "\n",
+    "experiment.instrument.setup_wavelength = FULLPROF_WAVELENGTH\n",
+    "experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO\n",
+    "# SyCos/SySin (cryspy-only) are set in the cryspy section below.\n",
+    "\n",
+    "experiment.peak.broad_gauss_u = FULLPROF_U\n",
+    "experiment.peak.broad_gauss_v = FULLPROF_V\n",
+    "experiment.peak.broad_gauss_w = FULLPROF_W\n",
+    "experiment.peak.broad_lorentz_x = FULLPROF_X\n",
+    "experiment.peak.broad_lorentz_y = FULLPROF_Y\n",
+    "\n",
+    "project.experiments.add(experiment)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "## ed-cryspy VS FullProf"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.instrument.calib_sample_displacement = FULLPROF_SYCOS\n",
+    "experiment.instrument.calib_sample_transparency = FULLPROF_SYSIN\n",
+    "\n",
+    "experiment.calculator.type = 'cryspy'\n",
+    "\n",
+    "project.analysis.calculate()\n",
+    "\n",
+    "calc_ed_cryspy = experiment.data.intensity_calc\n",
+    "\n",
+    "project.display.pattern_comparison(\n",
+    "    'lab6',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_cryspy,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-cryspy',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "13",
+   "metadata": {},
+   "source": [
+    "## ed-crysfml VS FullProf"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.calculator.type = 'crysfml'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml = experiment.data.intensity_calc\n",
+    "\n",
+    "project.display.pattern_comparison(\n",
+    "    'lab6',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_crysfml,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-crysfml',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "15",
+   "metadata": {},
+   "source": [
+    "## Fit ed-crysfml to FullProf"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.linked_phases['lab6'].scale.free = True\n",
+    "experiment.instrument.calib_twotheta_offset.free = True\n",
+    "\n",
+    "project.analysis.minimizer.type = 'lmfit'\n",
+    "project.analysis.fit()\n",
+    "\n",
+    "experiment.calculator.type = 'crysfml'\n",
+    "\n",
+    "project.analysis.calculate()\n",
+    "\n",
+    "calc_ed_crysfml_refined = experiment.data.intensity_calc\n",
+    "\n",
+    "project.display.pattern_comparison(\n",
+    "    'lab6',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_crysfml_refined,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-crysfml (refined)',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "17",
+   "metadata": {},
+   "source": [
+    "## Agreement check"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "verify.assert_patterns_agree(\n",
+    "    [\n",
+    "        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),\n",
+    "        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),\n",
+    "    ],\n",
+    "    raise_on_failure=False,\n",
+    ")"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.py b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.py
new file mode 100644
index 000000000..390497438
--- /dev/null
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.py
@@ -0,0 +1,167 @@
+# %% [markdown]
+# # LaB₆ — neutron powder, constant wavelength, SyCos/SySin
+
+# %%
+import easydiffraction as ed
+from easydiffraction import ExperimentFactory
+from easydiffraction import StructureFactory
+from easydiffraction.analysis import verification as verify
+
+# %% [markdown]
+# ## Build the project
+
+# %%
+project = ed.Project()
+
+# %% [markdown]
+# ## Define the structure
+
+# %%
+structure = StructureFactory.from_scratch(name='lab6')
+structure.space_group.name_h_m = 'P m -3 m'  # FullProf Space group symbol
+structure.cell.length_a = 4.156885  # FullProf a
+structure.atom_sites.create(
+    label='La',  # FullProf Atom
+    type_symbol='La',  # FullProf Typ
+    fract_x=0.0,  # FullProf X
+    fract_y=0.0,  # FullProf Y
+    fract_z=0.0,  # FullProf Z
+    adp_type='Biso',  # FullProf Biso
+    adp_iso=0.25812,  # FullProf Biso
+)
+structure.atom_sites.create(
+    label='B',  # FullProf Atom
+    type_symbol='11B',  # FullProf "B11     0.66500    0.00000   0"
+    fract_x=0.19972,  # FullProf X
+    fract_y=0.5,  # FullProf Y
+    fract_z=0.5,  # FullProf Z
+    adp_type='Biso',  # FullProf Biso
+    adp_iso=0.11925,  # FullProf Biso
+)
+
+project.structures.add(structure)
+
+# %% [markdown]
+# ## Load the FullProf reference
+
+# %%
+FULLPROF_PROJECT_DIR = 'pd-neut-cwl_tch-fcj_lab6'
+FULLPROF_PRF_FILE = 'ECH0030684_LaB6_1p622A_noAbs_noSLDL.prf'
+FULLPROF_BAC_FILE = 'ECH0030684_LaB6_1p622A_noAbs_noSLDL.bac'
+FULLPROF_ZERO = -0.45778  # FullProf Zero
+FULLPROF_SCALE = 42.98374  # FullProf Scale
+FULLPROF_WAVELENGTH = 1.623899  # FullProf Lambda
+FULLPROF_U = 0.143431  # FullProf U
+FULLPROF_V = -0.523140  # FullProf V
+FULLPROF_W = 0.590412  # FullProf W
+FULLPROF_X = 0.0  # FullProf X
+FULLPROF_Y = 0.054515  # FullProf Y
+FULLPROF_SYCOS = 0.01153  # FullProf SyCos
+FULLPROF_SYSIN = 0.24334  # FullProf SySin
+
+x, calc_fullprof = verify.load_fullprof_calc_profile(
+    FULLPROF_PROJECT_DIR,
+    FULLPROF_PRF_FILE,
+    FULLPROF_BAC_FILE,
+    FULLPROF_ZERO,
+)
+
+# %% [markdown]
+# ## Create the experiment
+
+# %%
+experiment = ExperimentFactory.from_scratch(
+    name='lab6',
+    sample_form='powder',
+    beam_mode='constant wavelength',
+    radiation_probe='neutron',
+    scattering_type='bragg',
+)
+verify.set_reference_as_measured(experiment, x, calc_fullprof)
+
+experiment.linked_phases.create(id='lab6', scale=FULLPROF_SCALE)
+
+experiment.instrument.setup_wavelength = FULLPROF_WAVELENGTH
+experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO
+# SyCos/SySin (cryspy-only) are set in the cryspy section below.
+
+experiment.peak.broad_gauss_u = FULLPROF_U
+experiment.peak.broad_gauss_v = FULLPROF_V
+experiment.peak.broad_gauss_w = FULLPROF_W
+experiment.peak.broad_lorentz_x = FULLPROF_X
+experiment.peak.broad_lorentz_y = FULLPROF_Y
+
+project.experiments.add(experiment)
+
+# %% [markdown]
+# ## ed-cryspy VS FullProf
+
+# %%
+experiment.instrument.calib_sample_displacement = FULLPROF_SYCOS
+experiment.instrument.calib_sample_transparency = FULLPROF_SYSIN
+
+experiment.calculator.type = 'cryspy'
+
+project.analysis.calculate()
+
+calc_ed_cryspy = experiment.data.intensity_calc
+
+project.display.pattern_comparison(
+    'lab6',
+    reference=calc_fullprof,
+    candidate=calc_ed_cryspy,
+    reference_label='FullProf',
+    candidate_label='ed-cryspy',
+)
+
+# %% [markdown]
+# ## ed-crysfml VS FullProf
+
+# %%
+experiment.calculator.type = 'crysfml'
+project.analysis.calculate()
+calc_ed_crysfml = experiment.data.intensity_calc
+
+project.display.pattern_comparison(
+    'lab6',
+    reference=calc_fullprof,
+    candidate=calc_ed_crysfml,
+    reference_label='FullProf',
+    candidate_label='ed-crysfml',
+)
+
+# %% [markdown]
+# ## Fit ed-crysfml to FullProf
+
+# %%
+experiment.linked_phases['lab6'].scale.free = True
+experiment.instrument.calib_twotheta_offset.free = True
+
+project.analysis.minimizer.type = 'lmfit'
+project.analysis.fit()
+
+experiment.calculator.type = 'crysfml'
+
+project.analysis.calculate()
+
+calc_ed_crysfml_refined = experiment.data.intensity_calc
+
+project.display.pattern_comparison(
+    'lab6',
+    reference=calc_fullprof,
+    candidate=calc_ed_crysfml_refined,
+    reference_label='FullProf',
+    candidate_label='ed-crysfml (refined)',
+)
+
+# %% [markdown]
+# ## Agreement check
+
+# %%
+verify.assert_patterns_agree(
+    [
+        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),
+        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),
+    ],
+    raise_on_failure=False,
+)
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.ipynb b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.ipynb
new file mode 100644
index 000000000..635ff0ae3
--- /dev/null
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.ipynb
@@ -0,0 +1,357 @@
+{
+ "cells": [
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "0",
+   "metadata": {
+    "tags": [
+     "hide-in-docs"
+    ]
+   },
+   "outputs": [],
+   "source": [
+    "# Check whether easydiffraction is installed; install it if needed.\n",
+    "# Required for remote environments such as Google Colab.\n",
+    "import importlib.util\n",
+    "\n",
+    "if importlib.util.find_spec('easydiffraction') is None:\n",
+    "    %pip install easydiffraction"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "1",
+   "metadata": {},
+   "source": [
+    "# LaB₆ — neutron powder, constant wavelength, FCJ asymmetry"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "2",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "import easydiffraction as ed\n",
+    "from easydiffraction import ExperimentFactory\n",
+    "from easydiffraction import StructureFactory\n",
+    "from easydiffraction.analysis import verification as verify"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "3",
+   "metadata": {},
+   "source": [
+    "## Build the project"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "4",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "project = ed.Project()"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "5",
+   "metadata": {},
+   "source": [
+    "## Define the structure"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "6",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "structure = StructureFactory.from_scratch(name='lab6')\n",
+    "structure.space_group.name_h_m = 'P m -3 m'  # FullProf Space group symbol\n",
+    "structure.cell.length_a = 4.156885  # FullProf a\n",
+    "structure.atom_sites.create(\n",
+    "    label='La',  # FullProf Atom\n",
+    "    type_symbol='La',  # FullProf Typ\n",
+    "    fract_x=0.0,  # FullProf X\n",
+    "    fract_y=0.0,  # FullProf Y\n",
+    "    fract_z=0.0,  # FullProf Z\n",
+    "    adp_type='Biso',  # FullProf Biso\n",
+    "    adp_iso=0.32249,  # FullProf Biso\n",
+    ")\n",
+    "structure.atom_sites.create(\n",
+    "    label='B',  # FullProf Atom\n",
+    "    type_symbol='11B',  # FullProf \"B11\"\n",
+    "    fract_x=0.19978,  # FullProf X\n",
+    "    fract_y=0.5,  # FullProf Y\n",
+    "    fract_z=0.5,  # FullProf Z\n",
+    "    adp_type='Biso',  # FullProf Biso\n",
+    "    adp_iso=0.16910,  # FullProf Biso\n",
+    ")\n",
+    "\n",
+    "project.structures.add(structure)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "## Load the FullProf reference"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "FULLPROF_PROJECT_DIR = 'pd-neut-cwl_tch-fcj_lab6'\n",
+    "FULLPROF_PRF_FILE = 'ECH0030684_LaB6_1p622A_noAbs.prf'\n",
+    "FULLPROF_BAC_FILE = 'ECH0030684_LaB6_1p622A_noAbs.bac'\n",
+    "FULLPROF_ZERO = -0.21148  # FullProf Zero\n",
+    "FULLPROF_SCALE = 44.51785  # FullProf Scale\n",
+    "FULLPROF_WAVELENGTH = 1.622528  # FullProf Lambda\n",
+    "FULLPROF_U = 0.089670  # FullProf U\n",
+    "FULLPROF_V = -0.375862  # FullProf V\n",
+    "FULLPROF_W = 0.476309  # FullProf W\n",
+    "FULLPROF_X = 0.0  # FullProf X\n",
+    "FULLPROF_Y = 0.052528  # FullProf Y\n",
+    "FULLPROF_SYCOS = 0.05290  # FullProf SyCos\n",
+    "FULLPROF_SYSIN = 0.09073  # FullProf SySin\n",
+    "FULLPROF_S_L = 0.08000  # FullProf S_L\n",
+    "FULLPROF_D_L = 0.08000  # FullProf D_L\n",
+    "\n",
+    "x, calc_fullprof = verify.load_fullprof_calc_profile(\n",
+    "    FULLPROF_PROJECT_DIR,\n",
+    "    FULLPROF_PRF_FILE,\n",
+    "    FULLPROF_BAC_FILE,\n",
+    "    FULLPROF_ZERO,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9",
+   "metadata": {},
+   "source": [
+    "## Create the experiment"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "10",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment = ExperimentFactory.from_scratch(\n",
+    "    name='lab6',\n",
+    "    sample_form='powder',\n",
+    "    beam_mode='constant wavelength',\n",
+    "    radiation_probe='neutron',\n",
+    "    scattering_type='bragg',\n",
+    ")\n",
+    "verify.set_reference_as_measured(experiment, x, calc_fullprof)\n",
+    "\n",
+    "experiment.linked_phases.create(id='lab6', scale=FULLPROF_SCALE)\n",
+    "\n",
+    "experiment.instrument.setup_wavelength = FULLPROF_WAVELENGTH\n",
+    "experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO\n",
+    "\n",
+    "experiment.peak.broad_gauss_u = FULLPROF_U\n",
+    "experiment.peak.broad_gauss_v = FULLPROF_V\n",
+    "experiment.peak.broad_gauss_w = FULLPROF_W\n",
+    "experiment.peak.broad_lorentz_x = FULLPROF_X\n",
+    "experiment.peak.broad_lorentz_y = FULLPROF_Y\n",
+    "# Engine-specific corrections are applied in each engine's section below:\n",
+    "# SyCos/SySin (cryspy only) and the FCJ S_L/D_L asymmetry (crysfml only).\n",
+    "\n",
+    "project.experiments.add(experiment)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "11",
+   "metadata": {},
+   "source": [
+    "## ed-cryspy VS FullProf"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "12",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.instrument.calib_sample_displacement = FULLPROF_SYCOS\n",
+    "experiment.instrument.calib_sample_transparency = FULLPROF_SYSIN\n",
+    "\n",
+    "experiment.calculator.type = 'cryspy'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_cryspy = experiment.data.intensity_calc\n",
+    "\n",
+    "project.display.pattern_comparison(\n",
+    "    'lab6',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_cryspy,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-cryspy',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "13",
+   "metadata": {},
+   "source": [
+    "## Fit ed-cryspy to FullProf"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "14",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.linked_phases['lab6'].scale.free = True\n",
+    "experiment.instrument.calib_twotheta_offset.free = True\n",
+    "experiment.instrument.calib_sample_displacement.free = True\n",
+    "experiment.instrument.calib_sample_transparency.free = True\n",
+    "\n",
+    "project.analysis.minimizer.type = 'lmfit'\n",
+    "project.analysis.fit()\n",
+    "\n",
+    "experiment.calculator.type = 'cryspy'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_cryspy_refined = experiment.data.intensity_calc\n",
+    "\n",
+    "project.display.pattern_comparison(\n",
+    "    'lab6',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_cryspy_refined,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-cryspy (refined)',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "15",
+   "metadata": {},
+   "source": [
+    "## ed-crysfml VS FullProf"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "16",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.calculator.type = 'crysfml'\n",
+    "experiment.peak.type = 'thompson-cox-hastings'\n",
+    "experiment.linked_phases['lab6'].scale = FULLPROF_SCALE\n",
+    "experiment.linked_phases['lab6'].scale.free = False\n",
+    "experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO\n",
+    "experiment.instrument.calib_twotheta_offset.free = False\n",
+    "experiment.instrument.calib_sample_displacement.free = False\n",
+    "experiment.instrument.calib_sample_transparency.free = False\n",
+    "experiment.peak.broad_gauss_u = FULLPROF_U\n",
+    "experiment.peak.broad_gauss_v = FULLPROF_V\n",
+    "experiment.peak.broad_gauss_w = FULLPROF_W\n",
+    "experiment.peak.broad_lorentz_x = FULLPROF_X\n",
+    "experiment.peak.broad_lorentz_y = FULLPROF_Y\n",
+    "experiment.peak.asym_fcj_1 = FULLPROF_S_L\n",
+    "experiment.peak.asym_fcj_2 = FULLPROF_D_L\n",
+    "\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml = experiment.data.intensity_calc\n",
+    "\n",
+    "project.display.pattern_comparison(\n",
+    "    'lab6',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_crysfml,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-crysfml',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "17",
+   "metadata": {},
+   "source": [
+    "## Fit ed-crysfml to FullProf"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "18",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "experiment.linked_phases['lab6'].scale.free = True\n",
+    "experiment.instrument.calib_twotheta_offset.free = True\n",
+    "\n",
+    "project.analysis.fit()\n",
+    "\n",
+    "experiment.calculator.type = 'crysfml'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml_refined = experiment.data.intensity_calc\n",
+    "\n",
+    "project.display.pattern_comparison(\n",
+    "    'lab6',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_crysfml_refined,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-crysfml (refined)',\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "19",
+   "metadata": {},
+   "source": [
+    "## Agreement check"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "20",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "verify.assert_patterns_agree(\n",
+    "    [\n",
+    "        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),\n",
+    "        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),\n",
+    "    ],\n",
+    "    raise_on_failure=False,\n",
+    ")"
+   ]
+  }
+ ],
+ "metadata": {
+  "jupytext": {
+   "cell_metadata_filter": "-all",
+   "main_language": "python",
+   "notebook_metadata_filter": "-all"
+  }
+ },
+ "nbformat": 4,
+ "nbformat_minor": 5
+}
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.py b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.py
new file mode 100644
index 000000000..9c78d4e77
--- /dev/null
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.py
@@ -0,0 +1,204 @@
+# %% [markdown]
+# # LaB₆ — neutron powder, constant wavelength, FCJ asymmetry
+
+# %%
+import easydiffraction as ed
+from easydiffraction import ExperimentFactory
+from easydiffraction import StructureFactory
+from easydiffraction.analysis import verification as verify
+
+# %% [markdown]
+# ## Build the project
+
+# %%
+project = ed.Project()
+
+# %% [markdown]
+# ## Define the structure
+
+# %%
+structure = StructureFactory.from_scratch(name='lab6')
+structure.space_group.name_h_m = 'P m -3 m'  # FullProf Space group symbol
+structure.cell.length_a = 4.156885  # FullProf a
+structure.atom_sites.create(
+    label='La',  # FullProf Atom
+    type_symbol='La',  # FullProf Typ
+    fract_x=0.0,  # FullProf X
+    fract_y=0.0,  # FullProf Y
+    fract_z=0.0,  # FullProf Z
+    adp_type='Biso',  # FullProf Biso
+    adp_iso=0.32249,  # FullProf Biso
+)
+structure.atom_sites.create(
+    label='B',  # FullProf Atom
+    type_symbol='11B',  # FullProf "B11"
+    fract_x=0.19978,  # FullProf X
+    fract_y=0.5,  # FullProf Y
+    fract_z=0.5,  # FullProf Z
+    adp_type='Biso',  # FullProf Biso
+    adp_iso=0.16910,  # FullProf Biso
+)
+
+project.structures.add(structure)
+
+# %% [markdown]
+# ## Load the FullProf reference
+
+# %%
+FULLPROF_PROJECT_DIR = 'pd-neut-cwl_tch-fcj_lab6'
+FULLPROF_PRF_FILE = 'ECH0030684_LaB6_1p622A_noAbs.prf'
+FULLPROF_BAC_FILE = 'ECH0030684_LaB6_1p622A_noAbs.bac'
+FULLPROF_ZERO = -0.21148  # FullProf Zero
+FULLPROF_SCALE = 44.51785  # FullProf Scale
+FULLPROF_WAVELENGTH = 1.622528  # FullProf Lambda
+FULLPROF_U = 0.089670  # FullProf U
+FULLPROF_V = -0.375862  # FullProf V
+FULLPROF_W = 0.476309  # FullProf W
+FULLPROF_X = 0.0  # FullProf X
+FULLPROF_Y = 0.052528  # FullProf Y
+FULLPROF_SYCOS = 0.05290  # FullProf SyCos
+FULLPROF_SYSIN = 0.09073  # FullProf SySin
+FULLPROF_S_L = 0.08000  # FullProf S_L
+FULLPROF_D_L = 0.08000  # FullProf D_L
+
+x, calc_fullprof = verify.load_fullprof_calc_profile(
+    FULLPROF_PROJECT_DIR,
+    FULLPROF_PRF_FILE,
+    FULLPROF_BAC_FILE,
+    FULLPROF_ZERO,
+)
+
+# %% [markdown]
+# ## Create the experiment
+
+# %%
+experiment = ExperimentFactory.from_scratch(
+    name='lab6',
+    sample_form='powder',
+    beam_mode='constant wavelength',
+    radiation_probe='neutron',
+    scattering_type='bragg',
+)
+verify.set_reference_as_measured(experiment, x, calc_fullprof)
+
+experiment.linked_phases.create(id='lab6', scale=FULLPROF_SCALE)
+
+experiment.instrument.setup_wavelength = FULLPROF_WAVELENGTH
+experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO
+
+experiment.peak.broad_gauss_u = FULLPROF_U
+experiment.peak.broad_gauss_v = FULLPROF_V
+experiment.peak.broad_gauss_w = FULLPROF_W
+experiment.peak.broad_lorentz_x = FULLPROF_X
+experiment.peak.broad_lorentz_y = FULLPROF_Y
+# Engine-specific corrections are applied in each engine's section below:
+# SyCos/SySin (cryspy only) and the FCJ S_L/D_L asymmetry (crysfml only).
+
+project.experiments.add(experiment)
+
+# %% [markdown]
+# ## ed-cryspy VS FullProf
+
+# %%
+experiment.instrument.calib_sample_displacement = FULLPROF_SYCOS
+experiment.instrument.calib_sample_transparency = FULLPROF_SYSIN
+
+experiment.calculator.type = 'cryspy'
+project.analysis.calculate()
+calc_ed_cryspy = experiment.data.intensity_calc
+
+project.display.pattern_comparison(
+    'lab6',
+    reference=calc_fullprof,
+    candidate=calc_ed_cryspy,
+    reference_label='FullProf',
+    candidate_label='ed-cryspy',
+)
+
+# %% [markdown]
+# ## Fit ed-cryspy to FullProf
+
+# %%
+experiment.linked_phases['lab6'].scale.free = True
+experiment.instrument.calib_twotheta_offset.free = True
+experiment.instrument.calib_sample_displacement.free = True
+experiment.instrument.calib_sample_transparency.free = True
+
+project.analysis.minimizer.type = 'lmfit'
+project.analysis.fit()
+
+experiment.calculator.type = 'cryspy'
+project.analysis.calculate()
+calc_ed_cryspy_refined = experiment.data.intensity_calc
+
+project.display.pattern_comparison(
+    'lab6',
+    reference=calc_fullprof,
+    candidate=calc_ed_cryspy_refined,
+    reference_label='FullProf',
+    candidate_label='ed-cryspy (refined)',
+)
+
+# %% [markdown]
+# ## ed-crysfml VS FullProf
+
+# %%
+experiment.calculator.type = 'crysfml'
+experiment.peak.type = 'thompson-cox-hastings'
+experiment.linked_phases['lab6'].scale = FULLPROF_SCALE
+experiment.linked_phases['lab6'].scale.free = False
+experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO
+experiment.instrument.calib_twotheta_offset.free = False
+experiment.instrument.calib_sample_displacement.free = False
+experiment.instrument.calib_sample_transparency.free = False
+experiment.peak.broad_gauss_u = FULLPROF_U
+experiment.peak.broad_gauss_v = FULLPROF_V
+experiment.peak.broad_gauss_w = FULLPROF_W
+experiment.peak.broad_lorentz_x = FULLPROF_X
+experiment.peak.broad_lorentz_y = FULLPROF_Y
+experiment.peak.asym_fcj_1 = FULLPROF_S_L
+experiment.peak.asym_fcj_2 = FULLPROF_D_L
+
+project.analysis.calculate()
+calc_ed_crysfml = experiment.data.intensity_calc
+
+project.display.pattern_comparison(
+    'lab6',
+    reference=calc_fullprof,
+    candidate=calc_ed_crysfml,
+    reference_label='FullProf',
+    candidate_label='ed-crysfml',
+)
+
+# %% [markdown]
+# ## Fit ed-crysfml to FullProf
+
+# %%
+experiment.linked_phases['lab6'].scale.free = True
+experiment.instrument.calib_twotheta_offset.free = True
+
+project.analysis.fit()
+
+experiment.calculator.type = 'crysfml'
+project.analysis.calculate()
+calc_ed_crysfml_refined = experiment.data.intensity_calc
+
+project.display.pattern_comparison(
+    'lab6',
+    reference=calc_fullprof,
+    candidate=calc_ed_crysfml_refined,
+    reference_label='FullProf',
+    candidate_label='ed-crysfml (refined)',
+)
+
+# %% [markdown]
+# ## Agreement check
+
+# %%
+verify.assert_patterns_agree(
+    [
+        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),
+        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),
+    ],
+    raise_on_failure=False,
+)
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
index cb080bfce..007a4962c 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
@@ -24,28 +24,7 @@
    "id": "1",
    "metadata": {},
    "source": [
-    "# LaB₆ — neutron powder, constant wavelength, Thompson–Cox–Hastings\n",
-    "\n",
-    "This page calculates the **same** LaB₆ diffraction pattern with each\n",
-    "EasyDiffraction engine (`cryspy`, `crysfml`) and compares both against a\n",
-    "**FullProf** reference profile on identical input parameters, then\n",
-    "investigates the discrepancy by refinement. It uses the real LaB₆\n",
-    "dataset from\n",
-    "[cryspy issue #38](https://github.com/ikibalin/cryspy/issues/38).\n",
-    "\n",
-    "The page targets the FullProf `SyCos`/`SySin` systematic peak-position\n",
-    "corrections (sample displacement and transparency), which map to\n",
-    "`calib_sample_displacement` and `calib_sample_transparency` on the CWL\n",
-    "powder instrument. Only the `cryspy` engine applies them, and only with\n",
-    "the functionality added in\n",
-    "[cryspy PR #46](https://github.com/ikibalin/cryspy/pull/46); the\n",
-    "`crysfml` engine has no equivalent. Because FullProf and cryspy use\n",
-    "different coefficient conventions for these corrections (and a\n",
-    "different absolute-intensity scale), the FullProf values are used as\n",
-    "starting points and the discrepancy is investigated by refining\n",
-    "`scale`, `calib_sample_displacement` and `calib_sample_transparency`\n",
-    "with `cryspy`. The page stays listed in `ci_skip.txt` until a released\n",
-    "cryspy ships the PR #46 corrections."
+    "# LaB₆ — neutron powder, constant wavelength, sample absorption"
    ]
   },
   {
@@ -66,12 +45,7 @@
    "id": "3",
    "metadata": {},
    "source": [
-    "## Load the FullProf reference\n",
-    "\n",
-    "The FullProf **calculated** profile is exported as a two-column\n",
-    "(2θ, intensity) `.sub` holding the Bragg contribution only (no\n",
-    "background), so the engines are compared against FullProf's own\n",
-    "calculation, consistent with the other Verification pages."
+    "## Build the project"
    ]
   },
   {
@@ -81,12 +55,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "reference_dir = verify.bundled_reference_dir() / 'pd-neut-cwl_tch-fcj_lab6'\n",
-    "x, calc_fullprof = verify.load_columned_profile(\n",
-    "    str(reference_dir / 'ECH0030684_LaB6_1p622A1.sub'),\n",
-    "    skip_rows=1,\n",
-    "    columns=(0, 1),\n",
-    ")"
+    "project = ed.Project()"
    ]
   },
   {
@@ -94,7 +63,7 @@
    "id": "5",
    "metadata": {},
    "source": [
-    "## Build the project"
+    "## Define the structure"
    ]
   },
   {
@@ -103,28 +72,6 @@
    "id": "6",
    "metadata": {},
    "outputs": [],
-   "source": [
-    "project = ed.Project()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "7",
-   "metadata": {},
-   "source": [
-    "## Define the structure\n",
-    "\n",
-    "Boron is the ¹¹B isotope (FullProf `B11`). The `cryspy` engine resolves\n",
-    "the isotope directly; the `crysfml` engine resolves scattering by\n",
-    "element and silently drops the isotope number (`11B` → `B`)."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "8",
-   "metadata": {},
-   "outputs": [],
    "source": [
     "structure = StructureFactory.from_scratch(name='lab6')\n",
     "structure.space_group.name_h_m = 'P m -3 m'  # FullProf Space group symbol\n",
@@ -136,16 +83,16 @@
     "    fract_y=0.0,  # FullProf Y\n",
     "    fract_z=0.0,  # FullProf Z\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=0.53399,  # FullProf Biso\n",
+    "    adp_iso=0.59951,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='B',  # FullProf Atom\n",
-    "    type_symbol='11B',  # FullProf \"B11     0.66500    0.00000   0\"\n",
-    "    fract_x=0.19972,  # FullProf X\n",
+    "    type_symbol='11B',  # FullProf \"B11\"\n",
+    "    fract_x=0.19978,  # FullProf X\n",
     "    fract_y=0.5,  # FullProf Y\n",
     "    fract_z=0.5,  # FullProf Z\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=0.39406,  # FullProf Biso\n",
+    "    adp_iso=0.44499,  # FullProf Biso\n",
     ")\n",
     "\n",
     "project.structures.add(structure)"
@@ -153,12 +100,49 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "## Load the FullProf reference"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
    "metadata": {},
+   "outputs": [],
    "source": [
-    "## Create the experiment\n",
+    "FULLPROF_PROJECT_DIR = 'pd-neut-cwl_tch-fcj_lab6'\n",
+    "FULLPROF_PRF_FILE = 'ECH0030684_LaB6_1p622A.prf'\n",
+    "FULLPROF_BAC_FILE = 'ECH0030684_LaB6_1p622A.bac'\n",
+    "FULLPROF_ZERO = -0.21110  # FullProf Zero\n",
+    "FULLPROF_SCALE = 141.1285  # FullProf Scale\n",
+    "FULLPROF_WAVELENGTH = 1.622527  # FullProf Lambda\n",
+    "FULLPROF_U = 0.089664  # FullProf U\n",
+    "FULLPROF_V = -0.375792  # FullProf V\n",
+    "FULLPROF_W = 0.476524  # FullProf W\n",
+    "FULLPROF_X = 0.0  # FullProf X\n",
+    "FULLPROF_Y = 0.052425  # FullProf Y\n",
+    "FULLPROF_SYCOS = 0.05281  # FullProf SyCos\n",
+    "FULLPROF_SYSIN = 0.09068  # FullProf SySin\n",
+    "FULLPROF_S_L = 0.08000  # FullProf S_L\n",
+    "FULLPROF_D_L = 0.08000  # FullProf D_L\n",
     "\n",
-    "Starting values are taken from `ECH0030684_LaB6_1p622A.pcr`."
+    "x, calc_fullprof = verify.load_fullprof_calc_profile(\n",
+    "    FULLPROF_PROJECT_DIR,\n",
+    "    FULLPROF_PRF_FILE,\n",
+    "    FULLPROF_BAC_FILE,\n",
+    "    FULLPROF_ZERO,\n",
+    ")"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9",
+   "metadata": {},
+   "source": [
+    "## Create the experiment"
    ]
   },
   {
@@ -177,17 +161,19 @@
     ")\n",
     "verify.set_reference_as_measured(experiment, x, calc_fullprof)\n",
     "\n",
-    "experiment.linked_phases.create(id='lab6', scale=136.0507)  # FullProf Scale\n",
+    "experiment.linked_phases.create(id='lab6', scale=FULLPROF_SCALE)\n",
     "\n",
-    "experiment.instrument.setup_wavelength = 1.623891  # FullProf Lambda\n",
-    "experiment.instrument.calib_sample_displacement = 0.01052  # FullProf SyCos\n",
-    "experiment.instrument.calib_sample_transparency = 0.24192  # FullProf SySin\n",
+    "experiment.instrument.setup_wavelength = FULLPROF_WAVELENGTH\n",
+    "experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO\n",
     "\n",
-    "experiment.peak.broad_gauss_u = 0.143363  # FullProf U\n",
-    "experiment.peak.broad_gauss_v = -0.522167  # FullProf V\n",
-    "experiment.peak.broad_gauss_w = 0.590411  # FullProf W\n",
-    "experiment.peak.broad_lorentz_x = 0.0  # FullProf X\n",
-    "experiment.peak.broad_lorentz_y = 0.054276  # FullProf Y\n",
+    "experiment.peak.broad_gauss_u = FULLPROF_U\n",
+    "experiment.peak.broad_gauss_v = FULLPROF_V\n",
+    "experiment.peak.broad_gauss_w = FULLPROF_W\n",
+    "experiment.peak.broad_lorentz_x = FULLPROF_X\n",
+    "experiment.peak.broad_lorentz_y = FULLPROF_Y\n",
+    "# Engine-specific corrections are applied in each engine's section below:\n",
+    "# SyCos/SySin (cryspy only) and the FCJ S_L/D_L asymmetry (crysfml only).\n",
+    "# Sample absorption (muR = 0.7) is modelled by neither engine.\n",
     "\n",
     "project.experiments.add(experiment)"
    ]
@@ -197,7 +183,7 @@
    "id": "11",
    "metadata": {},
    "source": [
-    "## Calculate the pattern with each engine"
+    "## ed-cryspy VS FullProf"
    ]
   },
   {
@@ -207,8 +193,20 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')\n",
-    "calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')"
+    "experiment.instrument.calib_sample_displacement = FULLPROF_SYCOS\n",
+    "experiment.instrument.calib_sample_transparency = FULLPROF_SYSIN\n",
+    "\n",
+    "experiment.calculator.type = 'cryspy'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_cryspy = experiment.data.intensity_calc\n",
+    "\n",
+    "project.display.pattern_comparison(\n",
+    "    'lab6',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_cryspy,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-cryspy',\n",
+    ")"
    ]
   },
   {
@@ -216,12 +214,7 @@
    "id": "13",
    "metadata": {},
    "source": [
-    "## Compare each engine against FullProf\n",
-    "\n",
-    "At the FullProf input values the engines differ from the FullProf\n",
-    "reference: the absolute-intensity scale and the `SyCos`/`SySin`\n",
-    "coefficient conventions are not shared between codes, and `crysfml`\n",
-    "cannot apply the corrections at all."
+    "## Fit ed-cryspy to FullProf"
    ]
   },
   {
@@ -231,71 +224,115 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "experiment.linked_phases['lab6'].scale.free = True\n",
+    "experiment.instrument.calib_twotheta_offset.free = True\n",
+    "experiment.instrument.calib_sample_displacement.free = True\n",
+    "experiment.instrument.calib_sample_transparency.free = True\n",
+    "\n",
+    "project.analysis.minimizer.type = 'lmfit'\n",
+    "project.analysis.fit()\n",
+    "\n",
+    "experiment.calculator.type = 'cryspy'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_cryspy_refined = experiment.data.intensity_calc\n",
+    "\n",
     "project.display.pattern_comparison(\n",
     "    'lab6',\n",
     "    reference=calc_fullprof,\n",
-    "    candidate=calc_ed_cryspy,\n",
+    "    candidate=calc_ed_cryspy_refined,\n",
     "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
+    "    candidate_label='ed-cryspy (refined)',\n",
     ")"
    ]
   },
+  {
+   "cell_type": "markdown",
+   "id": "15",
+   "metadata": {},
+   "source": [
+    "## ed-crysfml VS FullProf"
+   ]
+  },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "15",
+   "id": "16",
    "metadata": {},
    "outputs": [],
    "source": [
+    "experiment.calculator.type = 'crysfml'\n",
+    "experiment.peak.type = 'thompson-cox-hastings'\n",
+    "experiment.linked_phases['lab6'].scale = FULLPROF_SCALE\n",
+    "experiment.linked_phases['lab6'].scale.free = False\n",
+    "experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO\n",
+    "experiment.instrument.calib_twotheta_offset.free = False\n",
+    "experiment.instrument.calib_sample_displacement.free = False\n",
+    "experiment.instrument.calib_sample_transparency.free = False\n",
+    "experiment.peak.broad_gauss_u = FULLPROF_U\n",
+    "experiment.peak.broad_gauss_v = FULLPROF_V\n",
+    "experiment.peak.broad_gauss_w = FULLPROF_W\n",
+    "experiment.peak.broad_lorentz_x = FULLPROF_X\n",
+    "experiment.peak.broad_lorentz_y = FULLPROF_Y\n",
+    "experiment.peak.asym_fcj_1 = FULLPROF_S_L\n",
+    "experiment.peak.asym_fcj_2 = FULLPROF_D_L\n",
+    "\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml = experiment.data.intensity_calc\n",
+    "\n",
     "project.display.pattern_comparison(\n",
     "    'lab6',\n",
     "    reference=calc_fullprof,\n",
     "    candidate=calc_ed_crysfml,\n",
     "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (crysfml)',\n",
+    "    candidate_label='ed-crysfml',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "16",
+   "id": "17",
    "metadata": {},
    "source": [
-    "## Compare the two engines with each other"
+    "## Fit ed-crysfml to FullProf"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "17",
+   "id": "18",
    "metadata": {},
    "outputs": [],
    "source": [
+    "experiment.linked_phases['lab6'].scale.free = True\n",
+    "experiment.instrument.calib_twotheta_offset.free = True\n",
+    "\n",
+    "project.analysis.fit()\n",
+    "\n",
+    "experiment.calculator.type = 'crysfml'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml_refined = experiment.data.intensity_calc\n",
+    "\n",
     "project.display.pattern_comparison(\n",
     "    'lab6',\n",
-    "    reference=calc_ed_crysfml,\n",
-    "    candidate=calc_ed_cryspy,\n",
-    "    reference_label='EasyDiffraction (crysfml)',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_crysfml_refined,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-crysfml (refined)',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "18",
+   "id": "19",
    "metadata": {},
    "source": [
-    "## Agreement check\n",
-    "\n",
-    "Reported without failing CI (`raise_on_failure=False`); the page is also\n",
-    "skipped via `ci_skip.txt` while the corrections require an unreleased\n",
-    "cryspy."
+    "## Agreement check"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "19",
+   "id": "20",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -303,119 +340,10 @@
     "    [\n",
     "        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),\n",
     "        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),\n",
-    "        ('cryspy vs crysfml', calc_ed_cryspy, calc_ed_crysfml),\n",
     "    ],\n",
     "    raise_on_failure=False,\n",
     ")"
    ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "20",
-   "metadata": {},
-   "source": [
-    "## Investigate the discrepancy by refinement\n",
-    "\n",
-    "Because the FullProf profile is already loaded as the measured data, we\n",
-    "can test directly whether `cryspy` can reproduce it: refine the\n",
-    "absolute `scale` together with `calib_sample_displacement` and\n",
-    "`calib_sample_transparency`, keeping the structure and every other\n",
-    "parameter fixed, and check how far the corrections have to move to\n",
-    "match FullProf. `crysfml` is not refined — it has no `SyCos`/`SySin`\n",
-    "equivalent."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "21",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "experiment.calculator.type = 'cryspy'\n",
-    "project.analysis.minimizer.type = 'lmfit'\n",
-    "\n",
-    "# Free only the absolute scale and the two peak-position corrections; the\n",
-    "# structure stays fixed, so a good fit confirms the difference is a\n",
-    "# scale/correction-convention difference, not a structural disagreement.\n",
-    "experiment.linked_phases['lab6'].scale.free = True\n",
-    "experiment.instrument.calib_sample_displacement.free = True\n",
-    "experiment.instrument.calib_sample_transparency.free = True"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "22",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.analysis.fit()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "23",
-   "metadata": {},
-   "source": [
-    "## Goodness of fit and refined parameters\n",
-    "\n",
-    "The reference is a calculation-only profile with unit uncertainties, so\n",
-    "the absolute reduced χ² and R-factors are not normalised goodness-of-fit\n",
-    "values; the **scale-independent before/after closeness table** below is\n",
-    "the meaningful measure of the improvement."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "24",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.display.fit.results()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "25",
-   "metadata": {},
-   "source": [
-    "## Refined cryspy vs FullProf\n",
-    "\n",
-    "The refined `cryspy` pattern overlaid on the FullProf reference, then a\n",
-    "before/after table of the closeness metrics. A residual profile-shape\n",
-    "difference remains, which is why the page is not yet a passing\n",
-    "regression check."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "26",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "calc_ed_cryspy_refined = verify.calculate_pattern(project, experiment, 'cryspy')\n",
-    "\n",
-    "project.display.pattern_comparison(\n",
-    "    'lab6',\n",
-    "    reference=calc_fullprof,\n",
-    "    candidate=calc_ed_cryspy_refined,\n",
-    "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (cryspy, refined)',\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "27",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "verify.report_refinement_closeness(calc_fullprof, calc_ed_cryspy, calc_ed_cryspy_refined)"
-   ]
   }
  ],
  "metadata": {
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
index 23e43fd1d..10e857ada 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
@@ -1,26 +1,5 @@
 # %% [markdown]
-# # LaB₆ — neutron powder, constant wavelength, Thompson–Cox–Hastings
-#
-# This page calculates the **same** LaB₆ diffraction pattern with each
-# EasyDiffraction engine (`cryspy`, `crysfml`) and compares both against a
-# **FullProf** reference profile on identical input parameters, then
-# investigates the discrepancy by refinement. It uses the real LaB₆
-# dataset from
-# [cryspy issue #38](https://github.com/ikibalin/cryspy/issues/38).
-#
-# The page targets the FullProf `SyCos`/`SySin` systematic peak-position
-# corrections (sample displacement and transparency), which map to
-# `calib_sample_displacement` and `calib_sample_transparency` on the CWL
-# powder instrument. Only the `cryspy` engine applies them, and only with
-# the functionality added in
-# [cryspy PR #46](https://github.com/ikibalin/cryspy/pull/46); the
-# `crysfml` engine has no equivalent. Because FullProf and cryspy use
-# different coefficient conventions for these corrections (and a
-# different absolute-intensity scale), the FullProf values are used as
-# starting points and the discrepancy is investigated by refining
-# `scale`, `calib_sample_displacement` and `calib_sample_transparency`
-# with `cryspy`. The page stays listed in `ci_skip.txt` until a released
-# cryspy ships the PR #46 corrections.
+# # LaB₆ — neutron powder, constant wavelength, sample absorption
 
 # %%
 import easydiffraction as ed
@@ -28,22 +7,6 @@
 from easydiffraction import StructureFactory
 from easydiffraction.analysis import verification as verify
 
-# %% [markdown]
-# ## Load the FullProf reference
-#
-# The FullProf **calculated** profile is exported as a two-column
-# (2θ, intensity) `.sub` holding the Bragg contribution only (no
-# background), so the engines are compared against FullProf's own
-# calculation, consistent with the other Verification pages.
-
-# %%
-reference_dir = verify.bundled_reference_dir() / 'pd-neut-cwl_tch-fcj_lab6'
-x, calc_fullprof = verify.load_columned_profile(
-    str(reference_dir / 'ECH0030684_LaB6_1p622A1.sub'),
-    skip_rows=1,
-    columns=(0, 1),
-)
-
 # %% [markdown]
 # ## Build the project
 
@@ -52,10 +15,6 @@
 
 # %% [markdown]
 # ## Define the structure
-#
-# Boron is the ¹¹B isotope (FullProf `B11`). The `cryspy` engine resolves
-# the isotope directly; the `crysfml` engine resolves scattering by
-# element and silently drops the isotope number (`11B` → `B`).
 
 # %%
 structure = StructureFactory.from_scratch(name='lab6')
@@ -68,24 +27,49 @@
     fract_y=0.0,  # FullProf Y
     fract_z=0.0,  # FullProf Z
     adp_type='Biso',  # FullProf Biso
-    adp_iso=0.53399,  # FullProf Biso
+    adp_iso=0.59951,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='B',  # FullProf Atom
-    type_symbol='11B',  # FullProf "B11     0.66500    0.00000   0"
-    fract_x=0.19972,  # FullProf X
+    type_symbol='11B',  # FullProf "B11"
+    fract_x=0.19978,  # FullProf X
     fract_y=0.5,  # FullProf Y
     fract_z=0.5,  # FullProf Z
     adp_type='Biso',  # FullProf Biso
-    adp_iso=0.39406,  # FullProf Biso
+    adp_iso=0.44499,  # FullProf Biso
 )
 
 project.structures.add(structure)
 
+# %% [markdown]
+# ## Load the FullProf reference
+
+# %%
+FULLPROF_PROJECT_DIR = 'pd-neut-cwl_tch-fcj_lab6'
+FULLPROF_PRF_FILE = 'ECH0030684_LaB6_1p622A.prf'
+FULLPROF_BAC_FILE = 'ECH0030684_LaB6_1p622A.bac'
+FULLPROF_ZERO = -0.21110  # FullProf Zero
+FULLPROF_SCALE = 141.1285  # FullProf Scale
+FULLPROF_WAVELENGTH = 1.622527  # FullProf Lambda
+FULLPROF_U = 0.089664  # FullProf U
+FULLPROF_V = -0.375792  # FullProf V
+FULLPROF_W = 0.476524  # FullProf W
+FULLPROF_X = 0.0  # FullProf X
+FULLPROF_Y = 0.052425  # FullProf Y
+FULLPROF_SYCOS = 0.05281  # FullProf SyCos
+FULLPROF_SYSIN = 0.09068  # FullProf SySin
+FULLPROF_S_L = 0.08000  # FullProf S_L
+FULLPROF_D_L = 0.08000  # FullProf D_L
+
+x, calc_fullprof = verify.load_fullprof_calc_profile(
+    FULLPROF_PROJECT_DIR,
+    FULLPROF_PRF_FILE,
+    FULLPROF_BAC_FILE,
+    FULLPROF_ZERO,
+)
+
 # %% [markdown]
 # ## Create the experiment
-#
-# Starting values are taken from `ECH0030684_LaB6_1p622A.pcr`.
 
 # %%
 experiment = ExperimentFactory.from_scratch(
@@ -97,136 +81,125 @@
 )
 verify.set_reference_as_measured(experiment, x, calc_fullprof)
 
-experiment.linked_phases.create(id='lab6', scale=136.0507)  # FullProf Scale
+experiment.linked_phases.create(id='lab6', scale=FULLPROF_SCALE)
 
-experiment.instrument.setup_wavelength = 1.623891  # FullProf Lambda
-experiment.instrument.calib_sample_displacement = 0.01052  # FullProf SyCos
-experiment.instrument.calib_sample_transparency = 0.24192  # FullProf SySin
+experiment.instrument.setup_wavelength = FULLPROF_WAVELENGTH
+experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO
 
-experiment.peak.broad_gauss_u = 0.143363  # FullProf U
-experiment.peak.broad_gauss_v = -0.522167  # FullProf V
-experiment.peak.broad_gauss_w = 0.590411  # FullProf W
-experiment.peak.broad_lorentz_x = 0.0  # FullProf X
-experiment.peak.broad_lorentz_y = 0.054276  # FullProf Y
+experiment.peak.broad_gauss_u = FULLPROF_U
+experiment.peak.broad_gauss_v = FULLPROF_V
+experiment.peak.broad_gauss_w = FULLPROF_W
+experiment.peak.broad_lorentz_x = FULLPROF_X
+experiment.peak.broad_lorentz_y = FULLPROF_Y
+# Engine-specific corrections are applied in each engine's section below:
+# SyCos/SySin (cryspy only) and the FCJ S_L/D_L asymmetry (crysfml only).
+# Sample absorption (muR = 0.7) is modelled by neither engine.
 
 project.experiments.add(experiment)
 
 # %% [markdown]
-# ## Calculate the pattern with each engine
+# ## ed-cryspy VS FullProf
 
 # %%
-calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')
-calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')
+experiment.instrument.calib_sample_displacement = FULLPROF_SYCOS
+experiment.instrument.calib_sample_transparency = FULLPROF_SYSIN
 
-# %% [markdown]
-# ## Compare each engine against FullProf
-#
-# At the FullProf input values the engines differ from the FullProf
-# reference: the absolute-intensity scale and the `SyCos`/`SySin`
-# coefficient conventions are not shared between codes, and `crysfml`
-# cannot apply the corrections at all.
+experiment.calculator.type = 'cryspy'
+project.analysis.calculate()
+calc_ed_cryspy = experiment.data.intensity_calc
 
-# %%
 project.display.pattern_comparison(
     'lab6',
     reference=calc_fullprof,
     candidate=calc_ed_cryspy,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (cryspy)',
+    candidate_label='ed-cryspy',
 )
 
+# %% [markdown]
+# ## Fit ed-cryspy to FullProf
+
 # %%
+experiment.linked_phases['lab6'].scale.free = True
+experiment.instrument.calib_twotheta_offset.free = True
+experiment.instrument.calib_sample_displacement.free = True
+experiment.instrument.calib_sample_transparency.free = True
+
+project.analysis.minimizer.type = 'lmfit'
+project.analysis.fit()
+
+experiment.calculator.type = 'cryspy'
+project.analysis.calculate()
+calc_ed_cryspy_refined = experiment.data.intensity_calc
+
 project.display.pattern_comparison(
     'lab6',
     reference=calc_fullprof,
-    candidate=calc_ed_crysfml,
+    candidate=calc_ed_cryspy_refined,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (crysfml)',
+    candidate_label='ed-cryspy (refined)',
 )
 
 # %% [markdown]
-# ## Compare the two engines with each other
+# ## ed-crysfml VS FullProf
 
 # %%
+experiment.calculator.type = 'crysfml'
+experiment.peak.type = 'thompson-cox-hastings'
+experiment.linked_phases['lab6'].scale = FULLPROF_SCALE
+experiment.linked_phases['lab6'].scale.free = False
+experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO
+experiment.instrument.calib_twotheta_offset.free = False
+experiment.instrument.calib_sample_displacement.free = False
+experiment.instrument.calib_sample_transparency.free = False
+experiment.peak.broad_gauss_u = FULLPROF_U
+experiment.peak.broad_gauss_v = FULLPROF_V
+experiment.peak.broad_gauss_w = FULLPROF_W
+experiment.peak.broad_lorentz_x = FULLPROF_X
+experiment.peak.broad_lorentz_y = FULLPROF_Y
+experiment.peak.asym_fcj_1 = FULLPROF_S_L
+experiment.peak.asym_fcj_2 = FULLPROF_D_L
+
+project.analysis.calculate()
+calc_ed_crysfml = experiment.data.intensity_calc
+
 project.display.pattern_comparison(
     'lab6',
-    reference=calc_ed_crysfml,
-    candidate=calc_ed_cryspy,
-    reference_label='EasyDiffraction (crysfml)',
-    candidate_label='EasyDiffraction (cryspy)',
-)
-
-# %% [markdown]
-# ## Agreement check
-#
-# Reported without failing CI (`raise_on_failure=False`); the page is also
-# skipped via `ci_skip.txt` while the corrections require an unreleased
-# cryspy.
-
-# %%
-verify.assert_patterns_agree(
-    [
-        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),
-        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),
-        ('cryspy vs crysfml', calc_ed_cryspy, calc_ed_crysfml),
-    ],
-    raise_on_failure=False,
+    reference=calc_fullprof,
+    candidate=calc_ed_crysfml,
+    reference_label='FullProf',
+    candidate_label='ed-crysfml',
 )
 
 # %% [markdown]
-# ## Investigate the discrepancy by refinement
-#
-# Because the FullProf profile is already loaded as the measured data, we
-# can test directly whether `cryspy` can reproduce it: refine the
-# absolute `scale` together with `calib_sample_displacement` and
-# `calib_sample_transparency`, keeping the structure and every other
-# parameter fixed, and check how far the corrections have to move to
-# match FullProf. `crysfml` is not refined — it has no `SyCos`/`SySin`
-# equivalent.
+# ## Fit ed-crysfml to FullProf
 
 # %%
-experiment.calculator.type = 'cryspy'
-project.analysis.minimizer.type = 'lmfit'
-
-# Free only the absolute scale and the two peak-position corrections; the
-# structure stays fixed, so a good fit confirms the difference is a
-# scale/correction-convention difference, not a structural disagreement.
 experiment.linked_phases['lab6'].scale.free = True
-experiment.instrument.calib_sample_displacement.free = True
-experiment.instrument.calib_sample_transparency.free = True
+experiment.instrument.calib_twotheta_offset.free = True
 
-# %%
 project.analysis.fit()
 
-# %% [markdown]
-# ## Goodness of fit and refined parameters
-#
-# The reference is a calculation-only profile with unit uncertainties, so
-# the absolute reduced χ² and R-factors are not normalised goodness-of-fit
-# values; the **scale-independent before/after closeness table** below is
-# the meaningful measure of the improvement.
-
-# %%
-project.display.fit.results()
-
-# %% [markdown]
-# ## Refined cryspy vs FullProf
-#
-# The refined `cryspy` pattern overlaid on the FullProf reference, then a
-# before/after table of the closeness metrics. A residual profile-shape
-# difference remains, which is why the page is not yet a passing
-# regression check.
-
-# %%
-calc_ed_cryspy_refined = verify.calculate_pattern(project, experiment, 'cryspy')
+experiment.calculator.type = 'crysfml'
+project.analysis.calculate()
+calc_ed_crysfml_refined = experiment.data.intensity_calc
 
 project.display.pattern_comparison(
     'lab6',
     reference=calc_fullprof,
-    candidate=calc_ed_cryspy_refined,
+    candidate=calc_ed_crysfml_refined,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (cryspy, refined)',
+    candidate_label='ed-crysfml (refined)',
 )
 
+# %% [markdown]
+# ## Agreement check
+
 # %%
-verify.report_refinement_closeness(calc_fullprof, calc_ed_cryspy, calc_ed_cryspy_refined)
+verify.assert_patterns_agree(
+    [
+        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),
+        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),
+    ],
+    raise_on_failure=False,
+)

From a1b21e242d3ec2c7de392be715e004228c848d63 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 14:59:38 +0200
Subject: [PATCH 18/41] Rework TOF Si verification notebooks to canonical
 structure

Constants from frozen .pcr, per-engine sections, fit both engines for
the TOF scale convention with after-fit agreement.

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 docs/docs/verification/pd-neut-tof_j_si.ipynb | 300 ++++++-----------
 docs/docs/verification/pd-neut-tof_j_si.py    | 176 +++++-----
 .../verification/pd-neut-tof_jvd_si.ipynb     | 315 +++++++-----------
 docs/docs/verification/pd-neut-tof_jvd_si.py  | 201 +++++------
 4 files changed, 389 insertions(+), 603 deletions(-)

diff --git a/docs/docs/verification/pd-neut-tof_j_si.ipynb b/docs/docs/verification/pd-neut-tof_j_si.ipynb
index 55ff994e7..83c7e9381 100644
--- a/docs/docs/verification/pd-neut-tof_j_si.ipynb
+++ b/docs/docs/verification/pd-neut-tof_j_si.ipynb
@@ -24,21 +24,7 @@
    "id": "1",
    "metadata": {},
    "source": [
-    "# Si — neutron powder, time-of-flight, Jorgensen\n",
-    "\n",
-    "Cross-engine and external-reference verification for silicon in\n",
-    "time-of-flight geometry with the plain **Jorgensen** peak profile\n",
-    "(back-to-back exponentials ⊗ Gaussian, **no Lorentzian term**). The\n",
-    "**same** pattern is calculated with each EasyDiffraction engine\n",
-    "(`cryspy`, `crysfml`) and compared against a **FullProf** reference, on\n",
-    "identical input parameters and **without any fitting**.\n",
-    "\n",
-    "This is the companion of the Jorgensen–Von Dreele Si page. Both engines\n",
-    "reproduce the FullProf plain-Jorgensen peak *shapes* (the shape\n",
-    "correlation is essentially 1) but sit at a different absolute\n",
-    "time-of-flight intensity scale, so the scale convention is investigated\n",
-    "by refinement below, after which the refined cryspy pattern is asserted\n",
-    "to agree with FullProf within tolerance."
+    "# Si — neutron powder, time-of-flight, Jorgensen"
    ]
   },
   {
@@ -58,25 +44,6 @@
    "cell_type": "markdown",
    "id": "3",
    "metadata": {},
-   "source": [
-    "## Load the FullProf reference"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "4",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "reference_dir = verify.bundled_reference_dir() / 'pd-neut-tof_j_si'\n",
-    "x, calc_fullprof = verify.load_fullprof_profile(str(reference_dir / 'arg_si1.sub'))"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "5",
-   "metadata": {},
    "source": [
     "## Build the project"
    ]
@@ -84,7 +51,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "6",
+   "id": "4",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -93,7 +60,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7",
+   "id": "5",
    "metadata": {},
    "source": [
     "## Define the structure"
@@ -102,7 +69,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "8",
+   "id": "6",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -111,7 +78,7 @@
     "structure.space_group.name_h_m = 'F d -3 m'  # FullProf Space group symbol\n",
     "structure.space_group.it_coordinate_system_code = '2'\n",
     "\n",
-    "structure.cell.length_a = 5.432381  # FullProf a\n",
+    "structure.cell.length_a = 5.432382  # FullProf a\n",
     "\n",
     "structure.atom_sites.create(\n",
     "    label='Si',  # FullProf Atom\n",
@@ -126,6 +93,38 @@
     "project.structures.add(structure)"
    ]
   },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "## Load the FullProf reference"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "FULLPROF_PROJECT_DIR = 'pd-neut-tof_j_si'\n",
+    "FULLPROF_SUB_FILE = 'arg_si1.sub'\n",
+    "FULLPROF_SCALE = 0.6620058  # FullProf Scale\n",
+    "FULLPROF_TWOTHETA_BANK = 144.845  # FullProf 2ThetaBank\n",
+    "FULLPROF_DTT1 = 7476.91016  # FullProf Dtt1\n",
+    "FULLPROF_DTT2 = -1.54  # FullProf Dtt2\n",
+    "FULLPROF_SIGMA_0 = 5.0790  # FullProf Sigma-0\n",
+    "FULLPROF_SIGMA_1 = 29.6492  # FullProf Sigma-1\n",
+    "FULLPROF_SIGMA_2 = 0.0  # FullProf Sigma-2\n",
+    "FULLPROF_ALPHA_0 = 0.0  # FullProf alph0\n",
+    "FULLPROF_ALPHA_1 = 0.235422  # FullProf alph1\n",
+    "FULLPROF_BETA_0 = 0.038020  # FullProf beta0\n",
+    "FULLPROF_BETA_1 = 0.010902  # FullProf beta1\n",
+    "\n",
+    "x, calc_fullprof = verify.load_fullprof_profile(FULLPROF_PROJECT_DIR, FULLPROF_SUB_FILE)"
+   ]
+  },
   {
    "cell_type": "markdown",
    "id": "9",
@@ -150,20 +149,20 @@
     ")\n",
     "verify.set_reference_as_measured(experiment, x, calc_fullprof)\n",
     "\n",
-    "experiment.linked_phases.create(id='si', scale=0.6562111)  # FullProf Scale\n",
+    "experiment.linked_phases.create(id='si', scale=FULLPROF_SCALE)\n",
     "\n",
-    "experiment.instrument.setup_twotheta_bank = 144.845  # FullProf 2ThetaBank\n",
-    "experiment.instrument.calib_d_to_tof_linear = 7476.91016  # FullProf Dtt1\n",
-    "experiment.instrument.calib_d_to_tof_quad = -1.54  # FullProf Dtt2\n",
+    "experiment.instrument.setup_twotheta_bank = FULLPROF_TWOTHETA_BANK\n",
+    "experiment.instrument.calib_d_to_tof_linear = FULLPROF_DTT1\n",
+    "experiment.instrument.calib_d_to_tof_quad = FULLPROF_DTT2\n",
     "\n",
     "experiment.peak.type = 'jorgensen'\n",
-    "experiment.peak.broad_gauss_sigma_0 = 5.0790  # FullProf Sigma-0\n",
-    "experiment.peak.broad_gauss_sigma_1 = 29.6492  # FullProf Sigma-1\n",
-    "experiment.peak.broad_gauss_sigma_2 = 0.0  # FullProf Sigma-2\n",
-    "experiment.peak.exp_rise_alpha_0 = 0.0  # FullProf alph0\n",
-    "experiment.peak.exp_rise_alpha_1 = 0.235422  # FullProf alph1\n",
-    "experiment.peak.exp_decay_beta_0 = 0.038020  # FullProf beta0\n",
-    "experiment.peak.exp_decay_beta_1 = 0.010902  # FullProf beta1\n",
+    "experiment.peak.broad_gauss_sigma_0 = FULLPROF_SIGMA_0\n",
+    "experiment.peak.broad_gauss_sigma_1 = FULLPROF_SIGMA_1\n",
+    "experiment.peak.broad_gauss_sigma_2 = FULLPROF_SIGMA_2\n",
+    "experiment.peak.exp_rise_alpha_0 = FULLPROF_ALPHA_0\n",
+    "experiment.peak.exp_rise_alpha_1 = FULLPROF_ALPHA_1\n",
+    "experiment.peak.exp_decay_beta_0 = FULLPROF_BETA_0\n",
+    "experiment.peak.exp_decay_beta_1 = FULLPROF_BETA_1\n",
     "\n",
     "project.experiments.add(experiment)"
    ]
@@ -173,7 +172,7 @@
    "id": "11",
    "metadata": {},
    "source": [
-    "## Calculate the pattern with each engine"
+    "## ed-cryspy VS FullProf"
    ]
   },
   {
@@ -183,8 +182,17 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')\n",
-    "calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')"
+    "experiment.calculator.type = 'cryspy'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_cryspy = experiment.data.intensity_calc\n",
+    "\n",
+    "project.display.pattern_comparison(\n",
+    "    'si',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_cryspy,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-cryspy',\n",
+    ")"
    ]
   },
   {
@@ -192,7 +200,7 @@
    "id": "13",
    "metadata": {},
    "source": [
-    "## Compare each engine against FullProf"
+    "## Fit ed-cryspy to FullProf"
    ]
   },
   {
@@ -202,207 +210,109 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "experiment.calculator.type = 'cryspy'\n",
+    "experiment.linked_phases['si'].scale = 15.1026\n",
+    "experiment.linked_phases['si'].scale.free = True\n",
+    "\n",
+    "project.analysis.minimizer.type = 'lmfit'\n",
+    "project.analysis.fit()\n",
+    "\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_cryspy_refined = experiment.data.intensity_calc\n",
+    "\n",
     "project.display.pattern_comparison(\n",
     "    'si',\n",
     "    reference=calc_fullprof,\n",
-    "    candidate=calc_ed_cryspy,\n",
-    "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "15",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.display.pattern_comparison(\n",
-    "    'si',\n",
-    "    reference=calc_fullprof,\n",
-    "    candidate=calc_ed_crysfml,\n",
+    "    candidate=calc_ed_cryspy_refined,\n",
     "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (crysfml)',\n",
+    "    candidate_label='ed-cryspy (refined)',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "16",
+   "id": "15",
    "metadata": {},
    "source": [
-    "## Compare the two engines with each other"
+    "## ed-crysfml VS FullProf"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "17",
+   "id": "16",
    "metadata": {},
    "outputs": [],
    "source": [
+    "experiment.calculator.type = 'crysfml'\n",
+    "experiment.linked_phases['si'].scale = FULLPROF_SCALE\n",
+    "experiment.linked_phases['si'].scale.free = False\n",
+    "\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml = experiment.data.intensity_calc\n",
+    "\n",
     "project.display.pattern_comparison(\n",
     "    'si',\n",
-    "    reference=calc_ed_crysfml,\n",
-    "    candidate=calc_ed_cryspy,\n",
-    "    reference_label='EasyDiffraction (crysfml)',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_crysfml,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-crysfml',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "18",
+   "id": "17",
    "metadata": {},
    "source": [
-    "## Agreement check\n",
-    "\n",
-    "The engines reproduce the FullProf peak *shapes* but sit at different\n",
-    "absolute time-of-flight intensity scales: neither matches the FullProf\n",
-    "`.pcr` scale and the two engines differ from each other by a large\n",
-    "factor, so the absolute comparison is reported here\n",
-    "(`raise_on_failure=False`) and the scale convention is investigated\n",
-    "below."
+    "## Fit ed-crysfml to FullProf"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "19",
+   "id": "18",
    "metadata": {},
    "outputs": [],
    "source": [
-    "verify.assert_patterns_agree(\n",
-    "    [\n",
-    "        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),\n",
-    "        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),\n",
-    "        ('cryspy vs crysfml', calc_ed_cryspy, calc_ed_crysfml),\n",
-    "    ],\n",
-    "    raise_on_failure=False,\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "20",
-   "metadata": {},
-   "source": [
-    "## Investigate the discrepancy by refinement\n",
+    "experiment.linked_phases['si'].scale = 15.1026\n",
+    "experiment.linked_phases['si'].scale.free = True\n",
     "\n",
-    "The divergence is in the scale, not the structure. So, it is freed ..."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "21",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "# Adjust the initial guess to be closer to the reference, to speed up the fit\n",
-    "experiment.linked_phases['si'].scale = 15.1026"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "22",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "experiment.calculator.type = 'cryspy'\n",
-    "project.analysis.minimizer.type = 'lmfit'\n",
+    "project.analysis.fit()\n",
     "\n",
-    "experiment.linked_phases['si'].scale.free = True"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "23",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.analysis.fit()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "24",
-   "metadata": {},
-   "source": [
-    "## Goodness of fit and refined parameters"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "25",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.display.fit.results()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "26",
-   "metadata": {},
-   "source": [
-    "## Refined cryspy vs FullProf"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "27",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "calc_ed_cryspy_refined = verify.calculate_pattern(project, experiment, 'cryspy')\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml_refined = experiment.data.intensity_calc\n",
     "\n",
     "project.display.pattern_comparison(\n",
     "    'si',\n",
     "    reference=calc_fullprof,\n",
-    "    candidate=calc_ed_cryspy_refined,\n",
+    "    candidate=calc_ed_crysfml_refined,\n",
     "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (cryspy, refined)',\n",
+    "    candidate_label='ed-crysfml (refined)',\n",
     ")"
    ]
   },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "28",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "verify.report_refinement_closeness(calc_fullprof, calc_ed_cryspy, calc_ed_cryspy_refined)"
-   ]
-  },
   {
    "cell_type": "markdown",
-   "id": "29",
+   "id": "19",
    "metadata": {},
    "source": [
-    "## Agreement after refinement\n",
-    "\n",
-    "With the scale convention absorbed by refining the single,\n",
-    "non-structural scale (the structure stays fixed), cryspy reproduces the\n",
-    "FullProf profile within tolerance. This is asserted as a strict pass, so\n",
-    "the page is a regression check rather than a skipped illustration."
+    "## Agreement check"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "30",
+   "id": "20",
    "metadata": {},
    "outputs": [],
    "source": [
     "verify.assert_patterns_agree(\n",
-    "    [('cryspy vs FullProf (refined)', calc_fullprof, calc_ed_cryspy_refined)],\n",
+    "    [\n",
+    "        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy_refined),\n",
+    "        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml_refined),\n",
+    "    ],\n",
+    "    raise_on_failure=False,\n",
     ")"
    ]
   }
diff --git a/docs/docs/verification/pd-neut-tof_j_si.py b/docs/docs/verification/pd-neut-tof_j_si.py
index 0b2323b34..3f1f56cf9 100644
--- a/docs/docs/verification/pd-neut-tof_j_si.py
+++ b/docs/docs/verification/pd-neut-tof_j_si.py
@@ -1,19 +1,5 @@
 # %% [markdown]
 # # Si — neutron powder, time-of-flight, Jorgensen
-#
-# Cross-engine and external-reference verification for silicon in
-# time-of-flight geometry with the plain **Jorgensen** peak profile
-# (back-to-back exponentials ⊗ Gaussian, **no Lorentzian term**). The
-# **same** pattern is calculated with each EasyDiffraction engine
-# (`cryspy`, `crysfml`) and compared against a **FullProf** reference, on
-# identical input parameters and **without any fitting**.
-#
-# This is the companion of the Jorgensen–Von Dreele Si page. Both engines
-# reproduce the FullProf plain-Jorgensen peak *shapes* (the shape
-# correlation is essentially 1) but sit at a different absolute
-# time-of-flight intensity scale, so the scale convention is investigated
-# by refinement below, after which the refined cryspy pattern is asserted
-# to agree with FullProf within tolerance.
 
 # %%
 import easydiffraction as ed
@@ -21,13 +7,6 @@
 from easydiffraction import StructureFactory
 from easydiffraction.analysis import verification as verify
 
-# %% [markdown]
-# ## Load the FullProf reference
-
-# %%
-reference_dir = verify.bundled_reference_dir() / 'pd-neut-tof_j_si'
-x, calc_fullprof = verify.load_fullprof_profile(str(reference_dir / 'arg_si1.sub'))
-
 # %% [markdown]
 # ## Build the project
 
@@ -43,7 +22,7 @@
 structure.space_group.name_h_m = 'F d -3 m'  # FullProf Space group symbol
 structure.space_group.it_coordinate_system_code = '2'
 
-structure.cell.length_a = 5.432381  # FullProf a
+structure.cell.length_a = 5.432382  # FullProf a
 
 structure.atom_sites.create(
     label='Si',  # FullProf Atom
@@ -57,6 +36,26 @@
 
 project.structures.add(structure)
 
+# %% [markdown]
+# ## Load the FullProf reference
+
+# %%
+FULLPROF_PROJECT_DIR = 'pd-neut-tof_j_si'
+FULLPROF_SUB_FILE = 'arg_si1.sub'
+FULLPROF_SCALE = 0.6620058  # FullProf Scale
+FULLPROF_TWOTHETA_BANK = 144.845  # FullProf 2ThetaBank
+FULLPROF_DTT1 = 7476.91016  # FullProf Dtt1
+FULLPROF_DTT2 = -1.54  # FullProf Dtt2
+FULLPROF_SIGMA_0 = 5.0790  # FullProf Sigma-0
+FULLPROF_SIGMA_1 = 29.6492  # FullProf Sigma-1
+FULLPROF_SIGMA_2 = 0.0  # FullProf Sigma-2
+FULLPROF_ALPHA_0 = 0.0  # FullProf alph0
+FULLPROF_ALPHA_1 = 0.235422  # FullProf alph1
+FULLPROF_BETA_0 = 0.038020  # FullProf beta0
+FULLPROF_BETA_1 = 0.010902  # FullProf beta1
+
+x, calc_fullprof = verify.load_fullprof_profile(FULLPROF_PROJECT_DIR, FULLPROF_SUB_FILE)
+
 # %% [markdown]
 # ## Create the experiment
 
@@ -70,133 +69,108 @@
 )
 verify.set_reference_as_measured(experiment, x, calc_fullprof)
 
-experiment.linked_phases.create(id='si', scale=0.6562111)  # FullProf Scale
+experiment.linked_phases.create(id='si', scale=FULLPROF_SCALE)
 
-experiment.instrument.setup_twotheta_bank = 144.845  # FullProf 2ThetaBank
-experiment.instrument.calib_d_to_tof_linear = 7476.91016  # FullProf Dtt1
-experiment.instrument.calib_d_to_tof_quad = -1.54  # FullProf Dtt2
+experiment.instrument.setup_twotheta_bank = FULLPROF_TWOTHETA_BANK
+experiment.instrument.calib_d_to_tof_linear = FULLPROF_DTT1
+experiment.instrument.calib_d_to_tof_quad = FULLPROF_DTT2
 
 experiment.peak.type = 'jorgensen'
-experiment.peak.broad_gauss_sigma_0 = 5.0790  # FullProf Sigma-0
-experiment.peak.broad_gauss_sigma_1 = 29.6492  # FullProf Sigma-1
-experiment.peak.broad_gauss_sigma_2 = 0.0  # FullProf Sigma-2
-experiment.peak.exp_rise_alpha_0 = 0.0  # FullProf alph0
-experiment.peak.exp_rise_alpha_1 = 0.235422  # FullProf alph1
-experiment.peak.exp_decay_beta_0 = 0.038020  # FullProf beta0
-experiment.peak.exp_decay_beta_1 = 0.010902  # FullProf beta1
+experiment.peak.broad_gauss_sigma_0 = FULLPROF_SIGMA_0
+experiment.peak.broad_gauss_sigma_1 = FULLPROF_SIGMA_1
+experiment.peak.broad_gauss_sigma_2 = FULLPROF_SIGMA_2
+experiment.peak.exp_rise_alpha_0 = FULLPROF_ALPHA_0
+experiment.peak.exp_rise_alpha_1 = FULLPROF_ALPHA_1
+experiment.peak.exp_decay_beta_0 = FULLPROF_BETA_0
+experiment.peak.exp_decay_beta_1 = FULLPROF_BETA_1
 
 project.experiments.add(experiment)
 
 # %% [markdown]
-# ## Calculate the pattern with each engine
+# ## ed-cryspy VS FullProf
 
 # %%
-calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')
-calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')
-
-# %% [markdown]
-# ## Compare each engine against FullProf
+experiment.calculator.type = 'cryspy'
+project.analysis.calculate()
+calc_ed_cryspy = experiment.data.intensity_calc
 
-# %%
 project.display.pattern_comparison(
     'si',
     reference=calc_fullprof,
     candidate=calc_ed_cryspy,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (cryspy)',
+    candidate_label='ed-cryspy',
 )
 
+# %% [markdown]
+# ## Fit ed-cryspy to FullProf
+
 # %%
+experiment.calculator.type = 'cryspy'
+experiment.linked_phases['si'].scale = 15.1026
+experiment.linked_phases['si'].scale.free = True
+
+project.analysis.minimizer.type = 'lmfit'
+project.analysis.fit()
+
+project.analysis.calculate()
+calc_ed_cryspy_refined = experiment.data.intensity_calc
+
 project.display.pattern_comparison(
     'si',
     reference=calc_fullprof,
-    candidate=calc_ed_crysfml,
+    candidate=calc_ed_cryspy_refined,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (crysfml)',
+    candidate_label='ed-cryspy (refined)',
 )
 
 # %% [markdown]
-# ## Compare the two engines with each other
+# ## ed-crysfml VS FullProf
 
 # %%
-project.display.pattern_comparison(
-    'si',
-    reference=calc_ed_crysfml,
-    candidate=calc_ed_cryspy,
-    reference_label='EasyDiffraction (crysfml)',
-    candidate_label='EasyDiffraction (cryspy)',
-)
+experiment.calculator.type = 'crysfml'
+experiment.linked_phases['si'].scale = FULLPROF_SCALE
+experiment.linked_phases['si'].scale.free = False
 
-# %% [markdown]
-# ## Agreement check
-#
-# The engines reproduce the FullProf peak *shapes* but sit at different
-# absolute time-of-flight intensity scales: neither matches the FullProf
-# `.pcr` scale and the two engines differ from each other by a large
-# factor, so the absolute comparison is reported here
-# (`raise_on_failure=False`) and the scale convention is investigated
-# below.
+project.analysis.calculate()
+calc_ed_crysfml = experiment.data.intensity_calc
 
-# %%
-verify.assert_patterns_agree(
-    [
-        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),
-        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),
-        ('cryspy vs crysfml', calc_ed_cryspy, calc_ed_crysfml),
-    ],
-    raise_on_failure=False,
+project.display.pattern_comparison(
+    'si',
+    reference=calc_fullprof,
+    candidate=calc_ed_crysfml,
+    reference_label='FullProf',
+    candidate_label='ed-crysfml',
 )
 
 # %% [markdown]
-# ## Investigate the discrepancy by refinement
-#
-# The divergence is in the scale, not the structure. So, it is freed ...
+# ## Fit ed-crysfml to FullProf
 
 # %%
-# Adjust the initial guess to be closer to the reference, to speed up the fit
 experiment.linked_phases['si'].scale = 15.1026
-
-# %%
-experiment.calculator.type = 'cryspy'
-project.analysis.minimizer.type = 'lmfit'
-
 experiment.linked_phases['si'].scale.free = True
 
-# %%
 project.analysis.fit()
 
-# %% [markdown]
-# ## Goodness of fit and refined parameters
-
-# %%
-project.display.fit.results()
-
-# %% [markdown]
-# ## Refined cryspy vs FullProf
-
-# %%
-calc_ed_cryspy_refined = verify.calculate_pattern(project, experiment, 'cryspy')
+project.analysis.calculate()
+calc_ed_crysfml_refined = experiment.data.intensity_calc
 
 project.display.pattern_comparison(
     'si',
     reference=calc_fullprof,
-    candidate=calc_ed_cryspy_refined,
+    candidate=calc_ed_crysfml_refined,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (cryspy, refined)',
+    candidate_label='ed-crysfml (refined)',
 )
 
-# %%
-verify.report_refinement_closeness(calc_fullprof, calc_ed_cryspy, calc_ed_cryspy_refined)
-
 # %% [markdown]
-# ## Agreement after refinement
-#
-# With the scale convention absorbed by refining the single,
-# non-structural scale (the structure stays fixed), cryspy reproduces the
-# FullProf profile within tolerance. This is asserted as a strict pass, so
-# the page is a regression check rather than a skipped illustration.
+# ## Agreement check
 
 # %%
 verify.assert_patterns_agree(
-    [('cryspy vs FullProf (refined)', calc_fullprof, calc_ed_cryspy_refined)],
+    [
+        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy_refined),
+        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml_refined),
+    ],
+    raise_on_failure=False,
 )
diff --git a/docs/docs/verification/pd-neut-tof_jvd_si.ipynb b/docs/docs/verification/pd-neut-tof_jvd_si.ipynb
index f0d530df5..df68c31db 100644
--- a/docs/docs/verification/pd-neut-tof_jvd_si.ipynb
+++ b/docs/docs/verification/pd-neut-tof_jvd_si.ipynb
@@ -24,20 +24,7 @@
    "id": "1",
    "metadata": {},
    "source": [
-    "# Si — neutron powder, time-of-flight, Jorgensen–Von Dreele\n",
-    "\n",
-    "Cross-engine and external-reference verification for silicon in\n",
-    "time-of-flight geometry: the **same** pattern is calculated with each\n",
-    "EasyDiffraction engine (`cryspy`, `crysfml`) and compared against a\n",
-    "**FullProf** reference, on identical input parameters and **without any\n",
-    "fitting**.\n",
-    "\n",
-    "> **Known difference.** For the time-of-flight Jorgensen–Von Dreele\n",
-    "> profile with a non-zero Lorentzian (`broad_lorentz_gamma`) term,\n",
-    "> the `cryspy` engine currently diverges from FullProf and `crysfml`.\n",
-    "> It is shown below for visibility and tracked in the open-issues list;\n",
-    "> the agreement check reports it without failing CI, so this page stays\n",
-    "> a clean docs build while the regression remains visible."
+    "# Si — neutron powder, time-of-flight, Jorgensen–Von Dreele"
    ]
   },
   {
@@ -57,25 +44,6 @@
    "cell_type": "markdown",
    "id": "3",
    "metadata": {},
-   "source": [
-    "## Load the FullProf reference"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "4",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "reference_dir = verify.bundled_reference_dir() / 'pd-neut-tof_jvd_si'\n",
-    "x, calc_fullprof = verify.load_fullprof_profile(str(reference_dir / 'arg_si1.sub'))"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "5",
-   "metadata": {},
    "source": [
     "## Build the project"
    ]
@@ -83,7 +51,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "6",
+   "id": "4",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -92,7 +60,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7",
+   "id": "5",
    "metadata": {},
    "source": [
     "## Define the structure"
@@ -101,7 +69,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "8",
+   "id": "6",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -119,12 +87,47 @@
     "    fract_y=0.125,  # FullProf Y\n",
     "    fract_z=0.125,  # FullProf Z\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=0.52451,  # FullProf Biso\n",
+    "    adp_iso=0.52448,  # FullProf Biso\n",
     ")\n",
     "\n",
     "project.structures.add(structure)"
    ]
   },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "## Load the FullProf reference"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "FULLPROF_PROJECT_DIR = 'pd-neut-tof_jvd_si'\n",
+    "FULLPROF_SUB_FILE = 'arg_si1.sub'\n",
+    "FULLPROF_SCALE = 0.6750847  # FullProf Scale\n",
+    "FULLPROF_TWOTHETA_BANK = 144.845  # FullProf 2ThetaBank\n",
+    "FULLPROF_DTT1 = 7476.91016  # FullProf Dtt1\n",
+    "FULLPROF_DTT2 = -1.54  # FullProf Dtt2\n",
+    "FULLPROF_SIGMA_0 = 3.5544  # FullProf Sigma-0\n",
+    "FULLPROF_SIGMA_1 = 33.0419  # FullProf Sigma-1\n",
+    "FULLPROF_SIGMA_2 = 0.0  # FullProf Sigma-2\n",
+    "FULLPROF_GAMMA_0 = 0.0  # FullProf Gamma-0\n",
+    "FULLPROF_GAMMA_1 = 2.5430  # FullProf Gamma-1\n",
+    "FULLPROF_GAMMA_2 = 0.0  # FullProf Gamma-2\n",
+    "FULLPROF_ALPHA_0 = 0.0  # FullProf alph0\n",
+    "FULLPROF_ALPHA_1 = 0.597100  # FullProf alph1\n",
+    "FULLPROF_BETA_0 = 0.042210  # FullProf beta0\n",
+    "FULLPROF_BETA_1 = 0.009460  # FullProf beta1\n",
+    "\n",
+    "x, calc_fullprof = verify.load_fullprof_profile(FULLPROF_PROJECT_DIR, FULLPROF_SUB_FILE)"
+   ]
+  },
   {
    "cell_type": "markdown",
    "id": "9",
@@ -149,23 +152,23 @@
     ")\n",
     "verify.set_reference_as_measured(experiment, x, calc_fullprof)\n",
     "\n",
-    "experiment.linked_phases.create(id='si', scale=0.6750988)  # FullProf Scale\n",
+    "experiment.linked_phases.create(id='si', scale=FULLPROF_SCALE)\n",
     "\n",
-    "experiment.instrument.setup_twotheta_bank = 144.845  # FullProf 2ThetaBank\n",
-    "experiment.instrument.calib_d_to_tof_linear = 7476.91016  # FullProf Dtt1\n",
-    "experiment.instrument.calib_d_to_tof_quad = -1.54  # FullProf Dtt2\n",
+    "experiment.instrument.setup_twotheta_bank = FULLPROF_TWOTHETA_BANK\n",
+    "experiment.instrument.calib_d_to_tof_linear = FULLPROF_DTT1\n",
+    "experiment.instrument.calib_d_to_tof_quad = FULLPROF_DTT2\n",
     "\n",
     "experiment.peak.type = 'jorgensen-von-dreele'\n",
-    "experiment.peak.broad_gauss_sigma_0 = 3.5541  # FullProf Sigma-0\n",
-    "experiment.peak.broad_gauss_sigma_1 = 33.0418  # FullProf Sigma-1\n",
-    "experiment.peak.broad_gauss_sigma_2 = 0.0  # FullProf Sigma-2\n",
-    "experiment.peak.broad_lorentz_gamma_0 = 0.0  # FullProf Gamma-0\n",
-    "experiment.peak.broad_lorentz_gamma_1 = 2.5432  # FullProf Gamma-1\n",
-    "experiment.peak.broad_lorentz_gamma_2 = 0.0  # FullProf Gamma-2\n",
-    "experiment.peak.exp_rise_alpha_0 = 0.0  # FullProf alph0\n",
-    "experiment.peak.exp_rise_alpha_1 = 0.5971  # FullProf alph1\n",
-    "experiment.peak.exp_decay_beta_0 = 0.04221  # FullProf beta0\n",
-    "experiment.peak.exp_decay_beta_1 = 0.00946  # FullProf beta1\n",
+    "experiment.peak.broad_gauss_sigma_0 = FULLPROF_SIGMA_0\n",
+    "experiment.peak.broad_gauss_sigma_1 = FULLPROF_SIGMA_1\n",
+    "experiment.peak.broad_gauss_sigma_2 = FULLPROF_SIGMA_2\n",
+    "experiment.peak.broad_lorentz_gamma_0 = FULLPROF_GAMMA_0\n",
+    "experiment.peak.broad_lorentz_gamma_1 = FULLPROF_GAMMA_1\n",
+    "experiment.peak.broad_lorentz_gamma_2 = FULLPROF_GAMMA_2\n",
+    "experiment.peak.exp_rise_alpha_0 = FULLPROF_ALPHA_0\n",
+    "experiment.peak.exp_rise_alpha_1 = FULLPROF_ALPHA_1\n",
+    "experiment.peak.exp_decay_beta_0 = FULLPROF_BETA_0\n",
+    "experiment.peak.exp_decay_beta_1 = FULLPROF_BETA_1\n",
     "\n",
     "project.experiments.add(experiment)"
    ]
@@ -175,7 +178,7 @@
    "id": "11",
    "metadata": {},
    "source": [
-    "## Calculate the pattern with each engine"
+    "## ed-cryspy VS FullProf"
    ]
   },
   {
@@ -185,221 +188,143 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')\n",
-    "calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "13",
-   "metadata": {},
-   "source": [
-    "## Compare each engine against FullProf\n",
+    "experiment.calculator.type = 'cryspy'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_cryspy = experiment.data.intensity_calc\n",
     "\n",
-    "The FullProf reference is a solid blue line and the engine a red dashed\n",
-    "line, with the residual below and closeness metrics in the top-left\n",
-    "corner. `crysfml` reproduces FullProf closely; `cryspy` diverges for\n",
-    "this profile (see the note at the top)."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "14",
-   "metadata": {},
-   "outputs": [],
-   "source": [
     "project.display.pattern_comparison(\n",
     "    'si',\n",
     "    reference=calc_fullprof,\n",
     "    candidate=calc_ed_cryspy,\n",
     "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "15",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.display.pattern_comparison(\n",
-    "    'si',\n",
-    "    reference=calc_fullprof,\n",
-    "    candidate=calc_ed_crysfml,\n",
-    "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (crysfml)',\n",
+    "    candidate_label='ed-cryspy',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "16",
+   "id": "13",
    "metadata": {},
    "source": [
-    "## Compare the two engines with each other"
+    "## Fit ed-cryspy to FullProf"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "17",
+   "id": "14",
    "metadata": {},
    "outputs": [],
    "source": [
+    "experiment.calculator.type = 'cryspy'\n",
+    "experiment.linked_phases['si'].scale = 16.5579\n",
+    "experiment.peak.broad_lorentz_gamma_1 = 9.9974\n",
+    "experiment.linked_phases['si'].scale.free = True\n",
+    "experiment.peak.broad_lorentz_gamma_1.free = True\n",
+    "\n",
+    "project.analysis.minimizer.type = 'lmfit'\n",
+    "project.analysis.fit()\n",
+    "\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_cryspy_refined = experiment.data.intensity_calc\n",
+    "\n",
     "project.display.pattern_comparison(\n",
     "    'si',\n",
-    "    reference=calc_ed_crysfml,\n",
-    "    candidate=calc_ed_cryspy,\n",
-    "    reference_label='EasyDiffraction (crysfml)',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_cryspy_refined,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-cryspy (refined)',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "18",
+   "id": "15",
    "metadata": {},
    "source": [
-    "## Agreement check\n",
-    "\n",
-    "`raise_on_failure=False` keeps CI green while still showing the\n",
-    "`cryspy` discrepancy in red — it is reported, not enforced, and tracked\n",
-    "in the open-issues list."
+    "## ed-crysfml VS FullProf"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "19",
+   "id": "16",
    "metadata": {},
    "outputs": [],
    "source": [
-    "verify.assert_patterns_agree(\n",
-    "    [\n",
-    "        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),\n",
-    "        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),\n",
-    "        ('cryspy vs crysfml', calc_ed_cryspy, calc_ed_crysfml),\n",
-    "    ],\n",
-    "    raise_on_failure=False,\n",
+    "experiment.calculator.type = 'crysfml'\n",
+    "experiment.linked_phases['si'].scale = FULLPROF_SCALE\n",
+    "experiment.linked_phases['si'].scale.free = False\n",
+    "experiment.peak.broad_lorentz_gamma_1 = FULLPROF_GAMMA_1\n",
+    "experiment.peak.broad_lorentz_gamma_1.free = False\n",
+    "\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml = experiment.data.intensity_calc\n",
+    "\n",
+    "project.display.pattern_comparison(\n",
+    "    'si',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_crysfml,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-crysfml',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "20",
+   "id": "17",
    "metadata": {},
    "source": [
-    "## Investigate the discrepancy by refinement\n",
-    "\n",
-    "The `cryspy` divergence is in the time-of-flight **profile**, not the\n",
-    "structure. Mirroring the empirical-asymmetry page, we free the disputed\n",
-    "peak-profile terms with the `cryspy` engine — here the Jorgensen–Von\n",
-    "Dreele Lorentzian `gamma₁` term that drives the discrepancy — and refine\n",
-    "it with everything else fixed, to check whether `cryspy` can then\n",
-    "reproduce the FullProf curve and how far that term has to move.\n",
-    "\n",
-    "Unlike the constant-wavelength asymmetry page, the scale is freed too:\n",
-    "the time-of-flight intensity-scale convention differs between `cryspy`\n",
-    "and FullProf, so the FullProf `.pcr` scale does not carry over and the\n",
-    "scale has to be refined alongside the profile terms."
+    "## Fit ed-crysfml to FullProf"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "21",
+   "id": "18",
    "metadata": {},
    "outputs": [],
    "source": [
-    "# Adjust the initial guess to be closer to the reference, to speed up the fit\n",
     "experiment.linked_phases['si'].scale = 16.5579\n",
-    "experiment.peak.broad_lorentz_gamma_1 = 9.9974"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "22",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "experiment.calculator.type = 'cryspy'\n",
-    "project.analysis.minimizer.type = 'lmfit'\n",
-    "\n",
     "experiment.linked_phases['si'].scale.free = True\n",
-    "experiment.peak.broad_lorentz_gamma_1.free = True"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "23",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.analysis.fit()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "24",
-   "metadata": {},
-   "source": [
-    "## Goodness of fit and refined parameters\n",
     "\n",
-    "What matters here is the refined Lorentzian terms and that the\n",
-    "structure and calibration were never touched; the before/after\n",
-    "closeness table below is the meaningful measure of the improvement."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "25",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.display.fit.results()"
+    "project.analysis.fit()\n",
+    "\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml_refined = experiment.data.intensity_calc\n",
+    "\n",
+    "project.display.pattern_comparison(\n",
+    "    'si',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_crysfml_refined,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-crysfml (refined)',\n",
+    ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "26",
+   "id": "19",
    "metadata": {},
    "source": [
-    "## Refined cryspy vs FullProf"
+    "## Agreement check"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "27",
+   "id": "20",
    "metadata": {},
    "outputs": [],
    "source": [
-    "calc_ed_cryspy_refined = verify.calculate_pattern(project, experiment, 'cryspy')\n",
-    "\n",
-    "project.display.pattern_comparison(\n",
-    "    'si',\n",
-    "    reference=calc_fullprof,\n",
-    "    candidate=calc_ed_cryspy_refined,\n",
-    "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (cryspy, refined)',\n",
+    "verify.assert_patterns_agree(\n",
+    "    [\n",
+    "        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy_refined),\n",
+    "        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml_refined),\n",
+    "    ],\n",
+    "    raise_on_failure=False,\n",
     ")"
    ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "28",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "verify.report_refinement_closeness(calc_fullprof, calc_ed_cryspy, calc_ed_cryspy_refined)"
-   ]
   }
  ],
  "metadata": {
diff --git a/docs/docs/verification/pd-neut-tof_jvd_si.py b/docs/docs/verification/pd-neut-tof_jvd_si.py
index 8d7b750b3..73b20b52e 100644
--- a/docs/docs/verification/pd-neut-tof_jvd_si.py
+++ b/docs/docs/verification/pd-neut-tof_jvd_si.py
@@ -1,18 +1,5 @@
 # %% [markdown]
 # # Si — neutron powder, time-of-flight, Jorgensen–Von Dreele
-#
-# Cross-engine and external-reference verification for silicon in
-# time-of-flight geometry: the **same** pattern is calculated with each
-# EasyDiffraction engine (`cryspy`, `crysfml`) and compared against a
-# **FullProf** reference, on identical input parameters and **without any
-# fitting**.
-#
-# > **Known difference.** For the time-of-flight Jorgensen–Von Dreele
-# > profile with a non-zero Lorentzian (`broad_lorentz_gamma`) term,
-# > the `cryspy` engine currently diverges from FullProf and `crysfml`.
-# > It is shown below for visibility and tracked in the open-issues list;
-# > the agreement check reports it without failing CI, so this page stays
-# > a clean docs build while the regression remains visible.
 
 # %%
 import easydiffraction as ed
@@ -20,13 +7,6 @@
 from easydiffraction import StructureFactory
 from easydiffraction.analysis import verification as verify
 
-# %% [markdown]
-# ## Load the FullProf reference
-
-# %%
-reference_dir = verify.bundled_reference_dir() / 'pd-neut-tof_jvd_si'
-x, calc_fullprof = verify.load_fullprof_profile(str(reference_dir / 'arg_si1.sub'))
-
 # %% [markdown]
 # ## Build the project
 
@@ -51,11 +31,34 @@
     fract_y=0.125,  # FullProf Y
     fract_z=0.125,  # FullProf Z
     adp_type='Biso',  # FullProf Biso
-    adp_iso=0.52451,  # FullProf Biso
+    adp_iso=0.52448,  # FullProf Biso
 )
 
 project.structures.add(structure)
 
+# %% [markdown]
+# ## Load the FullProf reference
+
+# %%
+FULLPROF_PROJECT_DIR = 'pd-neut-tof_jvd_si'
+FULLPROF_SUB_FILE = 'arg_si1.sub'
+FULLPROF_SCALE = 0.6750847  # FullProf Scale
+FULLPROF_TWOTHETA_BANK = 144.845  # FullProf 2ThetaBank
+FULLPROF_DTT1 = 7476.91016  # FullProf Dtt1
+FULLPROF_DTT2 = -1.54  # FullProf Dtt2
+FULLPROF_SIGMA_0 = 3.5544  # FullProf Sigma-0
+FULLPROF_SIGMA_1 = 33.0419  # FullProf Sigma-1
+FULLPROF_SIGMA_2 = 0.0  # FullProf Sigma-2
+FULLPROF_GAMMA_0 = 0.0  # FullProf Gamma-0
+FULLPROF_GAMMA_1 = 2.5430  # FullProf Gamma-1
+FULLPROF_GAMMA_2 = 0.0  # FullProf Gamma-2
+FULLPROF_ALPHA_0 = 0.0  # FullProf alph0
+FULLPROF_ALPHA_1 = 0.597100  # FullProf alph1
+FULLPROF_BETA_0 = 0.042210  # FullProf beta0
+FULLPROF_BETA_1 = 0.009460  # FullProf beta1
+
+x, calc_fullprof = verify.load_fullprof_profile(FULLPROF_PROJECT_DIR, FULLPROF_SUB_FILE)
+
 # %% [markdown]
 # ## Create the experiment
 
@@ -69,141 +72,115 @@
 )
 verify.set_reference_as_measured(experiment, x, calc_fullprof)
 
-experiment.linked_phases.create(id='si', scale=0.6750988)  # FullProf Scale
+experiment.linked_phases.create(id='si', scale=FULLPROF_SCALE)
 
-experiment.instrument.setup_twotheta_bank = 144.845  # FullProf 2ThetaBank
-experiment.instrument.calib_d_to_tof_linear = 7476.91016  # FullProf Dtt1
-experiment.instrument.calib_d_to_tof_quad = -1.54  # FullProf Dtt2
+experiment.instrument.setup_twotheta_bank = FULLPROF_TWOTHETA_BANK
+experiment.instrument.calib_d_to_tof_linear = FULLPROF_DTT1
+experiment.instrument.calib_d_to_tof_quad = FULLPROF_DTT2
 
 experiment.peak.type = 'jorgensen-von-dreele'
-experiment.peak.broad_gauss_sigma_0 = 3.5541  # FullProf Sigma-0
-experiment.peak.broad_gauss_sigma_1 = 33.0418  # FullProf Sigma-1
-experiment.peak.broad_gauss_sigma_2 = 0.0  # FullProf Sigma-2
-experiment.peak.broad_lorentz_gamma_0 = 0.0  # FullProf Gamma-0
-experiment.peak.broad_lorentz_gamma_1 = 2.5432  # FullProf Gamma-1
-experiment.peak.broad_lorentz_gamma_2 = 0.0  # FullProf Gamma-2
-experiment.peak.exp_rise_alpha_0 = 0.0  # FullProf alph0
-experiment.peak.exp_rise_alpha_1 = 0.5971  # FullProf alph1
-experiment.peak.exp_decay_beta_0 = 0.04221  # FullProf beta0
-experiment.peak.exp_decay_beta_1 = 0.00946  # FullProf beta1
+experiment.peak.broad_gauss_sigma_0 = FULLPROF_SIGMA_0
+experiment.peak.broad_gauss_sigma_1 = FULLPROF_SIGMA_1
+experiment.peak.broad_gauss_sigma_2 = FULLPROF_SIGMA_2
+experiment.peak.broad_lorentz_gamma_0 = FULLPROF_GAMMA_0
+experiment.peak.broad_lorentz_gamma_1 = FULLPROF_GAMMA_1
+experiment.peak.broad_lorentz_gamma_2 = FULLPROF_GAMMA_2
+experiment.peak.exp_rise_alpha_0 = FULLPROF_ALPHA_0
+experiment.peak.exp_rise_alpha_1 = FULLPROF_ALPHA_1
+experiment.peak.exp_decay_beta_0 = FULLPROF_BETA_0
+experiment.peak.exp_decay_beta_1 = FULLPROF_BETA_1
 
 project.experiments.add(experiment)
 
 # %% [markdown]
-# ## Calculate the pattern with each engine
+# ## ed-cryspy VS FullProf
 
 # %%
-calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')
-calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')
-
-# %% [markdown]
-# ## Compare each engine against FullProf
-#
-# The FullProf reference is a solid blue line and the engine a red dashed
-# line, with the residual below and closeness metrics in the top-left
-# corner. `crysfml` reproduces FullProf closely; `cryspy` diverges for
-# this profile (see the note at the top).
+experiment.calculator.type = 'cryspy'
+project.analysis.calculate()
+calc_ed_cryspy = experiment.data.intensity_calc
 
-# %%
 project.display.pattern_comparison(
     'si',
     reference=calc_fullprof,
     candidate=calc_ed_cryspy,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (cryspy)',
+    candidate_label='ed-cryspy',
 )
 
+# %% [markdown]
+# ## Fit ed-cryspy to FullProf
+
 # %%
+experiment.calculator.type = 'cryspy'
+experiment.linked_phases['si'].scale = 16.5579
+experiment.peak.broad_lorentz_gamma_1 = 9.9974
+experiment.linked_phases['si'].scale.free = True
+experiment.peak.broad_lorentz_gamma_1.free = True
+
+project.analysis.minimizer.type = 'lmfit'
+project.analysis.fit()
+
+project.analysis.calculate()
+calc_ed_cryspy_refined = experiment.data.intensity_calc
+
 project.display.pattern_comparison(
     'si',
     reference=calc_fullprof,
-    candidate=calc_ed_crysfml,
+    candidate=calc_ed_cryspy_refined,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (crysfml)',
+    candidate_label='ed-cryspy (refined)',
 )
 
 # %% [markdown]
-# ## Compare the two engines with each other
+# ## ed-crysfml VS FullProf
 
 # %%
-project.display.pattern_comparison(
-    'si',
-    reference=calc_ed_crysfml,
-    candidate=calc_ed_cryspy,
-    reference_label='EasyDiffraction (crysfml)',
-    candidate_label='EasyDiffraction (cryspy)',
-)
+experiment.calculator.type = 'crysfml'
+experiment.linked_phases['si'].scale = FULLPROF_SCALE
+experiment.linked_phases['si'].scale.free = False
+experiment.peak.broad_lorentz_gamma_1 = FULLPROF_GAMMA_1
+experiment.peak.broad_lorentz_gamma_1.free = False
 
-# %% [markdown]
-# ## Agreement check
-#
-# `raise_on_failure=False` keeps CI green while still showing the
-# `cryspy` discrepancy in red — it is reported, not enforced, and tracked
-# in the open-issues list.
+project.analysis.calculate()
+calc_ed_crysfml = experiment.data.intensity_calc
 
-# %%
-verify.assert_patterns_agree(
-    [
-        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),
-        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),
-        ('cryspy vs crysfml', calc_ed_cryspy, calc_ed_crysfml),
-    ],
-    raise_on_failure=False,
+project.display.pattern_comparison(
+    'si',
+    reference=calc_fullprof,
+    candidate=calc_ed_crysfml,
+    reference_label='FullProf',
+    candidate_label='ed-crysfml',
 )
 
 # %% [markdown]
-# ## Investigate the discrepancy by refinement
-#
-# The `cryspy` divergence is in the time-of-flight **profile**, not the
-# structure. Mirroring the empirical-asymmetry page, we free the disputed
-# peak-profile terms with the `cryspy` engine — here the Jorgensen–Von
-# Dreele Lorentzian `gamma₁` term that drives the discrepancy — and refine
-# it with everything else fixed, to check whether `cryspy` can then
-# reproduce the FullProf curve and how far that term has to move.
-#
-# Unlike the constant-wavelength asymmetry page, the scale is freed too:
-# the time-of-flight intensity-scale convention differs between `cryspy`
-# and FullProf, so the FullProf `.pcr` scale does not carry over and the
-# scale has to be refined alongside the profile terms.
+# ## Fit ed-crysfml to FullProf
 
 # %%
-# Adjust the initial guess to be closer to the reference, to speed up the fit
 experiment.linked_phases['si'].scale = 16.5579
-experiment.peak.broad_lorentz_gamma_1 = 9.9974
-
-# %%
-experiment.calculator.type = 'cryspy'
-project.analysis.minimizer.type = 'lmfit'
-
 experiment.linked_phases['si'].scale.free = True
-experiment.peak.broad_lorentz_gamma_1.free = True
 
-# %%
 project.analysis.fit()
 
-# %% [markdown]
-# ## Goodness of fit and refined parameters
-#
-# What matters here is the refined Lorentzian terms and that the
-# structure and calibration were never touched; the before/after
-# closeness table below is the meaningful measure of the improvement.
-
-# %%
-project.display.fit.results()
-
-# %% [markdown]
-# ## Refined cryspy vs FullProf
-
-# %%
-calc_ed_cryspy_refined = verify.calculate_pattern(project, experiment, 'cryspy')
+project.analysis.calculate()
+calc_ed_crysfml_refined = experiment.data.intensity_calc
 
 project.display.pattern_comparison(
     'si',
     reference=calc_fullprof,
-    candidate=calc_ed_cryspy_refined,
+    candidate=calc_ed_crysfml_refined,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (cryspy, refined)',
+    candidate_label='ed-crysfml (refined)',
 )
 
+# %% [markdown]
+# ## Agreement check
+
 # %%
-verify.report_refinement_closeness(calc_fullprof, calc_ed_cryspy, calc_ed_cryspy_refined)
+verify.assert_patterns_agree(
+    [
+        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy_refined),
+        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml_refined),
+    ],
+    raise_on_failure=False,
+)

From 125127c93ba44dc2ef5c1acbe739382276447a30 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 15:56:29 +0200
Subject: [PATCH 19/41] Replace NCAF reference with single-pattern FullProf
 data

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 .../pd-neut-tof_jvd_ncaf/55025-1_10raw.gss    | 4473 ------------
 .../pd-neut-tof_jvd_ncaf/55025-2_9raw.gss     | 4409 ------------
 .../pd-neut-tof_jvd_ncaf/55025-3_8raw.gss     | 3983 -----------
 .../pd-neut-tof_jvd_ncaf/55025-4_7raw.gss     | 4055 -----------
 .../TOF_irf_LookUpTable.irf                   |  252 -
 .../pd-neut-tof_jvd_ncaf/TOF_irf_ShapePar.irf |   19 -
 .../pd-neut-tof_jvd_ncaf/TOF_irf_file.irf     |  434 +-
 .../pd-neut-tof_jvd_ncaf/ncaf_tof.sub         | 3791 -----------
 ...{tmpl_one_bank_1.bac => tmpl_one_bank.bac} |    0
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank.new    |  372 -
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank.out    | 2458 +++----
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank.pcr    |  274 +-
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank.prf    | 5972 +++++++++++++++++
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank.sum    |   86 +-
 ...mpl_one_bank1_1.sub => tmpl_one_bank1.sub} | 3964 +++++------
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank1_2.sub | 4045 -----------
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank1_3.sub | 3973 -----------
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank1_4.sub | 4399 ------------
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank1_5.sub | 4463 ------------
 .../pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.prf  | 5934 ----------------
 20 files changed, 9118 insertions(+), 48238 deletions(-)
 delete mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-1_10raw.gss
 delete mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-2_9raw.gss
 delete mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-3_8raw.gss
 delete mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-4_7raw.gss
 delete mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_LookUpTable.irf
 delete mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_ShapePar.irf
 delete mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/ncaf_tof.sub
 rename docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/{tmpl_one_bank_1.bac => tmpl_one_bank.bac} (100%)
 delete mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.new
 create mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.prf
 rename docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/{tmpl_one_bank1_1.sub => tmpl_one_bank1.sub} (52%)
 delete mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_2.sub
 delete mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_3.sub
 delete mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_4.sub
 delete mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_5.sub
 delete mode 100644 docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.prf

diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-1_10raw.gss b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-1_10raw.gss
deleted file mode 100644
index 4db176387..000000000
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-1_10raw.gss
+++ /dev/null
@@ -1,4473 +0,0 @@
-NaCaAlF HRSF 37K<CH4_T<42K                                                      
-# 1 Histograms
-# File generated by Mantid:
-# Instrument: WISH
-# From workspace named : w55025-1_10foc
-# with Y multiplied by the bin widths.
-# Primary flight path 40m 
-# Total flight path 42.2223m, tth 27.0805deg, DIFC 4997.65
-# Data for spectrum :0
-BANK 1 4463 4463 RALF   128014      120   128014 0.00094 FXYE
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diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-2_9raw.gss b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-2_9raw.gss
deleted file mode 100644
index 4d38f78ad..000000000
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-2_9raw.gss
+++ /dev/null
@@ -1,4409 +0,0 @@
-NaCaAlF HRSF 37K<CH4_T<42K                                                      
-# 1 Histograms
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-# with Y multiplied by the bin widths.
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-# Total flight path 42.2222m, tth 58.308deg, DIFC 10398.8
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diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-3_8raw.gss b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-3_8raw.gss
deleted file mode 100644
index d84c86661..000000000
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-3_8raw.gss
+++ /dev/null
@@ -1,3983 +0,0 @@
-NaCaAlF HRSF 37K<CH4_T<42K                                                      
-# 1 Histograms
-# File generated by Mantid:
-# Instrument: WISH
-# From workspace named : w55025-3_8foc
-# with Y multiplied by the bin widths.
-# Primary flight path 40m 
-# Total flight path 42.2222m, tth 89.9996deg, DIFC 15093.7
-# Data for spectrum :0
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diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-4_7raw.gss b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-4_7raw.gss
deleted file mode 100644
index c95b62cf0..000000000
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/55025-4_7raw.gss
+++ /dev/null
@@ -1,4055 +0,0 @@
-NaCaAlF HRSF 37K<CH4_T<42K                                                      
-# 1 Histograms
-# File generated by Mantid:
-# Instrument: WISH
-# From workspace named : w55025-4_7foc
-# with Y multiplied by the bin widths.
-# Primary flight path 40m 
-# Total flight path 42.2223m, tth 121.683deg, DIFC 18640.7
-# Data for spectrum :0
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-   105524.57972       16.01450442        2.89488821
-   105594.60711       16.68802476        2.99193860
-   105664.68097       18.25088428        3.16897577
-   105734.80133       14.83154268        2.88931392
-   105804.96822       21.16594623        3.47980424
-   105875.18168       23.44214779        3.71463189
-   105945.44174       16.58798496        3.18121307
-   106015.74841       19.97279523        3.49731878
-   106086.10175       21.78009084        3.71790000
-   106156.50177       17.83338510        3.38193877
-   106226.94851       15.84504362        3.24460469
-   106297.44200       17.06120811        3.41431579
-   106367.98227       19.51381833        3.70101140
-   106438.56935       19.78184681        3.77195109
-   106509.20327       23.93427846        4.20961261
-   106579.88407       18.93771902        3.77489200
-   106650.61177       17.03679456        3.64364840
-   106721.38641       19.12463254        3.94861560
-   106792.20801       21.22962310        4.24617438
-   106863.07662       20.96160237        4.24232615
-   106933.99225       24.07486139        4.61289462
-   107004.95494       17.50009977        3.98585513
-   107075.96472       15.73012547        3.87174136
-   107147.02163       16.53132075        4.03142317
-   107218.12569       14.75573635        3.86823550
-   107289.27694       17.08143843        4.25546409
-   107360.47540       21.87443173        4.89423839
-   107431.72111       12.89250482        3.84705184
-   107503.01410       16.46155134        4.48418783
-   107574.35440       21.69634914        5.23449761
-   107645.74205       19.14841007        5.07523267
-   107717.17707       20.15379625        5.33158962
-   107788.65949       17.67055316        5.10279862
-   107860.18935       18.93572170        5.44487501
-   107931.76668       24.69475116        6.38443512
-   108003.39150       16.47862794        5.34119841
-   108075.06386       20.50104553        6.09894893
-   108146.78378       25.98769368        7.08244546
-   108218.55130       14.89209267        5.50890518
-   108290.36644       18.92156755        6.32547362
-   108362.22924       16.77316601        6.09599520
-   108434.13973       11.24487383        5.09620868
-   108506.09793       16.11325530        6.21907468
-   108578.10389       10.39837809        5.14408565
-   108650.15764        8.15171567        4.71164866
-   108722.25920        8.25618953        4.74416546
-   108794.40861        9.25227781        5.18342122
-   108866.60589       11.62516144        5.92286324
-   108938.85109        9.11299593        5.38376015
-   109011.14423       15.91029302        7.35157796
-   109083.48535        9.52609861        5.81356566
-   109155.87447        1.24436770        2.14781420
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_LookUpTable.irf b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_LookUpTable.irf
deleted file mode 100644
index 1b45b6b28..000000000
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_LookUpTable.irf
+++ /dev/null
@@ -1,252 +0,0 @@
-  Instrumental Resolution Parameters for TOF (numerical look-up table) from: highres
-! To be used with functions NPROF=9 in FullProf (Res=5)
-! This file can be used only for the effective range of d-spacings given in the list
-! ----------------------------------------------------  Bank 1
-!  Type of profile function: back-to-back expon * pseudo-Voigt
-NPROF   9
-!       Tof-min(us)       step      Tof-max(us)
-TOFRG    7267.56836      23.35353  103417.67188
-!             Dtt1              Dtt2       Dtt_1overD         Zero
-D2TOF     20773.12305        -1.08308         0.00000       -13.88128
-!     TOF-TWOTH of the bank
-TWOTH     152.827
-!       d-spacing       Sigma^2         Gamma            Alpha           Beta            Shift    for pattern # 1
-LIST_SIG_GAM_ALF_BET_SHIFT    NPOINTS <- Put here the number of points by editing NPOINTS below
-         0.43471         0.56050         0.00000         0.24290         0.27856         0.00000
-         0.43628         0.56865         0.00000         0.24199         0.27466         0.00000
-         0.43787         0.57698         0.00000         0.24108         0.27080         0.00000
-         0.43948         0.58550         0.00000         0.24016         0.26695         0.00000
-         0.44192         0.59863         0.00000         0.23878         0.26124         0.00000
-         0.44357         0.60763         0.00000         0.23786         0.25747         0.00000
-         0.44524         0.61684         0.00000         0.23693         0.25373         0.00000
-         0.44693         0.62626         0.00000         0.23600         0.25002         0.00000
-         0.44864         0.63589         0.00000         0.23507         0.24633         0.00000
-         0.45037         0.64575         0.00000         0.23413         0.24267         0.00000
-         0.45212         0.65584         0.00000         0.23319         0.23904         0.00000
-         0.45389         0.66617         0.00000         0.23224         0.23544         0.00000
-         0.45568         0.67674         0.00000         0.23129         0.23187         0.00000
-         0.45749         0.68757         0.00000         0.23034         0.22832         0.00000
-         0.45932         0.69866         0.00000         0.22938         0.22480         0.00000
-         0.46118         0.71002         0.00000         0.22842         0.22131         0.00000
-         0.46306         0.72166         0.00000         0.22746         0.21785         0.00000
-         0.46496         0.73359         0.00000         0.22649         0.21442         0.00000
-         0.46689         0.74581         0.00000         0.22552         0.21101         0.00000
-         0.46884         0.75835         0.00000         0.22454         0.20764         0.00000
-         0.47081         0.77120         0.00000         0.22356         0.20429         0.00000
-         0.47281         0.78438         0.00000         0.22258         0.20097         0.00000
-         0.47382         0.79110         0.00000         0.22208         0.19932         0.00000
-         0.47483         0.79791         0.00000         0.22159         0.19767         0.00000
-         0.47586         0.80480         0.00000         0.22109         0.19604         0.00000
-         0.47689         0.81178         0.00000         0.22059         0.19441         0.00000
-         0.47792         0.81886         0.00000         0.22010         0.19279         0.00000
-         0.47896         0.82603         0.00000         0.21960         0.19117         0.00000
-         0.48001         0.83329         0.00000         0.21910         0.18957         0.00000
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-         0.48320         0.85566         0.00000         0.21759         0.18479         0.00000
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-         0.48866         0.89499         0.00000         0.21506         0.17696         0.00000
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-         1.26172        39.77747         0.00000         0.07761         0.01054         0.00000
-         1.28128        42.30241         0.00000         0.07628         0.01031         0.00000
-         1.30178        45.07560         0.00000         0.07493         0.01009         0.00000
-         1.34592        51.50732         0.00000         0.07217         0.00966         0.00000
-         1.36975        55.25212         0.00000         0.07075         0.00946         0.00000
-         1.39488        59.42065         0.00000         0.06931         0.00927         0.00000
-         1.42145        64.07938         0.00000         0.06784         0.00908         0.00000
-         1.44960        69.30823         0.00000         0.06635         0.00890         0.00000
-         1.47950        75.20427         0.00000         0.06482         0.00873         0.00000
-         1.51132        81.88592         0.00000         0.06326         0.00857         0.00000
-         1.54528        89.49927         0.00000         0.06166         0.00841         0.00000
-         1.58165        98.22598         0.00000         0.06003         0.00826         0.00000
-         1.62071       108.29414         0.00000         0.05836         0.00811         0.00000
-         1.66281       119.99350         0.00000         0.05665         0.00797         0.00000
-         1.70838       133.69649         0.00000         0.05489         0.00784         0.00000
-         1.75790       149.88809         0.00000         0.05308         0.00772         0.00000
-         1.81201       169.20963         0.00000         0.05122         0.00761         0.00000
-         1.87143       192.52295         0.00000         0.04930         0.00750         0.00000
-         2.01024       256.31757         0.00000         0.04526         0.00730         0.00000
-         2.09232       300.81702         0.00000         0.04312         0.00721         0.00000
-         2.18536       357.99722         0.00000         0.04089         0.00713         0.00000
-         2.29203       433.17676         0.00000         0.03855         0.00706         0.00000
-         2.41601       534.78577         0.00000         0.03610         0.00699         0.00000
-         2.56256       676.83850         0.00000         0.03350         0.00693         0.00000
-         2.73950       884.03394         0.00000         0.03074         0.00688         0.00000
-         2.95899      1203.26831         0.00000         0.02777         0.00683         0.00000
-         3.24142      1732.70618         0.00000         0.02454         0.00679         0.00000
-         3.62401      2707.35400         0.00000         0.02097         0.00676         0.00000
-         4.18465      4813.07227         0.00000         0.01692         0.00674         0.00000
-NPOINTS   236   <- Remove this line and put NPOINTS in the item LIST_SIG_GAM_ALF_BET
-END
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_ShapePar.irf b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_ShapePar.irf
deleted file mode 100644
index 8962e9bf0..000000000
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_ShapePar.irf
+++ /dev/null
@@ -1,19 +0,0 @@
-  Instrumental Resolution Parameters for TOF (Peak-Shape parameters) from: highres
-! To be used with functions NPROF=9 in FullProf (Res=5)
-! If shape parameters are null they have to be given manually
-! It is supposed that the instrumental profile parameters are those of Phase # 1
-! ----------------------------------------------------  Bank 1
-!  Type of profile function: back-to-back expon * pseudo-Voigt
-NPROF   9
-!       Tof-min(us)       step      Tof-max(us)
-TOFRG    7267.56836      23.35353  103417.67188
-!             Dtt1              Dtt2       Dtt_1overD         Zero
-D2TOF     20773.12305        -1.08308         0.00000       -13.88128
-!      TOF-2Theta of the bank
-TWOTH     152.827
-!         Sigma-2_i     Sigma-1_i     Sigma-0_i     Sigma-Q_i
-SIGMA       15.6959        0.0000        0.0000        0.0000
-!         Gamma-2_i     Gamma-1_i     Gamma-0_i
-GAMMA        0.0000        0.0000        0.0000
-!           alph0_i       beta0_i       alph1_i       beta1_i       alphQ_i       betaQ_i
-ALFBE     -0.009276      0.006705      0.109622      0.009708      0.000000      0.000000
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_file.irf b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_file.irf
index 05ab244a7..9452e489e 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_file.irf
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/TOF_irf_file.irf
@@ -6,246 +6,246 @@ NPROF   9
 !       Tof-min(us)       step      Tof-max(us)
 TOFRG    7267.56836      23.35353  103417.67188
 !             Dtt1              Dtt2       Dtt_1overD         Zero
-D2TOF     20773.12305        -1.08308         0.00000       -13.88166
+D2TOF     20773.12305        -1.08308         0.00000       -13.88128
 !     TOF-TWOTH of the bank
 TWOTH     152.827
 !       d-spacing       Sigma^2         Gamma            Alpha           Beta            Shift    for pattern # 1
 LIST_SIG_GAM_ALF_BET_SHIFT    NPOINTS <- Put here the number of points by editing NPOINTS below
          0.43471         0.56050         0.00000         0.24290         0.27856         0.00000
-         0.43628         0.56866         0.00000         0.24199         0.27466         0.00000
-         0.43787         0.57699         0.00000         0.24108         0.27080         0.00000
+         0.43628         0.56865         0.00000         0.24199         0.27466         0.00000
+         0.43787         0.57698         0.00000         0.24108         0.27080         0.00000
          0.43948         0.58550         0.00000         0.24016         0.26695         0.00000
-         0.44192         0.59864         0.00000         0.23878         0.26124         0.00000
-         0.44357         0.60764         0.00000         0.23786         0.25747         0.00000
+         0.44192         0.59863         0.00000         0.23878         0.26124         0.00000
+         0.44357         0.60763         0.00000         0.23786         0.25747         0.00000
          0.44524         0.61684         0.00000         0.23693         0.25373         0.00000
          0.44693         0.62626         0.00000         0.23600         0.25002         0.00000
-         0.44864         0.63590         0.00000         0.23507         0.24633         0.00000
-         0.45037         0.64576         0.00000         0.23413         0.24267         0.00000
-         0.45212         0.65585         0.00000         0.23319         0.23904         0.00000
+         0.44864         0.63589         0.00000         0.23507         0.24633         0.00000
+         0.45037         0.64575         0.00000         0.23413         0.24267         0.00000
+         0.45212         0.65584         0.00000         0.23319         0.23904         0.00000
          0.45389         0.66617         0.00000         0.23224         0.23544         0.00000
-         0.45568         0.67675         0.00000         0.23129         0.23187         0.00000
-         0.45749         0.68758         0.00000         0.23034         0.22832         0.00000
-         0.45932         0.69867         0.00000         0.22939         0.22480         0.00000
-         0.46118         0.71003         0.00000         0.22842         0.22131         0.00000
+         0.45568         0.67674         0.00000         0.23129         0.23187         0.00000
+         0.45749         0.68757         0.00000         0.23034         0.22832         0.00000
+         0.45932         0.69866         0.00000         0.22938         0.22480         0.00000
+         0.46118         0.71002         0.00000         0.22842         0.22131         0.00000
          0.46306         0.72166         0.00000         0.22746         0.21785         0.00000
          0.46496         0.73359         0.00000         0.22649         0.21442         0.00000
-         0.46689         0.74582         0.00000         0.22552         0.21101         0.00000
+         0.46689         0.74581         0.00000         0.22552         0.21101         0.00000
          0.46884         0.75835         0.00000         0.22454         0.20764         0.00000
-         0.47081         0.77121         0.00000         0.22356         0.20429         0.00000
-         0.47281         0.78439         0.00000         0.22258         0.20097         0.00000
-         0.47382         0.79111         0.00000         0.22208         0.19932         0.00000
+         0.47081         0.77120         0.00000         0.22356         0.20429         0.00000
+         0.47281         0.78438         0.00000         0.22258         0.20097         0.00000
+         0.47382         0.79110         0.00000         0.22208         0.19932         0.00000
          0.47483         0.79791         0.00000         0.22159         0.19767         0.00000
-         0.47586         0.80481         0.00000         0.22109         0.19604         0.00000
-         0.47689         0.81179         0.00000         0.22060         0.19441         0.00000
+         0.47586         0.80480         0.00000         0.22109         0.19604         0.00000
+         0.47689         0.81178         0.00000         0.22059         0.19441         0.00000
          0.47792         0.81886         0.00000         0.22010         0.19279         0.00000
          0.47896         0.82603         0.00000         0.21960         0.19117         0.00000
          0.48001         0.83329         0.00000         0.21910         0.18957         0.00000
          0.48107         0.84065         0.00000         0.21860         0.18797         0.00000
-         0.48213         0.84811         0.00000         0.21810         0.18637         0.00000
+         0.48213         0.84810         0.00000         0.21809         0.18637         0.00000
          0.48320         0.85566         0.00000         0.21759         0.18479         0.00000
-         0.48536         0.87108         0.00000         0.21658         0.18163         0.00000
-         0.48755         0.88692         0.00000         0.21557         0.17851         0.00000
-         0.48866         0.89500         0.00000         0.21506         0.17696         0.00000
-         0.48978         0.90319         0.00000         0.21455         0.17541         0.00000
-         0.49090         0.91150         0.00000         0.21404         0.17388         0.00000
-         0.49203         0.91992         0.00000         0.21352         0.17235         0.00000
+         0.48536         0.87107         0.00000         0.21658         0.18163         0.00000
+         0.48755         0.88691         0.00000         0.21556         0.17851         0.00000
+         0.48866         0.89499         0.00000         0.21506         0.17696         0.00000
+         0.48978         0.90319         0.00000         0.21454         0.17541         0.00000
+         0.49090         0.91149         0.00000         0.21403         0.17388         0.00000
+         0.49203         0.91991         0.00000         0.21352         0.17235         0.00000
          0.49317         0.92845         0.00000         0.21301         0.17082         0.00000
-         0.49431         0.93711         0.00000         0.21249         0.16931         0.00000
-         0.49546         0.94589         0.00000         0.21198         0.16780         0.00000
+         0.49431         0.93710         0.00000         0.21249         0.16931         0.00000
+         0.49546         0.94588         0.00000         0.21197         0.16780         0.00000
          0.49663         0.95479         0.00000         0.21146         0.16630         0.00000
-         0.49780         0.96382         0.00000         0.21094         0.16480         0.00000
-         0.49897         0.97298         0.00000         0.21042         0.16331         0.00000
-         0.50016         0.98227         0.00000         0.20990         0.16183         0.00000
-         0.50136         0.99169         0.00000         0.20938         0.16036         0.00000
-         0.50256         1.00125         0.00000         0.20885         0.15889         0.00000
+         0.49780         0.96381         0.00000         0.21094         0.16480         0.00000
+         0.49897         0.97297         0.00000         0.21042         0.16331         0.00000
+         0.50016         0.98226         0.00000         0.20990         0.16183         0.00000
+         0.50136         0.99168         0.00000         0.20937         0.16036         0.00000
+         0.50256         1.00124         0.00000         0.20885         0.15889         0.00000
          0.50377         1.01094         0.00000         0.20833         0.15743         0.00000
-         0.50622         1.03077         0.00000         0.20727         0.15453         0.00000
-         0.50746         1.04090         0.00000         0.20675         0.15310         0.00000
-         0.50871         1.05118         0.00000         0.20622         0.15166         0.00000
-         0.50997         1.06161         0.00000         0.20568         0.15024         0.00000
-         0.51124         1.07220         0.00000         0.20515         0.14882         0.00000
-         0.51251         1.08295         0.00000         0.20462         0.14741         0.00000
-         0.51380         1.09386         0.00000         0.20408         0.14601         0.00000
-         0.51509         1.10494         0.00000         0.20355         0.14461         0.00000
+         0.50622         1.03076         0.00000         0.20727         0.15453         0.00000
+         0.50746         1.04089         0.00000         0.20674         0.15310         0.00000
+         0.50871         1.05117         0.00000         0.20621         0.15166         0.00000
+         0.50997         1.06160         0.00000         0.20568         0.15024         0.00000
+         0.51124         1.07219         0.00000         0.20515         0.14882         0.00000
+         0.51251         1.08294         0.00000         0.20462         0.14741         0.00000
+         0.51380         1.09385         0.00000         0.20408         0.14601         0.00000
+         0.51509         1.10493         0.00000         0.20354         0.14461         0.00000
          0.51640         1.11618         0.00000         0.20301         0.14322         0.00000
-         0.51772         1.12760         0.00000         0.20247         0.14184         0.00000
-         0.51904         1.13920         0.00000         0.20193         0.14046         0.00000
-         0.52038         1.15097         0.00000         0.20138         0.13909         0.00000
-         0.52172         1.16293         0.00000         0.20084         0.13773         0.00000
-         0.52308         1.17507         0.00000         0.20030         0.13638         0.00000
-         0.52445         1.18741         0.00000         0.19975         0.13503         0.00000
+         0.51772         1.12759         0.00000         0.20247         0.14184         0.00000
+         0.51904         1.13919         0.00000         0.20192         0.14046         0.00000
+         0.52038         1.15096         0.00000         0.20138         0.13909         0.00000
+         0.52172         1.16292         0.00000         0.20084         0.13773         0.00000
+         0.52308         1.17507         0.00000         0.20029         0.13638         0.00000
+         0.52445         1.18740         0.00000         0.19975         0.13503         0.00000
          0.52722         1.21267         0.00000         0.19865         0.13236         0.00000
-         0.52862         1.22561         0.00000         0.19810         0.13103         0.00000
-         0.53003         1.23875         0.00000         0.19755         0.12971         0.00000
-         0.53145         1.25211         0.00000         0.19700         0.12840         0.00000
-         0.53289         1.26568         0.00000         0.19644         0.12710         0.00000
-         0.53579         1.29350         0.00000         0.19532         0.12451         0.00000
-         0.53726         1.30775         0.00000         0.19477         0.12322         0.00000
-         0.53874         1.32224         0.00000         0.19420         0.12195         0.00000
-         0.54024         1.33697         0.00000         0.19364         0.12068         0.00000
-         0.54174         1.35195         0.00000         0.19308         0.11941         0.00000
-         0.54326         1.36719         0.00000         0.19251         0.11816         0.00000
-         0.54479         1.38268         0.00000         0.19194         0.11691         0.00000
-         0.54634         1.39844         0.00000         0.19137         0.11567         0.00000
-         0.54790         1.41446         0.00000         0.19080         0.11443         0.00000
-         0.55106         1.44736         0.00000         0.18966         0.11198         0.00000
+         0.52862         1.22560         0.00000         0.19810         0.13103         0.00000
+         0.53003         1.23874         0.00000         0.19755         0.12971         0.00000
+         0.53145         1.25210         0.00000         0.19699         0.12840         0.00000
+         0.53289         1.26567         0.00000         0.19644         0.12710         0.00000
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+         0.53726         1.30774         0.00000         0.19476         0.12322         0.00000
+         0.53874         1.32223         0.00000         0.19420         0.12195         0.00000
+         0.54024         1.33696         0.00000         0.19364         0.12068         0.00000
+         0.54174         1.35194         0.00000         0.19307         0.11941         0.00000
+         0.54326         1.36718         0.00000         0.19251         0.11816         0.00000
+         0.54479         1.38267         0.00000         0.19194         0.11691         0.00000
+         0.54634         1.39843         0.00000         0.19137         0.11567         0.00000
+         0.54790         1.41445         0.00000         0.19080         0.11443         0.00000
+         0.55106         1.44735         0.00000         0.18965         0.11198         0.00000
          0.55266         1.46423         0.00000         0.18908         0.11077         0.00000
-         0.55427         1.48141         0.00000         0.18850         0.10956         0.00000
-         0.55590         1.49889         0.00000         0.18792         0.10836         0.00000
-         0.55754         1.51668         0.00000         0.18734         0.10717         0.00000
-         0.55920         1.53479         0.00000         0.18676         0.10599         0.00000
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-         0.56256         1.57200         0.00000         0.18559         0.10364         0.00000
-         0.56426         1.59111         0.00000         0.18500         0.10247         0.00000
-         0.56598         1.61057         0.00000         0.18441         0.10132         0.00000
-         0.56771         1.63039         0.00000         0.18382         0.10017         0.00000
-         0.56946         1.65058         0.00000         0.18323         0.09902         0.00000
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-         0.57301         1.69211         0.00000         0.18204         0.09676         0.00000
-         0.57481         1.71346         0.00000         0.18144         0.09563         0.00000
-         0.57846         1.75739         0.00000         0.18023         0.09341         0.00000
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-         0.58789         1.87491         0.00000         0.17719         0.08798         0.00000
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-         0.60400         2.08902         0.00000         0.17222         0.07965         0.00000
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-         0.61257         2.21010         0.00000         0.16968         0.07565         0.00000
-         0.61477         2.24201         0.00000         0.16904         0.07467         0.00000
-         0.61699         2.27462         0.00000         0.16840         0.07369         0.00000
-         0.61924         2.30795         0.00000         0.16775         0.07273         0.00000
-         0.62151         2.34202         0.00000         0.16710         0.07177         0.00000
-         0.62381         2.37684         0.00000         0.16646         0.07081         0.00000
-         0.62613         2.41245         0.00000         0.16580         0.06987         0.00000
-         0.62848         2.44886         0.00000         0.16515         0.06893         0.00000
-         0.63086         2.48611         0.00000         0.16449         0.06800         0.00000
-         0.63326         2.52421         0.00000         0.16383         0.06707         0.00000
-         0.63569         2.56319         0.00000         0.16317         0.06615         0.00000
-         0.63815         2.60308         0.00000         0.16251         0.06524         0.00000
-         0.64064         2.64392         0.00000         0.16184         0.06434         0.00000
-         0.64316         2.68572         0.00000         0.16117         0.06344         0.00000
-         0.64828         2.77235         0.00000         0.15982         0.06167         0.00000
-         0.65089         2.81724         0.00000         0.15914         0.06079         0.00000
-         0.65353         2.86324         0.00000         0.15846         0.05992         0.00000
-         0.65621         2.91037         0.00000         0.15778         0.05906         0.00000
-         0.65891         2.95867         0.00000         0.15709         0.05821         0.00000
-         0.66443         3.05896         0.00000         0.15571         0.05652         0.00000
-         0.66723         3.11103         0.00000         0.15502         0.05568         0.00000
-         0.67008         3.16443         0.00000         0.15432         0.05486         0.00000
-         0.67296         3.21923         0.00000         0.15362         0.05404         0.00000
-         0.67588         3.27546         0.00000         0.15292         0.05323         0.00000
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-         0.68184         3.39243         0.00000         0.15150         0.05162         0.00000
-         0.68487         3.45328         0.00000         0.15079         0.05083         0.00000
-         0.68795         3.51578         0.00000         0.15007         0.05005         0.00000
-         0.69423         3.64598         0.00000         0.14863         0.04850         0.00000
-         0.69744         3.71382         0.00000         0.14790         0.04773         0.00000
-         0.70069         3.78356         0.00000         0.14717         0.04698         0.00000
-         0.70399         3.85528         0.00000         0.14644         0.04623         0.00000
-         0.70733         3.92906         0.00000         0.14570         0.04549         0.00000
-         0.71073         4.00499         0.00000         0.14496         0.04475         0.00000
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+         1.75790       149.88812         0.00000         0.05308         0.00772         0.00000
+         1.81201       169.20963         0.00000         0.05122         0.00761         0.00000
+         1.87143       192.52295         0.00000         0.04930         0.00750         0.00000
+         2.01024       256.31757         0.00000         0.04526         0.00730         0.00000
+         2.09232       300.81714         0.00000         0.04312         0.00721         0.00000
+         2.18536       357.99722         0.00000         0.04089         0.00713         0.00000
+         2.29203       433.17654         0.00000         0.03855         0.00706         0.00000
+         2.41601       534.78577         0.00000         0.03610         0.00699         0.00000
+         2.56256       676.83850         0.00000         0.03350         0.00693         0.00000
+         2.73950       884.03394         0.00000         0.03074         0.00688         0.00000
+         2.95899      1203.26831         0.00000         0.02777         0.00683         0.00000
+         3.24142      1732.70679         0.00000         0.02454         0.00679         0.00000
+         3.62401      2707.35400         0.00000         0.02097         0.00676         0.00000
+         4.18465      4813.07422         0.00000         0.01692         0.00674         0.00000
 NPOINTS   236   <- Remove this line and put NPOINTS in the item LIST_SIG_GAM_ALF_BET
 END
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/ncaf_tof.sub b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/ncaf_tof.sub
deleted file mode 100644
index 85c305a7f..000000000
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/ncaf_tof.sub
+++ /dev/null
@@ -1,3791 +0,0 @@
-! Phase No.:   1 Y5Al3O12 Nuclear
-   9014.964844      166.9024
-   9020.766602       34.1883
-   9026.572266       10.4158
-   9032.381836        8.4155
-   9038.194336       15.0897
-   9044.010742       57.9783
-   9049.832031       40.7401
-   9055.655273       18.7621
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diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.bac b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.bac
similarity index 100%
rename from docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.bac
rename to docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.bac
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.new b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.new
deleted file mode 100644
index 697904018..000000000
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.new
+++ /dev/null
@@ -1,372 +0,0 @@
-COMM YAG highres
-! Current global Chi2 (Bragg contrib.) =      15.94    
-NPATT      5       1 0 0 0 0 <- Flags for patterns (1:refined, 0: excluded)
-W_PAT   1.000 1.000 1.000 1.000 1.000
-!Nph Dum Ias Nre Cry Opt Aut
-   1   1   1   0   0   0   1
-!Job Npr Nba Nex Nsc Nor Iwg Ilo Res Ste Uni Cor Anm Int
-  -1  13  28   2   0   1   0   0   0   0   1   0   0   0  !-> Patt#: 1
-  -1  13  28   2   0   1   0   0   0   0   1   0   0   0  !-> Patt#: 2
-  -1  13  22   2   0   1   0   0   0   0   1   0   0   0  !-> Patt#: 3
-  -1  13  22   2   0   1   0   0   0   0   1   0   0   0  !-> Patt#: 4
-  -1  13  36   2   0   1   0   0   0   0   1   0   0   0  !-> Patt#: 5
-!
-!File names of data(patterns) files
-55025-5_6raw.gss
-55025-4_7raw.gss
-55025-3_8raw.gss
-55025-2_9raw.gss
-55025-1_10raw.gss
-!
-!Mat Pcr NLI Rpa Sym Sho
-   0   2   0   0   0   0
-!Ipr Ppl Ioc Ls1 Ls2 Ls3 Prf Ins Hkl Fou Ana
-   0   2   1   0   4   0   3  14   0   0   0  !-> Patt#: 1
-   0   2   1   0   4   0   3  14   0   0   0  !-> Patt#: 2
-   0   2   1   0   4   0   3  14   0   0   0  !-> Patt#: 3
-   0   2   1   0   4   0   3  14   0   0   0  !-> Patt#: 4
-   0   2   1   0   4   0   3  14   0   0   0  !-> Patt#: 5
-!
-!  Bkpos        Wdt    Iabscor for Pattern#  1
-    3000.000   40.00     2
-!  Bkpos        Wdt    Iabscor for Pattern#  2
-   10000.000   40.00     2
-!  Bkpos        Wdt    Iabscor for Pattern#  3
-    2400.000   40.00     2
-!  Bkpos        Wdt    Iabscor for Pattern#  4
-    2000.000   40.00     2
-!  Bkpos        Wdt    Iabscor for Pattern#  5
-    2000.000   40.00     2
-!NCY  Eps  R_at  R_an  R_pr  R_gl
- 20  0.30  0.30  0.30  0.30  0.30
-!    TOF-min      <Step>       TOF-max  -> Patt#: 1
-   7267.5684     23.3535 103417.6719
-!    TOF-min      <Step>       TOF-max  -> Patt#: 2
-   7463.4634     25.1588 109083.4844
-!    TOF-min      <Step>       TOF-max  -> Patt#: 3
-   7549.5366     27.6114 117086.1953
-!    TOF-min      <Step>       TOF-max  -> Patt#: 4
-   5202.2002     29.7808 136018.0156
-!    TOF-min      <Step>       TOF-max  -> Patt#: 5
-   4002.3171     58.7510 265781.8438
-!
-!2Theta/TOF/E(Kev)   Background  for Pattern#  1
-     11136.8740       522.6290        271.00
-     13313.3877       560.0869        281.00
-      9162.3037       291.1873        291.00
-     14906.5078       549.0039        301.00
-     16454.7500       531.0761        311.00
-     17352.2812       495.8993        321.00
-     18743.4551       428.6949        331.00
-     20179.5078       452.5473        341.00
-     21368.7363       397.2759        351.00
-     22176.0391       469.9973        261.00
-     22827.2266       478.4655        361.00
-     24644.7285       380.1822        371.00
-     26439.7910       381.5274        381.00
-     28257.2930       378.6612        391.00
-     31196.7109       343.9868        401.00
-     34034.4062       328.3996        411.00
-     37265.5195       310.7079        421.00
-     41214.6602       322.9504        431.00
-     44827.2266       283.0966        441.00
-     49830.9648       272.6884        451.00
-     52905.0117       256.8832        461.00
-     58204.9375       259.8669        471.00
-     62916.9805       260.7638        481.00
-     70186.9844       262.2215        491.00
-     74204.9375       262.0431        501.00
-     82103.2188       268.1820        511.00
-     91958.8672       268.2322        521.00
-    102712.0391       262.4210         91.00
-! 
-! Excluded regions (LowT  HighT) for Pattern#  1
-        0.00     9000.00
-   104000.00   300000.00
-! 
-!2Theta/TOF/E(Kev)   Background  for Pattern#  2
-      9089.7529       487.8558          0.00
-     10671.6523       565.7466          0.00
-     12287.2100       493.6100          0.00
-     14037.3975       558.6192          0.00
-     15451.0088       529.2166          0.00
-     16763.6504       445.4533          0.00
-     18076.2910       459.5564          0.00
-     19456.2461       412.5210          0.00
-     20465.9688       510.9012          0.00
-     21879.5801       395.9663          0.00
-     23798.0566       391.3568          0.00
-     25447.2715       384.8244          0.00
-     28072.5508       349.0691          0.00
-     30058.3418       331.6117          0.00
-     32582.6504       308.5730          0.00
-     34804.0391       355.2209          0.00
-     37160.0625       317.5392          0.00
-     40323.8594       289.8466          0.00
-     46894.5391       259.8395          0.00
-     50630.5156       255.6585          0.00
-     54602.0938       245.5955          0.00
-     58439.0430       263.8085          0.00
-     66519.8203       250.2509          0.00
-     75001.5000       257.5644          0.00
-     83649.2188       257.4074          0.00
-     92770.3828       254.5244          0.00
-    101524.3047       259.7324          0.00
-    107313.3906       239.1429          0.00
-! 
-! Excluded regions (LowT  HighT) for Pattern#  2
-        0.00     9000.00
-   108000.00   300000.00
-! 
-!2Theta/TOF/E(Kev)   Background  for Pattern#  3
-      9089.7529       440.9055          0.00
-     11580.4033       512.3026          0.00
-     13667.1650       416.8599          0.00
-     15551.9824       474.3704          0.00
-     17739.7168       407.4471          0.00
-     20364.9961       377.5256          0.00
-     22653.7031       346.0829          0.00
-     24740.4648       331.7580          0.00
-     27130.1406       335.9806          0.00
-     29957.3672       353.3779          0.00
-     32616.3047       298.4350          0.00
-     36150.3359       283.4345          0.00
-     40963.3516       253.7007          0.00
-     47265.5195       254.3173          0.00
-     53391.1758       235.3135          0.00
-     62005.2383       240.5865          0.00
-     71866.8672       239.3391          0.00
-     82913.9922       242.9300          0.00
-     90385.9375       241.0844          0.00
-     99649.2188       235.3400          0.00
-    107356.7656       239.0635          0.00
-    115337.3203       246.8556          0.00
-! 
-! Excluded regions (LowT  HighT) for Pattern#  3
-        0.00     9000.00
-   116000.00   300000.00
-! 
-!2Theta/TOF/E(Kev)   Background  for Pattern#  4
-      7246.0732       249.7375          0.00
-      9265.5195       270.6130          0.00
-     11097.9795       377.8958          0.00
-     13080.0303       385.2249          0.00
-     15473.4473       338.0749          0.00
-     16931.9355       332.4153          0.00
-     18614.8086       367.1919          0.00
-     20596.8594       392.2778          0.00
-     22504.1133       342.6676          0.00
-     26169.0332       281.6415          0.00
-     28113.6875       265.4700          0.00
-     30320.1172       259.4010          0.00
-     34770.3828       253.6398          0.00
-     40155.5703       237.2978          0.00
-     48341.8086       227.8360          0.00
-     58540.0156       221.0457          0.00
-     69139.8672       220.3215          0.00
-     80953.6328       226.1666          0.00
-     94214.6562       218.7350          0.00
-    107677.6328       220.2411          0.00
-    120889.3047       217.6368          0.00
-    132602.0938       173.0294          0.00
-! 
-! Excluded regions (LowT  HighT) for Pattern#  4
-        0.00     7000.00
-   134000.00   300000.00
-! 
-!2Theta/TOF/E(Kev)   Background  for Pattern#  5
-      6056.0952       284.5072          0.00
-      7099.4761       116.8312          0.00
-      8008.2271       144.6455          0.00
-      8816.0059       123.3459          0.00
-      9724.7568       291.1345          0.00
-     10532.5352       202.4357          0.00
-     11710.5459       170.3769          0.00
-     12619.2969       234.8494          0.00
-     13393.4180       215.9752          0.00
-     14470.4561       211.1153          0.00
-     15614.8096       255.0736          0.00
-     17264.0254       230.8970          0.00
-     19283.4707       220.6135          0.00
-     20192.2207       232.5224          0.00
-     22346.2969       236.9142          0.00
-     24433.0586       234.7767          0.00
-     27563.2012       238.6224          0.00
-     30356.7695       226.4543          0.00
-     33049.3672       221.6173          0.00
-     35203.4414       227.9170          0.00
-     38826.4766       224.6787          0.00
-     44447.2695       216.2434          0.00
-     50068.0625       216.9036          0.00
-     55587.8828       213.4625          0.00
-     63586.3867       216.2199          0.00
-     74289.4531       212.9891          0.00
-     86385.1953       212.3878          0.00
-     98097.9844       212.5949          0.00
-    114791.3281       211.3093          0.00
-    128630.5156       210.9814          0.00
-    147091.2500       222.9456          0.00
-    167026.9219       210.3100          0.00
-    187448.0156       222.3267          0.00
-    208808.5312       254.2876          0.00
-    231077.7812       123.6264          0.00
-    252332.8281       161.2677          0.00
-! 
-! Excluded regions (LowT  HighT) for Pattern#  5
-        0.00     7000.00
-   240000.00   300000.00
-! 
-!
-      52    !Number of refined parameters
-!
-!    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  1
-   -13.88168   81.00 20773.12305   71.00    -1.08308    0.00     0.00000    0.00   152.827
-!
-!    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  2
-   -15.05269    0.00 18660.06836    0.00    -0.47488    0.00     0.00000    0.00   121.660
-!
-!    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  3
-   -12.72628    0.00 15105.37695    0.00     1.00785    0.00     0.00000    0.00    90.000
-!
-!    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  4
-    13.99431    0.00 10389.88477    0.00     1.85233    0.00     0.00000    0.00    58.330
-!
-!    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  5
-    13.51434    0.00  4986.07373    0.00     1.85733    0.00     0.00000    0.00    27.081
-!-------------------------------------------------------------------------------
-!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   4.0332
-!-------------------------------------------------------------------------------
-Y5Al3O12 Nuclear
-!
-!Nat Dis Ang Jbt Isy Str Furth        ATZ     Nvk More
-   6   0   0   0   0   0   0      17501.7695   0   0
-!Contributions (0/1) of this phase to the  5 patterns
- 1 1 1 1 1
-!Irf Npr Jtyp  Nsp_Ref Ph_Shift for Pattern#  1
-   0   9   -1      0      0
-! Pr1    Pr2    Pr3   Brind.   Rmua   Rmub   Rmuc     for Pattern#  1
-  0.000  0.000  1.000  1.000  0.000  0.000  0.000
-!Irf Npr Jtyp  Nsp_Ref Ph_Shift for Pattern#  2
-   0   9   -1      0      0
-! Pr1    Pr2    Pr3   Brind.   Rmua   Rmub   Rmuc     for Pattern#  2
-  0.000  0.000  1.000  1.000  0.000  0.000  0.000
-!Irf Npr Jtyp  Nsp_Ref Ph_Shift for Pattern#  3
-   0   9   -1      0      0
-! Pr1    Pr2    Pr3   Brind.   Rmua   Rmub   Rmuc     for Pattern#  3
-  0.000  0.000  1.000  1.000  0.000  0.000  0.000
-!Irf Npr Jtyp  Nsp_Ref Ph_Shift for Pattern#  4
-   0   9   -1      0      0
-! Pr1    Pr2    Pr3   Brind.   Rmua   Rmub   Rmuc     for Pattern#  4
-  0.000  0.000  1.000  1.000  0.000  0.000  0.000
-!Irf Npr Jtyp  Nsp_Ref Ph_Shift for Pattern#  5
-   0   9   -1      0      0
-! Pr1    Pr2    Pr3   Brind.   Rmua   Rmub   Rmuc     for Pattern#  5
-  0.000  0.000  1.000  1.000  0.000  0.000  0.000
-!
-!
-I 21 3                   <--Space group symbol
-!Atom   Typ       X        Y        Z     Biso       Occ     In Fin N_t Spc /Codes
-Ca1    CA      0.46610  0.00000  0.25000  0.88770   1.50000   0   0   0    0  
-                101.00     0.00     0.00   121.00      0.00
-Al1    AL      0.25163  0.25163  0.25163  0.65283   1.00000   0   0   0    0  
-                111.00   111.00   111.00   131.00      0.00
-Na1    NA      0.08472  0.08472  0.08472  1.89281   1.00000   0   0   0    0  
-                141.00   141.00   141.00   151.00      0.00
-F1     F       0.13748  0.30533  0.11947  0.89562   3.00000   0   0   0    0  
-                171.00   181.00   191.00   161.00      0.00
-F2     F       0.36263  0.36333  0.18669  1.27227   3.00000   0   0   0    0  
-                201.00   211.00   221.00   241.00      0.00
-F3     F       0.46120  0.46120  0.46120  0.78071   1.00000   0   0   0    0  
-                231.00   231.00   231.00   251.00      0.00
-!-------> Profile Parameters for Pattern #   1  ----> Phase #   1
-!  Scale          Extinc       Bov      Str1      Str2      Str3    Strain-Mode
-  4.020937        0.0000    0.0000    0.0000    0.0000    0.0000         0
-      21.00000      0.00      0.00      0.00      0.00      0.00
-!      Sigma-2       Sigma-1       Sigma-0       Sigma-Q   Iso-GStrain     Iso-GSize     Ani-LSize   Size-Model
-       15.6960        0.0000        0.0000        0.0000        0.0000        0.0000        0.0000       0
-         61.00          0.00          0.00          0.00          0.00          0.00          0.00
-!      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
-        0.0000        0.0000        0.0000        0.0000        0.0000
-          0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
-  10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
-    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
-!      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
-    1.000000    0.000000   -0.009276    0.006705    0.109623    0.009708    0.000000    0.000000
-        0.00        0.00       51.00       41.00       31.00       11.00        0.00        0.00
-!Absorption correction parameters
-   0.00000    0.00   0.00000    0.00            ABS: ABSCOR1  ABSCOR2
-!-------> Profile Parameters for Pattern #   2  ----> Phase #   1
-!  Scale          Extinc       Bov      Str1      Str2      Str3    Strain-Mode
-  4.212449        0.0000    0.0000    0.0000    0.0000    0.0000         0
-       0.00000      0.00      0.00      0.00      0.00      0.00
-!      Sigma-2       Sigma-1       Sigma-0       Sigma-Q   Iso-GStrain     Iso-GSize     Ani-LSize   Size-Model
-       18.1962       29.3569        0.0000        0.0000        0.0000        0.0000        0.0000       0
-          0.00          0.00          0.00          0.00          0.00          0.00          0.00
-!      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
-        0.0000        0.0000        0.0000        0.0000        0.0000
-          0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
-  10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
-    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
-!      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
-    1.000000    0.000000   -0.011599    0.006428    0.122765    0.014680    0.000000    0.000000
-        0.00        0.00        0.00        0.00        0.00        0.00        0.00        0.00
-!Absorption correction parameters
-   0.00430    0.00   0.00000    0.00            ABS: ABSCOR1  ABSCOR2
-!-------> Profile Parameters for Pattern #   3  ----> Phase #   1
-!  Scale          Extinc       Bov      Str1      Str2      Str3    Strain-Mode
-  4.149513        0.0000    0.0000    0.0000    0.0000    0.0000         0
-       0.00000      0.00      0.00      0.00      0.00      0.00
-!      Sigma-2       Sigma-1       Sigma-0       Sigma-Q   Iso-GStrain     Iso-GSize     Ani-LSize   Size-Model
-       16.8599       62.2443        0.0000        0.0000        0.0000        0.0000        0.0000       0
-          0.00          0.00          0.00          0.00          0.00          0.00          0.00
-!      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
-        0.0000        0.0002        0.0000        0.0000        0.0000
-          0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
-  10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
-    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
-!      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
-    1.000000    0.000000   -0.012131    0.005991    0.122899    0.027663    0.000000    0.000000
-        0.00        0.00        0.00        0.00        0.00        0.00        0.00        0.00
-!Absorption correction parameters
-   0.00109    0.00   0.00000    0.00            ABS: ABSCOR1  ABSCOR2
-!-------> Profile Parameters for Pattern #   4  ----> Phase #   1
-!  Scale          Extinc       Bov      Str1      Str2      Str3    Strain-Mode
-  4.017175        0.0000    0.0000    0.0000    0.0000    0.0000         0
-       0.00000      0.00      0.00      0.00      0.00      0.00
-!      Sigma-2       Sigma-1       Sigma-0       Sigma-Q   Iso-GStrain     Iso-GSize     Ani-LSize   Size-Model
-       23.0513       69.8210        0.0000        0.0000        0.0000        0.0000        0.0000       0
-          0.00          0.00          0.00          0.00          0.00          0.00          0.00
-!      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
-        0.0000        1.6846        0.0000        0.0000        0.0000
-          0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
-  10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
-    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
-!      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
-    1.000000    0.000000    0.040557    0.005322    0.023866    0.083299    0.000000    0.000000
-        0.00        0.00        0.00        0.00        0.00        0.00        0.00        0.00
-!Absorption correction parameters
-  -0.00400    0.00   0.00000    0.00            ABS: ABSCOR1  ABSCOR2
-!-------> Profile Parameters for Pattern #   5  ----> Phase #   1
-!  Scale          Extinc       Bov      Str1      Str2      Str3    Strain-Mode
-  4.116436        0.0000    0.0000    0.0000    0.0000    0.0000         0
-       0.00000      0.00      0.00      0.00      0.00      0.00
-!      Sigma-2       Sigma-1       Sigma-0       Sigma-Q   Iso-GStrain     Iso-GSize     Ani-LSize   Size-Model
-       15.4063        0.0000        0.0000        0.0000        0.0000        0.0000        0.0000       0
-          0.00          0.00          0.00          0.00          0.00          0.00          0.00
-!      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
-        0.0000        8.2904        0.0000        0.0000        0.0000
-          0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      #Cell Info
-  10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
-    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
-!      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
-    1.000000    0.000000    0.014439    0.004707    0.055070    0.137368    0.000000    0.000000
-        0.00        0.00        0.00        0.00        0.00        0.00        0.00        0.00
-!Absorption correction parameters
-   0.00000    0.00   0.00000    0.00            ABS: ABSCOR1  ABSCOR2
-!  2Th1/TOF1    2Th2/TOF2  Pattern to plot
-    9000.000  103417.672       1
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.out b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.out
index 03d0e5496..a3dc2ec38 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.out
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.out
@@ -1,21 +1,17 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 09/06/2026  Time: 12:42:04.250                              
+    Date: 09/06/2026  Time: 15:11:13.659                              
 
  => PCR file code: tmpl_one_bank
  => DAT file code: 55025-5_6raw.gss     -> Relative contribution: 1.0000                                                            
- => DAT file code: 55025-4_7raw.gss     -> Relative contribution: 1.0000                                                            
- => DAT file code: 55025-3_8raw.gss     -> Relative contribution: 1.0000                                                            
- => DAT file code: 55025-2_9raw.gss     -> Relative contribution: 1.0000                                                            
- => DAT file code: 55025-1_10raw.gss    -> Relative contribution: 1.0000                                                            
 
  ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
 
@@ -36,100 +32,8 @@
     Ikeda-Carpenter function convoluted with pseudo-Voigt:
     Omega(DT) =  (1+delta(t)*R) <*> TCH-Pseudo-Voigt  
 
- ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  2
-
- => Global Refinement of neutron powder data                                                                                        
- => Neutron Time-Of-Flight data                                                                                                     
- => Abcisa variable is T.O.F. in microsecs
- => Title:YAG highres
-
- => Number of phases:    1
- => Number of excluded regions:    2
- => Number of scattering factors supplied:    0
- => March-Dollase model for preferred orientation
- => Conventional weights: w=1.0/Variance(yobs)
- => Asymmetry correction as in J.Appl.Cryst. 26,128(1993)
- => Background linearly interpolated between the   28 points given
- => The   13th default profile function was selected
- => T.O.F Profile Function #3 
-    Ikeda-Carpenter function convoluted with pseudo-Voigt:
-    Omega(DT) =  (1+delta(t)*R) <*> TCH-Pseudo-Voigt  
-
- ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  3
-
- => Global Refinement of neutron powder data                                                                                        
- => Neutron Time-Of-Flight data                                                                                                     
- => Abcisa variable is T.O.F. in microsecs
- => Title:YAG highres
-
- => Number of phases:    1
- => Number of excluded regions:    2
- => Number of scattering factors supplied:    0
- => March-Dollase model for preferred orientation
- => Conventional weights: w=1.0/Variance(yobs)
- => Asymmetry correction as in J.Appl.Cryst. 26,128(1993)
- => Background linearly interpolated between the   22 points given
- => The   13th default profile function was selected
- => T.O.F Profile Function #3 
-    Ikeda-Carpenter function convoluted with pseudo-Voigt:
-    Omega(DT) =  (1+delta(t)*R) <*> TCH-Pseudo-Voigt  
-
- ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  4
-
- => Global Refinement of neutron powder data                                                                                        
- => Neutron Time-Of-Flight data                                                                                                     
- => Abcisa variable is T.O.F. in microsecs
- => Title:YAG highres
-
- => Number of phases:    1
- => Number of excluded regions:    2
- => Number of scattering factors supplied:    0
- => March-Dollase model for preferred orientation
- => Conventional weights: w=1.0/Variance(yobs)
- => Asymmetry correction as in J.Appl.Cryst. 26,128(1993)
- => Background linearly interpolated between the   22 points given
- => The   13th default profile function was selected
- => T.O.F Profile Function #3 
-    Ikeda-Carpenter function convoluted with pseudo-Voigt:
-    Omega(DT) =  (1+delta(t)*R) <*> TCH-Pseudo-Voigt  
-
- ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  5
-
- => Global Refinement of neutron powder data                                                                                        
- => Neutron Time-Of-Flight data                                                                                                     
- => Abcisa variable is T.O.F. in microsecs
- => Title:YAG highres
-
- => Number of phases:    1
- => Number of excluded regions:    2
- => Number of scattering factors supplied:    0
- => March-Dollase model for preferred orientation
- => Conventional weights: w=1.0/Variance(yobs)
- => Asymmetry correction as in J.Appl.Cryst. 26,128(1993)
- => Background linearly interpolated between the   36 points given
- => The   13th default profile function was selected
- => T.O.F Profile Function #3 
-    Ikeda-Carpenter function convoluted with pseudo-Voigt:
-    Omega(DT) =  (1+delta(t)*R) <*> TCH-Pseudo-Voigt  
-
  ==> INPUT/OUTPUT OPTIONS:
 
- => Output Obs and Calc intensities on last cycle
- => Generate bacground file *.bac
- => Generate file *.PRF for plot
- => Output Integrated Intensities
- => Output Obs and Calc intensities on last cycle
- => Generate bacground file *.bac
- => Generate file *.PRF for plot
- => Output Integrated Intensities
- => Output Obs and Calc intensities on last cycle
- => Generate bacground file *.bac
- => Generate file *.PRF for plot
- => Output Integrated Intensities
- => Output Obs and Calc intensities on last cycle
- => Generate bacground file *.bac
- => Generate file *.PRF for plot
- => Output Integrated Intensities
  => Output Obs and Calc intensities on last cycle
  => Generate bacground file *.bac
  => Generate file *.PRF for plot
@@ -138,23 +42,11 @@
  => Plot pattern at each cycle
  => Absorption correction type: 2
  => Base of peaks: 2.0*HW*   40.00
- => Plot pattern at each cycle
- => Absorption correction type: 2
- => Base of peaks: 2.0*HW*   40.00
- => Plot pattern at each cycle
- => Absorption correction type: 2
- => Base of peaks: 2.0*HW*   40.00
- => Plot pattern at each cycle
- => Absorption correction type: 2
- => Base of peaks: 2.0*HW*   40.00
- => Plot pattern at each cycle
- => Absorption correction type: 2
- => Base of peaks: 2.0*HW*   40.00
 
  => Number of cycles:   20
  => Relaxation factors ==>    for coordinates:  0.30
  => for anisotropic temperature factors:  0.30
- => for halfwidth/strain/size/further parameters:  0.30
+ => for halfwidth/strain/size parameters:  0.30
  => for lattice constants and propagation vectors:  0.30
  => EPS-value for convergence:    0.3
  => Background ==> 
@@ -196,158 +88,6 @@
       0.0000   9000.0000
  104000.0000 300000.0000
 
- => Background ==> 
-    Position   Intensity
-     9089.75      487.86        0.00
-    10671.65      565.75        0.00
-    12287.21      493.61        0.00
-    14037.40      558.62        0.00
-    15451.01      529.22        0.00
-    16763.65      445.45        0.00
-    18076.29      459.56        0.00
-    19456.25      412.52        0.00
-    20465.97      510.90        0.00
-    21879.58      395.97        0.00
-    23798.06      391.36        0.00
-    25447.27      384.82        0.00
-    28072.55      349.07        0.00
-    30058.34      331.61        0.00
-    32582.65      308.57        0.00
-    34804.04      355.22        0.00
-    37160.06      317.54        0.00
-    40323.86      289.85        0.00
-    46894.54      259.84        0.00
-    50630.52      255.66        0.00
-
-    54602.09      245.60        0.00
-    58439.04      263.81        0.00
-    66519.82      250.25        0.00
-    75001.50      257.56        0.00
-    83649.22      257.41        0.00
-    92770.38      254.52        0.00
-   101524.30      259.73        0.00
-   107313.39      239.14        0.00
-
- 
-
- => Excluded regions for Pattern#  2
-    From     to
-      0.0000   9000.0000
- 108000.0000 300000.0000
-
- => Background ==> 
-    Position   Intensity
-     9089.75      440.91        0.00
-    11580.40      512.30        0.00
-    13667.17      416.86        0.00
-    15551.98      474.37        0.00
-    17739.72      407.45        0.00
-    20365.00      377.53        0.00
-    22653.70      346.08        0.00
-    24740.46      331.76        0.00
-    27130.14      335.98        0.00
-    29957.37      353.38        0.00
-    32616.30      298.43        0.00
-    36150.34      283.43        0.00
-    40963.35      253.70        0.00
-    47265.52      254.32        0.00
-    53391.18      235.31        0.00
-    62005.24      240.59        0.00
-    71866.87      239.34        0.00
-    82913.99      242.93        0.00
-    90385.94      241.08        0.00
-    99649.22      235.34        0.00
-
-   107356.77      239.06        0.00
-   115337.32      246.86        0.00
-
- 
-
- => Excluded regions for Pattern#  3
-    From     to
-      0.0000   9000.0000
- 116000.0000 300000.0000
-
- => Background ==> 
-    Position   Intensity
-     7246.07      249.74        0.00
-     9265.52      270.61        0.00
-    11097.98      377.90        0.00
-    13080.03      385.22        0.00
-    15473.45      338.07        0.00
-    16931.94      332.42        0.00
-    18614.81      367.19        0.00
-    20596.86      392.28        0.00
-    22504.11      342.67        0.00
-    26169.03      281.64        0.00
-    28113.69      265.47        0.00
-    30320.12      259.40        0.00
-    34770.38      253.64        0.00
-    40155.57      237.30        0.00
-    48341.81      227.84        0.00
-    58540.02      221.05        0.00
-    69139.87      220.32        0.00
-    80953.63      226.17        0.00
-    94214.66      218.74        0.00
-   107677.63      220.24        0.00
-
-   120889.30      217.64        0.00
-   132602.09      173.03        0.00
-
- 
-
- => Excluded regions for Pattern#  4
-    From     to
-      0.0000   7000.0000
- 134000.0000 300000.0000
-
- => Background ==> 
-    Position   Intensity
-     6056.10      284.51        0.00
-     7099.48      116.83        0.00
-     8008.23      144.65        0.00
-     8816.01      123.35        0.00
-     9724.76      291.13        0.00
-    10532.54      202.44        0.00
-    11710.55      170.38        0.00
-    12619.30      234.85        0.00
-    13393.42      215.98        0.00
-    14470.46      211.12        0.00
-    15614.81      255.07        0.00
-    17264.03      230.90        0.00
-    19283.47      220.61        0.00
-    20192.22      232.52        0.00
-    22346.30      236.91        0.00
-    24433.06      234.78        0.00
-    27563.20      238.62        0.00
-    30356.77      226.45        0.00
-    33049.37      221.62        0.00
-    35203.44      227.92        0.00
-
-    38826.48      224.68        0.00
-    44447.27      216.24        0.00
-    50068.06      216.90        0.00
-    55587.88      213.46        0.00
-    63586.39      216.22        0.00
-    74289.45      212.99        0.00
-    86385.20      212.39        0.00
-    98097.98      212.59        0.00
-   114791.33      211.31        0.00
-   128630.52      210.98        0.00
-   147091.25      222.95        0.00
-   167026.92      210.31        0.00
-   187448.02      222.33        0.00
-   208808.53      254.29        0.00
-   231077.78      123.63        0.00
-   252332.83      161.27        0.00
-
- 
-
- => Excluded regions for Pattern#  5
-    From     to
-      0.0000   7000.0000
- 240000.0000 300000.0000
-
  => Number of Least-Squares parameters varied:     0
 
  =>--------------------------->
@@ -381,134 +121,6 @@
  ==> T.O.F. range, and number of points:
     TOFmin:    7267.568359  TOFmax:  103417.671875
     No. of points:   4122
-
- =>--------------------------->
- =>------->  PATTERN number:  2
- =>--------------------------->
- => Global parameters and codes ==>
- => Zero-point:   -15.0527    0.0000
- => D-spacing to T.O.F. coefficient dtt1 and code:  18660.068     0.000
- => D-spacing to T.O.F. coefficient dtt2 and code:     -0.475     0.000
- => D-spacing to T.O.F. coefficient dtt_1OverD and code:      0.000     0.000
- => T.O.F. 2theta average detector angle      :    121.660
-
- => Reading Intensity data  =>>
-
- -> Format ISIS multi-bank 
- -> Title: NaCaAlF HRSF 37K<CH4_T<42K                                                                                                          
- -> COMMENT: # 1 Histograms                                                                                                                      
- -> COMMENT: # File generated by Mantid:                                                                                                         
- -> COMMENT: # Instrument: WISH                                                                                                                  
- -> COMMENT: # From workspace named : w55025-4_7foc                                                                                              
- -> COMMENT: # with Y multiplied by the bin widths.                                                                                              
- -> COMMENT: # Primary flight path 40m                                                                                                           
- -> COMMENT: # Total flight path 42.2223m, tth 121.683deg, DIFC 18640.7                                                                          
- -> COMMENT: # Data for spectrum :0                                                                                                              
- => Input Data for RALF binning type are internally modified
-    Intensities and Standard deviations are trasformed as:
-          Ycorr(i)=fac_y*Yread(i)/(TOF(i+1)-TOF(i))
-          Scorr(i)=fac_y*Sread(i)/(TOF(i+1)-TOF(i))  (with fac_y=1000 by default)
-    Sum of variances:   0.298475E+10
-    Maximum R-expected:       2.2481
- ==> T.O.F. range, and number of points:
-    TOFmin:    7463.463379  TOFmax:  109083.484375
-    No. of points:   4044
-
- =>--------------------------->
- =>------->  PATTERN number:  3
- =>--------------------------->
- => Global parameters and codes ==>
- => Zero-point:   -12.7263    0.0000
- => D-spacing to T.O.F. coefficient dtt1 and code:  15105.377     0.000
- => D-spacing to T.O.F. coefficient dtt2 and code:      1.008     0.000
- => D-spacing to T.O.F. coefficient dtt_1OverD and code:      0.000     0.000
- => T.O.F. 2theta average detector angle      :     90.000
-
- => Reading Intensity data  =>>
-
- -> Format ISIS multi-bank 
- -> Title: NaCaAlF HRSF 37K<CH4_T<42K                                                                                                          
- -> COMMENT: # 1 Histograms                                                                                                                      
- -> COMMENT: # File generated by Mantid:                                                                                                         
- -> COMMENT: # Instrument: WISH                                                                                                                  
- -> COMMENT: # From workspace named : w55025-3_8foc                                                                                              
- -> COMMENT: # with Y multiplied by the bin widths.                                                                                              
- -> COMMENT: # Primary flight path 40m                                                                                                           
- -> COMMENT: # Total flight path 42.2222m, tth 89.9996deg, DIFC 15093.7                                                                          
- -> COMMENT: # Data for spectrum :0                                                                                                              
- => Input Data for RALF binning type are internally modified
-    Intensities and Standard deviations are trasformed as:
-          Ycorr(i)=fac_y*Yread(i)/(TOF(i+1)-TOF(i))
-          Scorr(i)=fac_y*Sread(i)/(TOF(i+1)-TOF(i))  (with fac_y=1000 by default)
-    Sum of variances:   0.537484E+10
-    Maximum R-expected:       2.3620
- ==> T.O.F. range, and number of points:
-    TOFmin:    7549.536621  TOFmax:  117086.195312
-    No. of points:   3972
-
- =>--------------------------->
- =>------->  PATTERN number:  4
- =>--------------------------->
- => Global parameters and codes ==>
- => Zero-point:    13.9943    0.0000
- => D-spacing to T.O.F. coefficient dtt1 and code:  10389.885     0.000
- => D-spacing to T.O.F. coefficient dtt2 and code:      1.852     0.000
- => D-spacing to T.O.F. coefficient dtt_1OverD and code:      0.000     0.000
- => T.O.F. 2theta average detector angle      :     58.330
-
- => Reading Intensity data  =>>
-
- -> Format ISIS multi-bank 
- -> Title: NaCaAlF HRSF 37K<CH4_T<42K                                                                                                          
- -> COMMENT: # 1 Histograms                                                                                                                      
- -> COMMENT: # File generated by Mantid:                                                                                                         
- -> COMMENT: # Instrument: WISH                                                                                                                  
- -> COMMENT: # From workspace named : w55025-2_9foc                                                                                              
- -> COMMENT: # with Y multiplied by the bin widths.                                                                                              
- -> COMMENT: # Primary flight path 40m                                                                                                           
- -> COMMENT: # Total flight path 42.2222m, tth 58.308deg, DIFC 10398.8                                                                           
- -> COMMENT: # Data for spectrum :0                                                                                                              
- => Input Data for RALF binning type are internally modified
-    Intensities and Standard deviations are trasformed as:
-          Ycorr(i)=fac_y*Yread(i)/(TOF(i+1)-TOF(i))
-          Scorr(i)=fac_y*Sread(i)/(TOF(i+1)-TOF(i))  (with fac_y=1000 by default)
-    Sum of variances:   0.148490E+11
-    Maximum R-expected:       3.0408
- ==> T.O.F. range, and number of points:
-    TOFmin:    5202.200195  TOFmax:  136018.015625
-    No. of points:   4398
-
- =>--------------------------->
- =>------->  PATTERN number:  5
- =>--------------------------->
- => Global parameters and codes ==>
- => Zero-point:    13.5143    0.0000
- => D-spacing to T.O.F. coefficient dtt1 and code:   4986.074     0.000
- => D-spacing to T.O.F. coefficient dtt2 and code:      1.857     0.000
- => D-spacing to T.O.F. coefficient dtt_1OverD and code:      0.000     0.000
- => T.O.F. 2theta average detector angle      :     27.081
-
- => Reading Intensity data  =>>
-
- -> Format ISIS multi-bank 
- -> Title: NaCaAlF HRSF 37K<CH4_T<42K                                                                                                          
- -> COMMENT: # 1 Histograms                                                                                                                      
- -> COMMENT: # File generated by Mantid:                                                                                                         
- -> COMMENT: # Instrument: WISH                                                                                                                  
- -> COMMENT: # From workspace named : w55025-1_10foc                                                                                             
- -> COMMENT: # with Y multiplied by the bin widths.                                                                                              
- -> COMMENT: # Primary flight path 40m                                                                                                           
- -> COMMENT: # Total flight path 42.2223m, tth 27.0805deg, DIFC 4997.65                                                                          
- -> COMMENT: # Data for spectrum :0                                                                                                              
- => Input Data for RALF binning type are internally modified
-    Intensities and Standard deviations are trasformed as:
-          Ycorr(i)=fac_y*Yread(i)/(TOF(i+1)-TOF(i))
-          Scorr(i)=fac_y*Sread(i)/(TOF(i+1)-TOF(i))  (with fac_y=1000 by default)
-    Sum of variances:   0.577126E+12
-    Maximum R-expected:       4.9734
- ==> T.O.F. range, and number of points:
-    TOFmin:    4002.317139  TOFmax:  265781.843750
-    No. of points:   4462
  --------------------------------------------------------------------------------
  => Phase  No. 1
       Y5Al3O12 Nuclear                                                      
@@ -517,22 +129,6 @@
  => Crystal Structure Refinement
  => The    9th profile function was selected for phase no.  1
  => Preferred orientation vector:   0.0000  0.0000  1.0000
- =>-------> Pattern#  2
- => Crystal Structure Refinement
- => The    9th profile function was selected for phase no.  1
- => Preferred orientation vector:   0.0000  0.0000  1.0000
- =>-------> Pattern#  3
- => Crystal Structure Refinement
- => The    9th profile function was selected for phase no.  1
- => Preferred orientation vector:   0.0000  0.0000  1.0000
- =>-------> Pattern#  4
- => Crystal Structure Refinement
- => The    9th profile function was selected for phase no.  1
- => Preferred orientation vector:   0.0000  0.0000  1.0000
- =>-------> Pattern#  5
- => Crystal Structure Refinement
- => The    9th profile function was selected for phase no.  1
- => Preferred orientation vector:   0.0000  0.0000  1.0000
 
  =>-------> Data for PHASE: 1
  => Number of atoms:    6
@@ -635,10 +231,10 @@
  F3     F                  0.46120   0.46120   0.46120   0.78029   1.00000           0    0    0    8
                  Codes:    0.00000   0.00000   0.00000   0.00000   0.00000
 
- => It is assumed that THE FIRST GIVEN SITE plus all the other atoms 
-    occupying THE SAME POSITION have a total full occupation (no vacancies!)
+ => IT IS ASSUMED THAT THE FIRST GIVEN SITE IS FULLY OCCUPIED 
+    OR THE FIRST AND SECOND ATOMS ARE IN THE SAME SITE WITH TOTAL FULL OCCUPATION
   (if this is not the case, change the order of atoms to obtain correct values for the content of the unit cell)
-    The given occupation factors have been obtained mutiplying m/M by   1.5000
+    The given occupation factors have been obtained mutiplying m/M by   3.0000
       -> Atom: CA  ,  Chemical element: CA  Atomic Mass:    40.0800
       -> Atom: AL  ,  Chemical element: AL  Atomic Mass:    26.9815
       -> Atom: NA  ,  Chemical element: NA  Atomic Mass:    22.9898
@@ -723,142 +319,6 @@
     0.000000    0.097559   -0.000000            0.0000     10.2503      0.0000
     0.000000    0.000000    0.097559            0.0000      0.0000     10.2503
 
- =>-------> PROFILE PARAMETERS FOR PATTERN:  2
-
- => Overall scale factor:    4.21245    
- => T.O.F. Extinction parameter:   0.0000
- => Overall temperature factor:      0.00000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:     18.19620    29.35690     0.00000     0.00000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain):       0.0000
- => T.O.F. Iso-Gaussian and Aniso-Lor (platelets/needles) Size parameters (G-Size,Ani-LorSiz)  :      0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000     0.00000     0.00000
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz):      0.00000     0.00000
- => Direct cell parameters:   10.2503  10.2503  10.2503  90.0000  90.0000  90.0000
- => Preferred orientation parameters:   1.0000  0.0000
- => T.O.F. Peak shape parameter alpha0,beta0,alpha1,beta1/kappa,alpha-q,beta-Q:     -0.01160     0.00643     0.12276     0.01468     0.00000     0.00000
- => Model-dependent Strain parameters s2,s1,s0:      0.00000     0.00000     0.00000
-
-
- ==> CODEWORDS FOR PROFILE PARAMETERS of PATTERN#  2
-
- => Codeword -Overall scale factor:   0.00000    
- => Codeword  - T.O.F. Extinction parameter:   0.0000
- => Codeword  - Overall temperature factor:      0.00000
- => Codewords - T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:      0.00000     0.00000     0.00000     0.00000
- => Codewords - T.O.F. Isotropic Gaussian strain parameter (G-strain):       0.0000
- => Codewords - T.O.F. Iso-Gaussian and Aniso-Lor (platelets/needles) Size parameters (G-Size,Ani-LorSize)  :      0.00000     0.00000
- => Codewords - T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000     0.00000     0.00000
- => Codewords - T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz):      0.00000     0.00000
- => Codewords - Direct cell parameters:    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
- => Codewords - Preferred orientation parameters:   0.0000  0.0000
- => Codewords - T.O.F. Peak shape parameter alpha0,beta0,alpha1,beta1/kappa,alpha-q,beta-Q:      0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-=> Codewords - Model-dependent Strain parameters s2,s1,s0:      0.00000     0.00000     0.00000
-
-
- => Cell constraints according to Laue symmetry: m-3  
-
- =>-------> PROFILE PARAMETERS FOR PATTERN:  3
-
- => Overall scale factor:    4.14951    
- => T.O.F. Extinction parameter:   0.0000
- => Overall temperature factor:      0.00000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:     16.85990    62.24430     0.00000     0.00000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain):       0.0000
- => T.O.F. Iso-Gaussian and Aniso-Lor (platelets/needles) Size parameters (G-Size,Ani-LorSiz)  :      0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000     0.00020     0.00000
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz):      0.00000     0.00000
- => Direct cell parameters:   10.2503  10.2503  10.2503  90.0000  90.0000  90.0000
- => Preferred orientation parameters:   1.0000  0.0000
- => T.O.F. Peak shape parameter alpha0,beta0,alpha1,beta1/kappa,alpha-q,beta-Q:     -0.01213     0.00599     0.12290     0.02766     0.00000     0.00000
- => Model-dependent Strain parameters s2,s1,s0:      0.00000     0.00000     0.00000
-
-
- ==> CODEWORDS FOR PROFILE PARAMETERS of PATTERN#  3
-
- => Codeword -Overall scale factor:   0.00000    
- => Codeword  - T.O.F. Extinction parameter:   0.0000
- => Codeword  - Overall temperature factor:      0.00000
- => Codewords - T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:      0.00000     0.00000     0.00000     0.00000
- => Codewords - T.O.F. Isotropic Gaussian strain parameter (G-strain):       0.0000
- => Codewords - T.O.F. Iso-Gaussian and Aniso-Lor (platelets/needles) Size parameters (G-Size,Ani-LorSize)  :      0.00000     0.00000
- => Codewords - T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000     0.00000     0.00000
- => Codewords - T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz):      0.00000     0.00000
- => Codewords - Direct cell parameters:    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
- => Codewords - Preferred orientation parameters:   0.0000  0.0000
- => Codewords - T.O.F. Peak shape parameter alpha0,beta0,alpha1,beta1/kappa,alpha-q,beta-Q:      0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-=> Codewords - Model-dependent Strain parameters s2,s1,s0:      0.00000     0.00000     0.00000
-
-
- => Cell constraints according to Laue symmetry: m-3  
-
- =>-------> PROFILE PARAMETERS FOR PATTERN:  4
-
- => Overall scale factor:    4.01718    
- => T.O.F. Extinction parameter:   0.0000
- => Overall temperature factor:      0.00000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:     23.05130    69.82100     0.00000     0.00000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain):       0.0000
- => T.O.F. Iso-Gaussian and Aniso-Lor (platelets/needles) Size parameters (G-Size,Ani-LorSiz)  :      0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000     1.68460     0.00000
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz):      0.00000     0.00000
- => Direct cell parameters:   10.2503  10.2503  10.2503  90.0000  90.0000  90.0000
- => Preferred orientation parameters:   1.0000  0.0000
- => T.O.F. Peak shape parameter alpha0,beta0,alpha1,beta1/kappa,alpha-q,beta-Q:      0.04056     0.00532     0.02387     0.08330     0.00000     0.00000
- => Model-dependent Strain parameters s2,s1,s0:      0.00000     0.00000     0.00000
-
-
- ==> CODEWORDS FOR PROFILE PARAMETERS of PATTERN#  4
-
- => Codeword -Overall scale factor:   0.00000    
- => Codeword  - T.O.F. Extinction parameter:   0.0000
- => Codeword  - Overall temperature factor:      0.00000
- => Codewords - T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:      0.00000     0.00000     0.00000     0.00000
- => Codewords - T.O.F. Isotropic Gaussian strain parameter (G-strain):       0.0000
- => Codewords - T.O.F. Iso-Gaussian and Aniso-Lor (platelets/needles) Size parameters (G-Size,Ani-LorSize)  :      0.00000     0.00000
- => Codewords - T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000     0.00000     0.00000
- => Codewords - T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz):      0.00000     0.00000
- => Codewords - Direct cell parameters:    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
- => Codewords - Preferred orientation parameters:   0.0000  0.0000
- => Codewords - T.O.F. Peak shape parameter alpha0,beta0,alpha1,beta1/kappa,alpha-q,beta-Q:      0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-=> Codewords - Model-dependent Strain parameters s2,s1,s0:      0.00000     0.00000     0.00000
-
-
- => Cell constraints according to Laue symmetry: m-3  
-
- =>-------> PROFILE PARAMETERS FOR PATTERN:  5
-
- => Overall scale factor:    4.11644    
- => T.O.F. Extinction parameter:   0.0000
- => Overall temperature factor:      0.00000
- => T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:     15.40630     0.00000     0.00000     0.00000
- => T.O.F. Isotropic Gaussian strain parameter (G-strain):       0.0000
- => T.O.F. Iso-Gaussian and Aniso-Lor (platelets/needles) Size parameters (G-Size,Ani-LorSiz)  :      0.00000     0.00000
- => T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000     8.29040     0.00000
- => T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz):      0.00000     0.00000
- => Direct cell parameters:   10.2503  10.2503  10.2503  90.0000  90.0000  90.0000
- => Preferred orientation parameters:   1.0000  0.0000
- => T.O.F. Peak shape parameter alpha0,beta0,alpha1,beta1/kappa,alpha-q,beta-Q:      0.01444     0.00471     0.05507     0.13737     0.00000     0.00000
- => Model-dependent Strain parameters s2,s1,s0:      0.00000     0.00000     0.00000
-
-
- ==> CODEWORDS FOR PROFILE PARAMETERS of PATTERN#  5
-
- => Codeword -Overall scale factor:   0.00000    
- => Codeword  - T.O.F. Extinction parameter:   0.0000
- => Codeword  - Overall temperature factor:      0.00000
- => Codewords - T.O.F. Gaussian variances Sig-2, Sig-1, Sig-0, Sig-Q:      0.00000     0.00000     0.00000     0.00000
- => Codewords - T.O.F. Isotropic Gaussian strain parameter (G-strain):       0.0000
- => Codewords - T.O.F. Iso-Gaussian and Aniso-Lor (platelets/needles) Size parameters (G-Size,Ani-LorSize)  :      0.00000     0.00000
- => Codewords - T.O.F. Lorentzian FWHM Gam-2, Gam-1, Gam-0:      0.00000     0.00000     0.00000
- => Codewords - T.O.F. Isotropic Lorentzian strain and size parameters (LStr,LSiz):      0.00000     0.00000
- => Codewords - Direct cell parameters:    0.0000   0.0000   0.0000   0.0000   0.0000   0.0000
- => Codewords - Preferred orientation parameters:   0.0000  0.0000
- => Codewords - T.O.F. Peak shape parameter alpha0,beta0,alpha1,beta1/kappa,alpha-q,beta-Q:      0.00000     0.00000     0.00000     0.00000     0.00000     0.00000
-=> Codewords - Model-dependent Strain parameters s2,s1,s0:      0.00000     0.00000     0.00000
-
-
- => Cell constraints according to Laue symmetry: m-3  
-
  => Laue symmetry m-3   will be used to generate HKL for pattern#   1
  => Reflections generated between S(1/d)min:  0.2009 A-1 and S(1/d)max:  2.6092 A-1
  =>                                    dmax:  4.9784 A   and      dmin:  0.3833 A
@@ -872,71 +332,15 @@
  AL     0.3449
  NA     0.3630
  F      0.5654
-
- => Laue symmetry m-3   will be used to generate HKL for pattern#   2
- => Reflections generated between S(1/d)min:  0.1711 A-1 and S(1/d)max:  2.3131 A-1
- =>                                    dmax:  5.8458 A   and      dmin:  0.4323 A
- => The number of reflections generated is:   1283
- => The max. scatt. variable (gen.ref.) is:    109083.4844
- => Scattering coefficients from internal table
-
- => Scattering lengths:
-
- CA     0.4700
- AL     0.3449
- NA     0.3630
- F      0.5654
-
- => Laue symmetry m-3   will be used to generate HKL for pattern#   3
- => Reflections generated between S(1/d)min:  0.1290 A-1 and S(1/d)max:  1.9387 A-1
- =>                                    dmax:  7.7513 A   and      dmin:  0.5158 A
- => The number of reflections generated is:    767
- => The max. scatt. variable (gen.ref.) is:    117086.1953
- => Scattering coefficients from internal table
-
- => Scattering lengths:
-
- CA     0.4700
- AL     0.3449
- NA     0.3630
- F      0.5654
-
- => Laue symmetry m-3   will be used to generate HKL for pattern#   4
- => Reflections generated between S(1/d)min:  0.0764 A-1 and S(1/d)max:  1.7430 A-1
- =>                                    dmax: 13.0914 A   and      dmin:  0.5737 A
- => The number of reflections generated is:    567
- => The max. scatt. variable (gen.ref.) is:    136018.0156
- => Scattering coefficients from internal table
-
- => Scattering lengths:
-
- CA     0.4700
- AL     0.3449
- NA     0.3630
- F      0.5654
-
- => Laue symmetry m-3   will be used to generate HKL for pattern#   5
- => Reflections generated between S(1/d)min:  0.0188 A-1 and S(1/d)max:  0.7975 A-1
- =>                                    dmax: 53.3048 A   and      dmin:  1.2539 A
- => The number of reflections generated is:     63
- => The max. scatt. variable (gen.ref.) is:    265781.8438
- => Scattering coefficients from internal table
-
- => Scattering lengths:
-
- CA     0.4700
- AL     0.3449
- NA     0.3630
- F      0.5654
   
  
  => No optimization for routine tasks
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
  => CYCLE No.:    1
- ------------------------------------------------------------------------------------------------------------------------------------
- => Phase  1 Name: Y5Al3O12 Nuclear
- ------------------------------------------------------------------------------------------------------------------------------------
+ ---------------------------------------------------------------------------------------
+ => Phase  1 Name: Y5Al3O12 Nuclear                                                      
+ ---------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
@@ -1045,8 +449,8 @@
 
  => ---------> Pattern#  1
  => Phase:  1
- =>    Bragg R-factor:  3.99    
- =>    RF-factor     :  18.8    
+ =>    Bragg R-factor:  4.03    
+ =>    RF-factor     :  16.1    
 
 
    Standard deviations have to be multiplied by: 3.2042
@@ -1054,14 +458,14 @@
   -J.F.Berar & P.Lelann, J. Appl. Cryst. 24, 1-5 (1991) 
   -J.F.Berar, Acc. in Pow. Diff. II,NIST Sp.Pub. 846, 63(1992) 
 
- ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
+ ++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 
  => CYCLE No.:    1
  =>  Convergence reached at this CYCLE !!!!
  =>  Parameter shifts set to zero
- ------------------------------------------------------------------------------------------------------------------------------------
- => Phase  1 Name: Y5Al3O12 Nuclear
- ------------------------------------------------------------------------------------------------------------------------------------
+ ---------------------------------------------------------------------------------------
+ => Phase  1 Name: Y5Al3O12 Nuclear                                                      
+ ---------------------------------------------------------------------------------------
  => New parameters, shifts, and standard deviations
 
  Atom        x       dx      sx       y       dy      sy       z       dz      sz       B       dB      sB      occ.    docc.   socc.
@@ -1148,7 +552,7 @@
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.1054E+07    0.3685E+07
 
- => N-sigma of the GoF:      620.211
+ => N-sigma of the GoF:      620.204
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
@@ -1166,72 +570,72 @@
  => (Values obtained using Ynet, but true sigma(y))
  =>  SumYnet, Sum(w Ynet**2):     0.1054E+07    0.3685E+07
 
- => N-sigma of the GoF:      633.890
+ => N-sigma of the GoF:      633.883
 
  => Global user-weigthed Chi2 (Bragg contrib.):   15.9    
 
  => ---------> Pattern#  1
  => Phase:  1
- =>    Bragg R-factor:  3.99    
- =>    RF-factor     :  18.8    
+ =>    Bragg R-factor:  4.03    
+ =>    RF-factor     :  16.1    
 
- --------------------------------------------------------------------------------------------------------------------------------------------------------
- Pattern#  1 Phase No.:   1 Phase name: Y5Al3O12 Nuclear
- --------------------------------------------------------------------------------------------------------------------------------------------------------
+ --------------------------------------------------------------------------------------------------------------
+ Pattern#  1 Phase No.:   1 Phase name: Y5Al3O12 Nuclear              
+ --------------------------------------------------------------------------------------------------------------
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-      1   1     14  18   6    24     1.763    9030.235       22.5       10.9    147.693   1.763   0.000   0.000  0.434708  0.242898  0.278562  1.000000
-      2   1     18  14   6    24     1.763    9030.235        1.1        0.5      7.214   1.763   0.000   0.000  0.434708  0.242898  0.278562  1.000000
-      3   1     22   6   6    24     1.763    9030.235       26.3       12.7    172.120   1.763   0.000   0.000  0.434708  0.242898  0.278562  1.000000
-      4   1      4  23   3    24     1.769    9046.521       47.7        0.0     71.862   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+      1   1     14  18   6    24     1.763    9030.235       22.5       10.9    147.703   1.763   0.000   0.000  0.434708  0.242898  0.278562  1.000000
+      2   1     18  14   6    24     1.763    9030.235        1.1        0.5      7.215   1.763   0.000   0.000  0.434708  0.242898  0.278562  1.000000
+      3   1     22   6   6    24     1.763    9030.235       26.3       12.7    172.133   1.763   0.000   0.000  0.434708  0.242898  0.278562  1.000000
+      4   1      4  23   3    24     1.769    9046.521       47.7        0.0     71.860   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
       5   1      5  23   0    12     1.769    9046.521       21.0        0.0     31.549   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
-      6   1      8  21   7    24     1.769    9046.521      145.5        0.0    219.066   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
-      7   1     12  17  11    24     1.769    9046.521       93.6        0.0    140.864   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
-      8   1     12  19   7    24     1.769    9046.521       15.3        0.0     22.968   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+      6   1      8  21   7    24     1.769    9046.521      145.5        0.0    219.061   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+      7   1     12  17  11    24     1.769    9046.521       93.6        0.0    140.862   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+      8   1     12  19   7    24     1.769    9046.521       15.3        0.0     22.967   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
       9   1     16  17   3    24     1.769    9046.521        5.6        0.0      8.500   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
-     10   1     17  12  11    24     1.769    9046.521      106.9        0.0    160.975   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
-     11   1     17  16   3    24     1.769    9046.521      134.9        0.0    203.054   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
-     12   1     19  12   7    24     1.769    9046.521       23.8        0.0     35.808   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
-     13   1     21   8   7    24     1.769    9046.521       50.1        0.0     75.471   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
-     14   1     23   4   3    24     1.769    9046.521       68.0        0.0    102.441   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+     10   1     17  12  11    24     1.769    9046.521      106.9        0.0    160.971   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+     11   1     17  16   3    24     1.769    9046.521      134.9        0.0    203.051   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+     12   1     19  12   7    24     1.769    9046.521       23.8        0.0     35.807   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+     13   1     21   8   7    24     1.769    9046.521       50.1        0.0     75.470   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
+     14   1     23   4   3    24     1.769    9046.521       68.0        0.0    102.438   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
      15   1     23   5   0    12     1.769    9046.521        5.1        0.0      7.738   1.769   0.000   0.000  0.435492  0.242444  0.276610  1.000000
-     16   1      8  22   2    24     1.776    9062.894       53.7        0.0    106.617   1.776   0.000   0.000  0.436280  0.241989  0.274665  1.000000
-     17   1     14  16  10    24     1.776    9062.894       68.6        0.0    136.167   1.776   0.000   0.000  0.436280  0.241989  0.274665  1.000000
-     18   1     16  14  10    24     1.776    9062.894      163.1        0.0    323.654   1.776   0.000   0.000  0.436280  0.241989  0.274665  1.000000
-     19   1     22   8   2    24     1.776    9062.894      182.5        0.0    362.261   1.776   0.000   0.000  0.436280  0.241989  0.274665  1.000000
-     20   1     10  21   3    24     1.782    9079.358       70.0        4.8    151.370   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
-     21   1     15  15  10    24     1.782    9079.358      138.2        9.4    298.670   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
-     22   1     15  17   6    24     1.782    9079.358       89.7        6.1    193.905   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
-     23   1     15  18   1    24     1.782    9079.358       16.3        1.1     35.177   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
-     24   1     17  15   6    24     1.782    9079.358       13.8        0.9     29.819   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
-     25   1     18  15   1    24     1.782    9079.358       72.1        4.9    155.933   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
-     26   1     21  10   3    24     1.782    9079.358       99.1        6.8    214.084   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
-     27   1      8  22   0    12     1.789    9095.911        0.4        1.7      0.892   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
-     28   1     12  20   2    24     1.789    9095.911       36.5      157.9     82.633   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
-     29   1     16  16   6    24     1.789    9095.911       26.3      113.9     59.640   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
-     30   1     20  12   2    24     1.789    9095.911      266.6     1154.5    604.266   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
-     31   1     22   8   0    12     1.789    9095.911      136.1      589.4    308.482   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
-     32   1      4  23   1    24     1.795    9112.555       30.0        0.0     30.560   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
-     33   1     11  19   8    24     1.795    9112.555      109.9        0.0    112.087   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
-     34   1     11  20   5    24     1.795    9112.555       60.4        0.0     61.651   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
-     35   1     13  16  11    24     1.795    9112.555       19.6        0.0     19.944   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
-     36   1     13  19   4    24     1.795    9112.555      139.6        0.0    142.428   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
-     37   1     16  13  11    24     1.795    9112.555       75.0        0.0     76.527   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
-     38   1     16  17   1    24     1.795    9112.555      179.2        0.0    182.784   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
-     39   1     17  16   1    24     1.795    9112.555       51.5        0.0     52.578   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
-     40   1     19  11   8    24     1.795    9112.555      120.4        0.0    122.797   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
-     41   1     19  13   4    24     1.795    9112.555      197.0        0.0    200.912   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
-     42   1     20  11   5    24     1.795    9112.555       66.5        0.0     67.842   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
-     43   1     23   4   1    24     1.795    9112.555       15.8        0.0     16.110   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
-     44   1     12  20   0    12     1.802    9129.291        6.5       12.3     31.398   1.802   0.000   0.000  0.439476  0.240162  0.266954  1.000000
-     45   1     16  12  12    24     1.802    9129.291      113.3      215.9    551.573   1.802   0.000   0.000  0.439476  0.240162  0.266954  1.000000
-     46   1     20  12   0    12     1.802    9129.291        1.6        3.0      7.643   1.802   0.000   0.000  0.439476  0.240162  0.266954  1.000000
+     16   1      8  22   2    24     1.776    9062.895       53.7        0.0    106.603   1.776   0.000   0.000  0.436280  0.241989  0.274665  1.000000
+     17   1     14  16  10    24     1.776    9062.895       68.6        0.0    136.148   1.776   0.000   0.000  0.436280  0.241989  0.274665  1.000000
+     18   1     16  14  10    24     1.776    9062.895      163.1        0.0    323.610   1.776   0.000   0.000  0.436280  0.241989  0.274665  1.000000
+     19   1     22   8   2    24     1.776    9062.895      182.5        0.0    362.211   1.776   0.000   0.000  0.436280  0.241989  0.274665  1.000000
+     20   1     10  21   3    24     1.782    9079.357       70.0        4.8    151.365   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
+     21   1     15  15  10    24     1.782    9079.357      138.2        9.4    298.662   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
+     22   1     15  17   6    24     1.782    9079.357       89.7        6.1    193.900   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
+     23   1     15  18   1    24     1.782    9079.357       16.3        1.1     35.176   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
+     24   1     17  15   6    24     1.782    9079.357       13.8        0.9     29.819   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
+     25   1     18  15   1    24     1.782    9079.357       72.1        4.9    155.929   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
+     26   1     21  10   3    24     1.782    9079.357       99.1        6.8    214.079   1.782   0.000   0.000  0.437072  0.241534  0.272726  1.000000
+     27   1      8  22   0    12     1.789    9095.910        0.4        1.7      0.892   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
+     28   1     12  20   2    24     1.789    9095.910       36.4      157.9     82.629   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
+     29   1     16  16   6    24     1.789    9095.910       26.3      113.9     59.637   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
+     30   1     20  12   2    24     1.789    9095.910      266.5     1154.5    604.247   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
+     31   1     22   8   0    12     1.789    9095.910      136.1      589.4    308.472   1.789   0.000   0.000  0.437869  0.241077  0.270795  1.000000
+     32   1      4  23   1    24     1.795    9112.556       30.0        0.0     30.563   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     33   1     11  19   8    24     1.795    9112.556      109.9        0.0    112.096   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     34   1     11  20   5    24     1.795    9112.556       60.4        0.0     61.656   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     35   1     13  16  11    24     1.795    9112.556       19.6        0.0     19.945   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     36   1     13  19   4    24     1.795    9112.556      139.6        0.0    142.440   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     37   1     16  13  11    24     1.795    9112.556       75.0        0.0     76.534   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     38   1     16  17   1    24     1.795    9112.556      179.2        0.0    182.800   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     39   1     17  16   1    24     1.795    9112.556       51.5        0.0     52.582   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     40   1     19  11   8    24     1.795    9112.556      120.4        0.0    122.807   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     41   1     19  13   4    24     1.795    9112.556      197.0        0.0    200.929   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     42   1     20  11   5    24     1.795    9112.556       66.5        0.0     67.847   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     43   1     23   4   1    24     1.795    9112.556       15.8        0.0     16.111   1.795   0.000   0.000  0.438670  0.240620  0.268871  1.000000
+     44   1     12  20   0    12     1.802    9129.291        6.5       12.3     31.396   1.802   0.000   0.000  0.439476  0.240162  0.266954  1.000000
+     45   1     16  12  12    24     1.802    9129.291      113.3      215.9    551.548   1.802   0.000   0.000  0.439476  0.240162  0.266954  1.000000
+     46   1     20  12   0    12     1.802    9129.291        1.6        3.0      7.642   1.802   0.000   0.000  0.439476  0.240162  0.266954  1.000000
      47   1      3  23   2    24     1.809    9146.119       31.1       56.2     54.142   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
-     48   1      7  22   3    24     1.809    9146.119      124.2      224.6    216.300   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
+     48   1      7  22   3    24     1.809    9146.119      124.2      224.6    216.299   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
      49   1     10  19   9    24     1.809    9146.119      115.4      208.6    200.898   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
      50   1     10  21   1    24     1.809    9146.119       52.1       94.1     90.645   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
-     51   1     13  18   7    24     1.809    9146.119       29.5       53.4     51.378   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
+     51   1     13  18   7    24     1.809    9146.119       29.5       53.4     51.377   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
      52   1     14  15  11    24     1.809    9146.119        1.9        3.5      3.326   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
      53   1     15  14  11    24     1.809    9146.119      153.2      277.0    266.734   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
      54   1     18  13   7    24     1.809    9146.119       54.1       97.7     94.127   1.809   0.000   0.000  0.440286  0.239703  0.265044  1.000000
@@ -1250,138 +654,138 @@
      64   1     23   3   0    12     1.822    9180.057      203.6        0.0    483.849   1.822   0.000   0.000  0.441920  0.238783  0.261245  1.000000
      65   1      6  22   4    24     1.829    9197.167       50.9      159.5     78.505   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
      66   1     10  20   6    24     1.829    9197.167      130.9      410.1    201.809   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
-     67   1     14  14  12    24     1.829    9197.167       67.5      211.4    104.034   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
-     68   1     14  18   4    24     1.829    9197.167      207.2      649.4    319.545   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
+     67   1     14  14  12    24     1.829    9197.167       67.5      211.4    104.035   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
+     68   1     14  18   4    24     1.829    9197.167      207.2      649.4    319.544   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
      69   1     18  14   4    24     1.829    9197.167       20.1       63.0     30.985   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
      70   1     20  10   6    24     1.829    9197.167       84.3      264.2    130.005   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
      71   1     22   6   4    24     1.829    9197.167      151.6      475.0    233.733   1.829   0.000   0.000  0.442744  0.238321  0.259356  1.000000
-     72   1      2  23   1    24     1.836    9214.374      498.5      484.3    344.747   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
-     73   1      7  22   1    24     1.836    9214.374      239.2      232.4    165.441   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     72   1      2  23   1    24     1.836    9214.374      498.5      484.3    344.751   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     73   1      7  22   1    24     1.836    9214.374      239.2      232.4    165.443   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
      74   1     13  19   2    24     1.836    9214.374       32.6       31.6     22.521   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
-     75   1     14  13  13    24     1.836    9214.374      264.8      257.2    183.128   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     75   1     14  13  13    24     1.836    9214.374      264.8      257.2    183.129   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
      76   1     14  17   7    24     1.836    9214.374       37.4       36.3     25.860   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
-     77   1     17  14   7    24     1.836    9214.374       53.0       51.4     36.619   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
-     78   1     19  13   2    24     1.836    9214.374      361.0      350.7    249.670   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
-     79   1     22   5   5    24     1.836    9214.374      366.3      355.8    253.309   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     77   1     17  14   7    24     1.836    9214.374       53.0       51.4     36.620   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     78   1     19  13   2    24     1.836    9214.374      361.0      350.7    249.672   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
+     79   1     22   5   5    24     1.836    9214.374      366.3      355.8    253.311   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
      80   1     22   7   1    24     1.836    9214.374       53.4       51.9     36.944   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
      81   1     23   2   1    24     1.836    9214.374       19.1       18.6     13.222   1.836   0.000   0.000  0.443572  0.237859  0.257474  1.000000
-     82   1     12  18   8    24     1.843    9231.678      359.4        0.0    664.575   1.843   0.000   0.000  0.444405  0.237395  0.255599  1.000000
-     83   1     18  12   8    24     1.843    9231.678       14.8        0.0     27.346   1.843   0.000   0.000  0.444405  0.237395  0.255599  1.000000
+     82   1     12  18   8    24     1.843    9231.679      359.4        0.0    664.624   1.843   0.000   0.000  0.444405  0.237395  0.255599  1.000000
+     83   1     18  12   8    24     1.843    9231.679       14.8        0.0     27.348   1.843   0.000   0.000  0.444405  0.237395  0.255599  1.000000
      84   1      1  23   0    12     1.849    9249.080        7.1        0.0      6.331   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
-     85   1      8  21   5    24     1.849    9249.080      101.4        0.0     90.672   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
-     86   1      9  20   7    24     1.849    9249.080       47.2        0.0     42.151   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
-     87   1     11  20   3    24     1.849    9249.080      230.3        0.0    205.843   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
-     88   1     12  19   5    24     1.849    9249.080       78.2        0.0     69.929   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
-     89   1     13  19   0    12     1.849    9249.080       20.5        0.0     18.291   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
-     90   1     15  16   7    24     1.849    9249.080      230.9        0.0    206.428   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
-     91   1     15  17   4    24     1.849    9249.080      106.1        0.0     94.840   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
-     92   1     16  15   7    24     1.849    9249.080      181.4        0.0    162.127   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
-     93   1     17  15   4    24     1.849    9249.080       87.5        0.0     78.195   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     85   1      8  21   5    24     1.849    9249.080      101.4        0.0     90.670   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     86   1      9  20   7    24     1.849    9249.080       47.2        0.0     42.150   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     87   1     11  20   3    24     1.849    9249.080      230.3        0.0    205.839   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     88   1     12  19   5    24     1.849    9249.080       78.2        0.0     69.928   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     89   1     13  19   0    12     1.849    9249.080       20.5        0.0     18.290   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     90   1     15  16   7    24     1.849    9249.080      230.9        0.0    206.424   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     91   1     15  17   4    24     1.849    9249.080      106.1        0.0     94.838   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     92   1     16  15   7    24     1.849    9249.080      181.4        0.0    162.124   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     93   1     17  15   4    24     1.849    9249.080       87.5        0.0     78.194   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
      94   1     19  12   5    24     1.849    9249.080       15.9        0.0     14.253   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
      95   1     19  13   0    12     1.849    9249.080       32.2        0.0     28.825   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
      96   1     20   9   7    24     1.849    9249.080        6.7        0.0      5.985   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
      97   1     20  11   3    24     1.849    9249.080       22.8        0.0     20.413   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
-     98   1     21   8   5    24     1.849    9249.080       97.0        0.0     86.743   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
+     98   1     21   8   5    24     1.849    9249.080       97.0        0.0     86.742   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
      99   1     23   1   0    12     1.849    9249.080       18.8        0.0     16.833   1.849   0.000   0.000  0.445243  0.236931  0.253731  1.000000
-    100   1     16  16   4    24     1.856    9266.581      203.1        0.0    349.658   1.856   0.000   0.000  0.446085  0.236466  0.251870  1.000000
-    101   1     20   8   8    24     1.856    9266.581      255.8        0.0    440.406   1.856   0.000   0.000  0.446085  0.236466  0.251870  1.000000
-    102   1      7  21   6    24     1.864    9284.182      188.5       80.6    179.332   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
+    100   1     16  16   4    24     1.856    9266.581      203.1        0.0    349.657   1.856   0.000   0.000  0.446085  0.236466  0.251870  1.000000
+    101   1     20   8   8    24     1.856    9266.581      255.8        0.0    440.405   1.856   0.000   0.000  0.446085  0.236466  0.251870  1.000000
+    102   1      7  21   6    24     1.864    9284.182      188.5       80.6    179.331   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
     103   1      9  21   2    24     1.864    9284.182       52.8       22.6     50.214   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
-    104   1     11  18   9    24     1.864    9284.182       75.0       32.1     71.334   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
+    104   1     11  18   9    24     1.864    9284.182       75.0       32.1     71.335   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
     105   1     18  11   9    24     1.864    9284.182      492.2      210.4    468.160   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
     106   1     21   7   6    24     1.864    9284.182      114.2       48.8    108.594   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
-    107   1     21   9   2    24     1.864    9284.182      226.4       96.8    215.378   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
-    108   1      6  22   2    24     1.871    9301.882      345.9      452.2    613.083   1.871   0.000   0.000  0.447784  0.235534  0.248170  1.000000
-    109   1     14  18   2    24     1.871    9301.882       11.5       15.1     20.437   1.871   0.000   0.000  0.447784  0.235534  0.248170  1.000000
-    110   1     18  10  10    24     1.871    9301.882       57.9       75.8    102.701   1.871   0.000   0.000  0.447784  0.235534  0.248170  1.000000
+    107   1     21   9   2    24     1.864    9284.182      226.4       96.8    215.377   1.864   0.000   0.000  0.446932  0.236000  0.250016  1.000000
+    108   1      6  22   2    24     1.871    9301.882      345.9      452.2    613.093   1.871   0.000   0.000  0.447784  0.235534  0.248170  1.000000
+    109   1     14  18   2    24     1.871    9301.882       11.5       15.1     20.438   1.871   0.000   0.000  0.447784  0.235534  0.248170  1.000000
+    110   1     18  10  10    24     1.871    9301.882       57.9       75.8    102.702   1.871   0.000   0.000  0.447784  0.235534  0.248170  1.000000
     111   1     18  14   2    24     1.871    9301.882        7.3        9.6     13.012   1.871   0.000   0.000  0.447784  0.235534  0.248170  1.000000
-    112   1     22   6   2    24     1.871    9301.882      136.6      178.7    242.229   1.871   0.000   0.000  0.447784  0.235534  0.248170  1.000000
-    113   1      9  21   0    12     1.878    9319.684       32.7       80.3    126.630   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
-    114   1     11  20   1    24     1.878    9319.684       12.5       30.7     48.364   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
-    115   1     13  17   8    24     1.878    9319.684       19.2       47.1     74.237   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
-    116   1     17  13   8    24     1.878    9319.684       33.7       82.8    130.510   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
-    117   1     20  11   1    24     1.878    9319.684      131.9      323.6    510.263   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
-    118   1     21   9   0    12     1.878    9319.684        1.9        4.6      7.304   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
-    119   1      6  22   0    12     1.885    9337.590       21.8      165.2    106.672   1.885   0.000   0.000  0.449503  0.234598  0.244497  1.000000
-    120   1     14  18   0    12     1.885    9337.590        4.8       36.1     23.295   1.885   0.000   0.000  0.449503  0.234598  0.244497  1.000000
+    112   1     22   6   2    24     1.871    9301.882      136.6      178.7    242.233   1.871   0.000   0.000  0.447784  0.235534  0.248170  1.000000
+    113   1      9  21   0    12     1.878    9319.685       32.7       80.3    126.640   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
+    114   1     11  20   1    24     1.878    9319.685       12.5       30.7     48.369   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
+    115   1     13  17   8    24     1.878    9319.685       19.2       47.1     74.244   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
+    116   1     17  13   8    24     1.878    9319.685       33.7       82.8    130.520   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
+    117   1     20  11   1    24     1.878    9319.685      131.9      323.7    510.299   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
+    118   1     21   9   0    12     1.878    9319.685        1.9        4.6      7.305   1.878   0.000   0.000  0.448641  0.235066  0.246330  1.000000
+    119   1      6  22   0    12     1.885    9337.591       21.8      165.1    106.670   1.885   0.000   0.000  0.449503  0.234598  0.244497  1.000000
+    120   1     14  18   0    12     1.885    9337.591        4.8       36.1     23.295   1.885   0.000   0.000  0.449503  0.234598  0.244497  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    121   1     18  14   0    12     1.885    9337.590       78.9      598.3    386.400   1.885   0.000   0.000  0.449503  0.234598  0.244497  1.000000
-    122   1     22   6   0    12     1.885    9337.590       67.4      511.7    330.488   1.885   0.000   0.000  0.449503  0.234598  0.244497  1.000000
-    123   1      5  22   3    24     1.892    9355.600      165.6        0.0    183.507   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
-    124   1     11  19   6    24     1.892    9355.600       47.4        0.0     52.550   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
-    125   1     13  18   5    24     1.892    9355.600      168.0        0.0    186.188   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
-    126   1     15  17   2    24     1.892    9355.600      145.9        0.0    161.750   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
-    127   1     17  15   2    24     1.892    9355.600        0.7        0.0      0.765   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
-    128   1     18  13   5    24     1.892    9355.600      134.3        0.0    148.857   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
-    129   1     19  11   6    24     1.892    9355.600      102.3        0.0    113.444   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
-    130   1     22   5   3    24     1.892    9355.600       45.3        0.0     50.180   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
-    131   1     10  20   4    24     1.900    9373.712       30.3        0.0     25.736   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
-    132   1     14  16   8    24     1.900    9373.712      122.8        0.0    104.278   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
-    133   1     16  14   8    24     1.900    9373.712      576.8        0.0    489.863   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
-    134   1     16  16   2    24     1.900    9373.712        7.5        0.0      6.368   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
-    135   1     20  10   4    24     1.900    9373.712      366.9        0.0    311.625   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
-    136   1     22   4   4    24     1.900    9373.712       66.1        0.0     56.165   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
-    137   1      8  21   3    24     1.907    9391.933      147.2      135.0    200.701   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
-    138   1     12  17   9    24     1.907    9391.933       45.8       42.0     62.462   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
-    139   1     12  19   3    24     1.907    9391.933       11.1       10.1     15.074   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
-    140   1     15  15   8    24     1.907    9391.933      150.2      137.6    204.677   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
-    141   1     15  17   0    12     1.907    9391.933       17.7       16.2     24.093   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
-    142   1     17  12   9    24     1.907    9391.933      119.1      109.2    162.332   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
-    143   1     17  15   0    12     1.907    9391.933      110.1      100.9    150.051   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
-    144   1     19  12   3    24     1.907    9391.933       51.1       46.8     69.636   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
-    145   1     21   8   3    24     1.907    9391.933       92.4       84.7    125.972   1.907   0.000   0.000  0.452119  0.233187  0.239041  1.000000
-    146   1     16  16   0    12     1.914    9410.258      298.1      284.2    767.707   1.914   0.000   0.000  0.453002  0.232714  0.237237  1.000000
-    147   1      5  22   1    24     1.922    9428.691       27.5        0.6     24.247   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
-    148   1     10  19   7    24     1.922    9428.691      310.5        6.2    273.283   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
-    149   1     11  17  10    24     1.922    9428.691      714.8       14.4    629.110   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
-    150   1     14  17   5    24     1.922    9428.691       58.8        1.2     51.786   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
-    151   1     17  11  10    24     1.922    9428.691       30.5        0.6     26.858   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
-    152   1     17  14   5    24     1.922    9428.691       33.4        0.7     29.372   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
-    153   1     19  10   7    24     1.922    9428.691       45.0        0.9     39.632   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
-    154   1     22   5   1    24     1.922    9428.691      280.5        5.6    246.908   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
-    155   1      7  21   4    24     1.937    9465.885      167.8      123.9    110.508   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    121   1     18  14   0    12     1.885    9337.591       78.9      598.2    386.392   1.885   0.000   0.000  0.449503  0.234598  0.244497  1.000000
+    122   1     22   6   0    12     1.885    9337.591       67.4      511.6    330.481   1.885   0.000   0.000  0.449503  0.234598  0.244497  1.000000
+    123   1      5  22   3    24     1.892    9355.599      165.6        0.0    183.502   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    124   1     11  19   6    24     1.892    9355.599       47.4        0.0     52.549   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    125   1     13  18   5    24     1.892    9355.599      168.0        0.0    186.183   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    126   1     15  17   2    24     1.892    9355.599      145.9        0.0    161.744   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    127   1     17  15   2    24     1.892    9355.599        0.7        0.0      0.765   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    128   1     18  13   5    24     1.892    9355.599      134.3        0.0    148.852   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    129   1     19  11   6    24     1.892    9355.599      102.3        0.0    113.440   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    130   1     22   5   3    24     1.892    9355.599       45.3        0.0     50.178   1.892   0.000   0.000  0.450370  0.234128  0.242672  1.000000
+    131   1     10  20   4    24     1.900    9373.713       30.3        0.0     25.739   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
+    132   1     14  16   8    24     1.900    9373.713      122.8        0.0    104.284   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
+    133   1     16  14   8    24     1.900    9373.713      576.8        0.0    489.891   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
+    134   1     16  16   2    24     1.900    9373.713        7.5        0.0      6.368   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
+    135   1     20  10   4    24     1.900    9373.713      366.9        0.0    311.644   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
+    136   1     22   4   4    24     1.900    9373.713       66.1        0.0     56.169   1.900   0.000   0.000  0.451242  0.233658  0.240853  1.000000
+    137   1      8  21   3    24     1.907    9391.933      147.2      135.0    200.698   1.907   0.000   0.000  0.452119  0.233186  0.239041  1.000000
+    138   1     12  17   9    24     1.907    9391.933       45.8       42.0     62.460   1.907   0.000   0.000  0.452119  0.233186  0.239041  1.000000
+    139   1     12  19   3    24     1.907    9391.933       11.1       10.1     15.074   1.907   0.000   0.000  0.452119  0.233186  0.239041  1.000000
+    140   1     15  15   8    24     1.907    9391.933      150.2      137.6    204.673   1.907   0.000   0.000  0.452119  0.233186  0.239041  1.000000
+    141   1     15  17   0    12     1.907    9391.933       17.7       16.2     24.093   1.907   0.000   0.000  0.452119  0.233186  0.239041  1.000000
+    142   1     17  12   9    24     1.907    9391.933      119.1      109.2    162.328   1.907   0.000   0.000  0.452119  0.233186  0.239041  1.000000
+    143   1     17  15   0    12     1.907    9391.933      110.1      100.9    150.048   1.907   0.000   0.000  0.452119  0.233186  0.239041  1.000000
+    144   1     19  12   3    24     1.907    9391.933       51.1       46.8     69.634   1.907   0.000   0.000  0.452119  0.233186  0.239041  1.000000
+    145   1     21   8   3    24     1.907    9391.933       92.4       84.7    125.970   1.907   0.000   0.000  0.452119  0.233186  0.239041  1.000000
+    146   1     16  16   0    12     1.914    9410.258      298.1      284.2    767.684   1.914   0.000   0.000  0.453002  0.232714  0.237237  1.000000
+    147   1      5  22   1    24     1.922    9428.690       27.5        0.6     24.245   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    148   1     10  19   7    24     1.922    9428.690      310.5        6.2    273.266   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    149   1     11  17  10    24     1.922    9428.690      714.8       14.4    629.072   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    150   1     14  17   5    24     1.922    9428.690       58.8        1.2     51.783   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    151   1     17  11  10    24     1.922    9428.690       30.5        0.6     26.856   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    152   1     17  14   5    24     1.922    9428.690       33.4        0.7     29.370   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    153   1     19  10   7    24     1.922    9428.690       45.0        0.9     39.630   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    154   1     22   5   1    24     1.922    9428.690      280.5        5.6    246.893   1.922   0.000   0.000  0.453889  0.232241  0.235439  1.000000
+    155   1      7  21   4    24     1.937    9465.885      167.8      123.9    110.509   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
     156   1      8  21   1    24     1.937    9465.885      181.1      133.7    119.281   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
     157   1      9  19   8    24     1.937    9465.885       50.7       37.5     33.416   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
     158   1      9  20   5    24     1.937    9465.885       23.0       17.0     15.155   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
     159   1     12  19   1    24     1.937    9465.885      132.2       97.6     87.085   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
-    160   1     13  16   9    24     1.937    9465.885      119.3       88.1     78.616   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    160   1     13  16   9    24     1.937    9465.885      119.3       88.1     78.617   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
     161   1     15  16   5    24     1.937    9465.885      185.2      136.8    121.970   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
-    162   1     16  13   9    24     1.937    9465.885      447.3      330.4    294.656   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
-    163   1     16  15   5    24     1.937    9465.885      177.8      131.3    117.092   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
-    164   1     19   9   8    24     1.937    9465.885       59.8       44.2     39.399   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
-    165   1     19  12   1    24     1.937    9465.885       59.9       44.3     39.475   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
-    166   1     20   9   5    24     1.937    9465.885       77.7       57.4     51.163   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
-    167   1     21   7   4    24     1.937    9465.885       82.6       61.0     54.385   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
-    168   1     21   8   1    24     1.937    9465.885      397.0      293.2    261.540   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
-    169   1      4  22   2    24     1.945    9484.647      287.3      154.2    183.330   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
-    170   1     10  20   2    24     1.945    9484.647      384.2      206.2    245.118   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
-    171   1     12  18   6    24     1.945    9484.647      290.9      156.1    185.577   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
-    172   1     18  12   6    24     1.945    9484.647      613.9      329.4    391.667   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
+    162   1     16  13   9    24     1.937    9465.885      447.3      330.4    294.659   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    163   1     16  15   5    24     1.937    9465.885      177.8      131.3    117.094   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    164   1     19   9   8    24     1.937    9465.885       59.8       44.2     39.400   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    165   1     19  12   1    24     1.937    9465.885       59.9       44.3     39.476   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    166   1     20   9   5    24     1.937    9465.885       77.7       57.4     51.164   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    167   1     21   7   4    24     1.937    9465.885       82.6       61.0     54.386   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    168   1     21   8   1    24     1.937    9465.885      397.0      293.3    261.543   1.937   0.000   0.000  0.455679  0.231292  0.231865  1.000000
+    169   1      4  22   2    24     1.945    9484.647      287.3      154.2    183.334   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
+    170   1     10  20   2    24     1.945    9484.647      384.2      206.2    245.121   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
+    171   1     12  18   6    24     1.945    9484.647      290.9      156.1    185.580   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
+    172   1     18  12   6    24     1.945    9484.647      613.9      329.4    391.672   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
     173   1     20  10   2    24     1.945    9484.647        6.2        3.3      3.974   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
-    174   1     22   4   2    24     1.945    9484.647      131.9       70.8     84.184   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
-    175   1      6  21   5    24     1.953    9503.522      144.9      150.9    114.558   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
-    176   1     13  18   3    24     1.953    9503.522      143.8      149.7    113.659   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
-    177   1     14  15   9    24     1.953    9503.522      449.2      467.8    355.111   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
-    178   1     15  14   9    24     1.953    9503.522       21.5       22.4     16.974   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
-    179   1     18  13   3    24     1.953    9503.522      356.7      371.4    281.945   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
-    180   1     21   6   5    24     1.953    9503.522      275.3      286.7    217.635   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
+    174   1     22   4   2    24     1.945    9484.647      131.9       70.8     84.186   1.945   0.000   0.000  0.456583  0.230816  0.230089  1.000000
+    175   1      6  21   5    24     1.953    9503.523      144.9      150.9    114.558   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
+    176   1     13  18   3    24     1.953    9503.523      143.8      149.7    113.660   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
+    177   1     14  15   9    24     1.953    9503.523      449.2      467.8    355.115   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
+    178   1     15  14   9    24     1.953    9503.523       21.5       22.4     16.974   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
+    179   1     18  13   3    24     1.953    9503.523      356.7      371.4    281.947   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
+    180   1     21   6   5    24     1.953    9503.523      275.3      286.7    217.637   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    181   1     22   3   3    24     1.953    9503.522       41.4       43.1     32.722   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
-    182   1      4  22   0    12     1.960    9522.511      331.7      437.2    253.837   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
+    181   1     22   3   3    24     1.953    9503.523       41.4       43.1     32.722   1.953   0.000   0.000  0.457491  0.230339  0.228320  1.000000
+    182   1      4  22   0    12     1.960    9522.511      331.7      437.2    253.833   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
     183   1      8  20   6    24     1.960    9522.511       57.2       75.4     43.792   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
-    184   1     10  20   0    12     1.960    9522.511      153.3      202.1    117.337   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
-    185   1     12  16  10    24     1.960    9522.511      609.1      802.9    466.167   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
-    186   1     16  12  10    24     1.960    9522.511      226.1      298.1    173.065   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
-    187   1     20   8   6    24     1.960    9522.511      195.4      257.5    149.511   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
+    184   1     10  20   0    12     1.960    9522.511      153.3      202.1    117.335   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
+    185   1     12  16  10    24     1.960    9522.511      609.1      802.9    466.161   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
+    186   1     16  12  10    24     1.960    9522.511      226.1      298.1    173.062   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
+    187   1     20   8   6    24     1.960    9522.511      195.4      257.5    149.509   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
     188   1     20  10   0    12     1.960    9522.511       46.4       61.2     35.506   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
     189   1     22   4   0    12     1.960    9522.511        7.5        9.9      5.742   1.960   0.000   0.000  0.458405  0.229862  0.226557  1.000000
-    190   1     11  19   4    24     1.968    9541.613      321.2      928.4    579.844   1.968   0.000   0.000  0.459325  0.229383  0.224802  1.000000
-    191   1     16  11  11    24     1.968    9541.613      111.2      321.5    200.783   1.968   0.000   0.000  0.459325  0.229383  0.224802  1.000000
-    192   1     19  11   4    24     1.968    9541.613      258.1      745.8    465.786   1.968   0.000   0.000  0.459325  0.229383  0.224802  1.000000
+    190   1     11  19   4    24     1.968    9541.613      321.2      928.4    579.843   1.968   0.000   0.000  0.459325  0.229383  0.224802  1.000000
+    191   1     16  11  11    24     1.968    9541.613      111.2      321.5    200.782   1.968   0.000   0.000  0.459325  0.229383  0.224802  1.000000
+    192   1     19  11   4    24     1.968    9541.613      258.1      745.8    465.787   1.968   0.000   0.000  0.459325  0.229383  0.224802  1.000000
     193   1     20   7   7    24     1.968    9541.613        1.3        3.8      2.372   1.968   0.000   0.000  0.459325  0.229383  0.224802  1.000000
     194   1      3  22   1    24     1.984    9580.165      310.2       94.4    164.095   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
     195   1      7  21   2    24     1.984    9580.165       51.4       15.6     27.170   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
@@ -1397,321 +801,321 @@
     205   1     18  13   1    24     1.984    9580.165       63.9       19.4     33.815   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
     206   1     21   7   2    24     1.984    9580.165      411.9      125.3    217.916   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
     207   1     22   3   1    24     1.984    9580.165      244.4       74.3    129.280   1.984   0.000   0.000  0.461181  0.228423  0.221313  1.000000
-    208   1     14  14  10    24     1.992    9599.617       79.0      515.4    285.479   1.992   0.000   0.000  0.462117  0.227941  0.219578  1.000000
-    209   1     22   2   2    24     1.992    9599.617       85.3      555.9    307.917   1.992   0.000   0.000  0.462117  0.227941  0.219578  1.000000
-    210   1      7  21   0    12     2.000    9619.188      141.7      103.1    143.909   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
-    211   1      9  20   3    24     2.000    9619.188      479.1      348.5    486.499   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
-    212   1     12  15  11    24     2.000    9619.188       87.8       63.8     89.106   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
-    213   1     15  12  11    24     2.000    9619.188      132.0       96.0    134.030   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
-    214   1     15  16   3    24     2.000    9619.188       71.7       52.2     72.852   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
-    215   1     16  15   3    24     2.000    9619.188      106.7       77.6    108.297   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
-    216   1     20   9   3    24     2.000    9619.188      104.7       76.2    106.309   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    208   1     14  14  10    24     1.992    9599.617       79.0      515.4    285.490   1.992   0.000   0.000  0.462117  0.227941  0.219578  1.000000
+    209   1     22   2   2    24     1.992    9599.617       85.3      556.0    307.925   1.992   0.000   0.000  0.462117  0.227941  0.219578  1.000000
+    210   1      7  21   0    12     2.000    9619.188      141.7      103.1    143.918   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    211   1      9  20   3    24     2.000    9619.188      479.1      348.5    486.531   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    212   1     12  15  11    24     2.000    9619.188       87.8       63.8     89.111   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    213   1     15  12  11    24     2.000    9619.188      132.0       96.0    134.040   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    214   1     15  16   3    24     2.000    9619.188       71.8       52.2     72.857   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    215   1     16  15   3    24     2.000    9619.188      106.7       77.6    108.304   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
+    216   1     20   9   3    24     2.000    9619.188      104.7       76.2    106.316   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
     217   1     21   7   0    12     2.000    9619.188        4.7        3.4      4.778   2.000   0.000   0.000  0.463059  0.227458  0.217851  1.000000
-    218   1      2  22   0    12     2.009    9638.880      112.1       50.1     73.678   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
-    219   1     10  18   8    24     2.009    9638.880      440.8      196.9    289.815   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
-    220   1     14  16   6    24     2.009    9638.880      474.8      212.1    312.156   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
-    221   1     16  14   6    24     2.009    9638.880      510.3      227.9    335.515   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
-    222   1     18  10   8    24     2.009    9638.880      139.7       62.4     91.863   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
+    218   1      2  22   0    12     2.009    9638.880      112.1       50.1     73.676   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
+    219   1     10  18   8    24     2.009    9638.880      440.8      196.9    289.811   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
+    220   1     14  16   6    24     2.009    9638.880      474.8      212.1    312.151   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
+    221   1     16  14   6    24     2.009    9638.880      510.3      227.9    335.509   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
+    222   1     18  10   8    24     2.009    9638.880      139.7       62.4     91.861   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
     223   1     22   2   0    12     2.009    9638.880       21.6        9.7     14.229   2.009   0.000   0.000  0.464007  0.226975  0.216131  1.000000
-    224   1      6  21   3    24     2.017    9658.692      575.7      348.3    317.702   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    224   1      6  21   3    24     2.017    9658.692      575.7      348.3    317.706   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
     225   1     10  19   5    24     2.017    9658.692       14.7        8.9      8.102   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
     226   1     11  19   2    24     2.017    9658.692      114.0       69.0     62.926   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
-    227   1     13  14  11    24     2.017    9658.692      431.9      261.3    238.337   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    227   1     13  14  11    24     2.017    9658.692      431.9      261.3    238.341   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
     228   1     14  13  11    24     2.017    9658.692       14.6        8.8      8.036   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
-    229   1     14  17   1    24     2.017    9658.692      117.3       71.0     64.733   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
-    230   1     15  15   6    24     2.017    9658.692      136.3       82.4     75.185   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
-    231   1     17  14   1    24     2.017    9658.692      203.0      122.8    112.013   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
-    232   1     18   9   9    24     2.017    9658.692      123.8       74.9     68.310   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    229   1     14  17   1    24     2.017    9658.692      117.3       71.0     64.735   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    230   1     15  15   6    24     2.017    9658.692      136.3       82.4     75.186   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    231   1     17  14   1    24     2.017    9658.692      203.0      122.8    112.015   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    232   1     18   9   9    24     2.017    9658.692      123.8       74.9     68.312   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
     233   1     19  10   5    24     2.017    9658.692       53.2       32.2     29.382   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
-    234   1     19  11   2    24     2.017    9658.692       18.1       10.9      9.978   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
-    235   1     21   6   3    24     2.017    9658.692      152.1       92.0     83.928   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
-    236   1     22   1   1    24     2.017    9658.692      119.5       72.3     65.955   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
-    237   1     12  18   4    24     2.025    9678.627      361.9      588.8    286.667   2.025   0.000   0.000  0.465921  0.226004  0.212712  1.000000
-    238   1     14  12  12    24     2.025    9678.627      509.4      828.9    403.547   2.025   0.000   0.000  0.465921  0.226004  0.212712  1.000000
-    239   1     18  12   4    24     2.025    9678.627      339.1      551.7    268.628   2.025   0.000   0.000  0.465921  0.226004  0.212712  1.000000
-    240   1     22   0   0     6     2.025    9678.627       90.9      147.9     72.026   2.025   0.000   0.000  0.465921  0.226004  0.212712  1.000000
+    234   1     19  11   2    24     2.017    9658.692       18.1       10.9      9.979   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    235   1     21   6   3    24     2.017    9658.692      152.1       92.0     83.929   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    236   1     22   1   1    24     2.017    9658.692      119.5       72.3     65.956   2.017   0.000   0.000  0.464961  0.226490  0.214418  1.000000
+    237   1     12  18   4    24     2.025    9678.628      361.9      588.8    286.663   2.025   0.000   0.000  0.465921  0.226004  0.212712  1.000000
+    238   1     14  12  12    24     2.025    9678.628      509.4      828.9    403.543   2.025   0.000   0.000  0.465921  0.226004  0.212712  1.000000
+    239   1     18  12   4    24     2.025    9678.628      339.1      551.8    268.624   2.025   0.000   0.000  0.465921  0.226004  0.212712  1.000000
+    240   1     22   0   0     6     2.025    9678.628       90.9      147.9     72.025   2.025   0.000   0.000  0.465921  0.226004  0.212712  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    241   1      5  21   4    24     2.034    9698.688       44.9       36.4     36.942   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    241   1      5  21   4    24     2.034    9698.688       44.9       36.4     36.943   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
     242   1      9  20   1    24     2.034    9698.688       86.2       69.9     70.928   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
     243   1     11  19   0    12     2.034    9698.688       23.7       19.2     19.465   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
     244   1     12  17   7    24     2.034    9698.688       54.3       44.0     44.663   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
     245   1     13  13  12    24     2.034    9698.688      121.4       98.4     99.898   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
     246   1     15  16   1    24     2.034    9698.688        9.2        7.5      7.608   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
-    247   1     16  15   1    24     2.034    9698.688       79.3       64.3     65.267   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
-    248   1     17  12   7    24     2.034    9698.688      328.2      266.1    270.003   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
-    249   1     19  11   0    12     2.034    9698.688      453.3      367.5    372.917   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
-    250   1     20   9   1    24     2.034    9698.688       70.8       57.4     58.267   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    247   1     16  15   1    24     2.034    9698.688       79.3       64.3     65.268   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    248   1     17  12   7    24     2.034    9698.688      328.2      266.0    270.004   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    249   1     19  11   0    12     2.034    9698.688      453.3      367.4    372.917   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
+    250   1     20   9   1    24     2.034    9698.688       70.8       57.4     58.268   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
     251   1     21   5   4    24     2.034    9698.688       11.4        9.2      9.348   2.034   0.000   0.000  0.466886  0.225518  0.211013  1.000000
-    252   1      8  20   4    24     2.042    9718.872      365.7        0.0    444.100   2.042   0.000   0.000  0.467858  0.225030  0.209321  1.000000
-    253   1     20   8   4    24     2.042    9718.872      380.7        0.0    462.236   2.042   0.000   0.000  0.467858  0.225030  0.209321  1.000000
-    254   1      6  21   1    24     2.051    9739.184       43.0       19.5     57.476   2.051   0.000   0.000  0.468836  0.224541  0.207636  1.000000
-    255   1      9  19   6    24     2.051    9739.184      450.4      204.9    602.451   2.051   0.000   0.000  0.468836  0.224541  0.207636  1.000000
-    256   1     19   9   6    24     2.051    9739.184      425.2      193.4    568.750   2.051   0.000   0.000  0.468836  0.224541  0.207636  1.000000
-    257   1     21   6   1    24     2.051    9739.184      140.4       63.8    187.737   2.051   0.000   0.000  0.468836  0.224541  0.207636  1.000000
-    258   1      7  20   5    24     2.068    9780.190      284.9        0.0    241.145   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
-    259   1      8  19   7    24     2.068    9780.190      516.0        0.0    436.766   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
-    260   1     11  17   8    24     2.068    9780.190      128.8        0.0    109.013   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
-    261   1     13  16   7    24     2.068    9780.190      155.4        0.0    131.531   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
-    262   1     13  17   4    24     2.068    9780.190      153.6        0.0    129.975   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    252   1      8  20   4    24     2.042    9718.872      365.7        0.0    444.081   2.042   0.000   0.000  0.467858  0.225030  0.209321  1.000000
+    253   1     20   8   4    24     2.042    9718.872      380.7        0.0    462.220   2.042   0.000   0.000  0.467858  0.225030  0.209321  1.000000
+    254   1      6  21   1    24     2.051    9739.183       43.0       19.5     57.478   2.051   0.000   0.000  0.468836  0.224542  0.207636  1.000000
+    255   1      9  19   6    24     2.051    9739.183      450.4      204.9    602.466   2.051   0.000   0.000  0.468836  0.224542  0.207636  1.000000
+    256   1     19   9   6    24     2.051    9739.183      425.2      193.4    568.766   2.051   0.000   0.000  0.468836  0.224542  0.207636  1.000000
+    257   1     21   6   1    24     2.051    9739.183      140.4       63.8    187.743   2.051   0.000   0.000  0.468836  0.224542  0.207636  1.000000
+    258   1      7  20   5    24     2.068    9780.190      284.9        0.0    241.147   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    259   1      8  19   7    24     2.068    9780.190      516.0        0.0    436.770   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    260   1     11  17   8    24     2.068    9780.190      128.8        0.0    109.014   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    261   1     13  16   7    24     2.068    9780.190      155.4        0.0    131.533   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    262   1     13  17   4    24     2.068    9780.190      153.6        0.0    129.977   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
     263   1     16  13   7    24     2.068    9780.190       23.1        0.0     19.523   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
     264   1     17  11   8    24     2.068    9780.190       17.1        0.0     14.502   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
-    265   1     17  13   4    24     2.068    9780.190      112.2        0.0     94.992   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    265   1     17  13   4    24     2.068    9780.190      112.2        0.0     94.993   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
     266   1     19   8   7    24     2.068    9780.190       70.9        0.0     60.004   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
-    267   1     20   7   5    24     2.068    9780.190       66.1        0.0     55.940   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
-    268   1     12  18   2    24     2.077    9800.889      130.1        4.1    134.565   2.077   0.000   0.000  0.471806  0.223069  0.202623  1.000000
+    267   1     20   7   5    24     2.068    9780.190       66.1        0.0     55.941   2.068   0.000   0.000  0.470810  0.223561  0.204287  1.000000
+    268   1     12  18   2    24     2.077    9800.889      130.1        4.1    134.564   2.077   0.000   0.000  0.471806  0.223069  0.202623  1.000000
     269   1     18  12   2    24     2.077    9800.889      427.1       13.5    441.840   2.077   0.000   0.000  0.471806  0.223069  0.202623  1.000000
-    270   1     20   6   6    24     2.077    9800.889      341.1       10.8    352.896   2.077   0.000   0.000  0.471806  0.223069  0.202623  1.000000
+    270   1     20   6   6    24     2.077    9800.889      341.1       10.8    352.897   2.077   0.000   0.000  0.471806  0.223069  0.202623  1.000000
     271   1      5  21   2    24     2.086    9821.720       22.9       30.4     14.033   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
-    272   1     10  17   9    24     2.086    9821.720       25.2       33.4     15.427   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
-    273   1     10  19   3    24     2.086    9821.720      519.0      688.5    317.976   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
-    274   1     11  18   5    24     2.086    9821.720       99.6      132.1     61.024   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
-    275   1     14  15   7    24     2.086    9821.720      172.3      228.6    105.571   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
-    276   1     15  14   7    24     2.086    9821.720      683.9      907.2    418.964   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    272   1     10  17   9    24     2.086    9821.720       25.2       33.4     15.428   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    273   1     10  19   3    24     2.086    9821.720      519.0      688.5    317.980   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    274   1     11  18   5    24     2.086    9821.720       99.6      132.1     61.025   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    275   1     14  15   7    24     2.086    9821.720      172.3      228.6    105.572   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    276   1     15  14   7    24     2.086    9821.720      683.9      907.2    418.970   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
     277   1     17  10   9    24     2.086    9821.720       89.0      118.1     54.552   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
-    278   1     18  11   5    24     2.086    9821.720      215.0      285.2    131.703   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
-    279   1     19  10   3    24     2.086    9821.720      253.3      336.0    155.181   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
-    280   1     21   5   2    24     2.086    9821.720      135.7      180.0     83.131   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
-    281   1      8  20   2    24     2.094    9842.684       57.0      201.6     97.185   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
-    282   1     12  18   0    12     2.094    9842.684        0.3        1.0      0.495   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
-    283   1     14  16   4    24     2.094    9842.684      118.5      419.3    202.107   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
-    284   1     16  14   4    24     2.094    9842.684      216.0      764.2    368.309   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
-    285   1     18  12   0    12     2.094    9842.684      128.4      454.3    218.945   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
-    286   1     20   8   2    24     2.094    9842.684       68.5      242.2    116.720   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
-    287   1      4  21   3    24     2.103    9863.783       74.3        0.0    179.479   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
-    288   1      5  21   0    12     2.103    9863.783       15.2        0.0     36.680   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
-    289   1     15  15   4    24     2.103    9863.783      251.8        0.0    608.182   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
-    290   1     21   4   3    24     2.103    9863.783       11.5        0.0     27.728   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
-    291   1     21   5   0    12     2.103    9863.783       22.9        0.0     55.419   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
-    292   1      8  20   0    12     2.113    9885.019      297.2        0.0    472.738   2.113   0.000   0.000  0.475856  0.221092  0.196038  1.000000
-    293   1     12  16   8    24     2.113    9885.019      186.9        0.0    297.211   2.113   0.000   0.000  0.475856  0.221092  0.196038  1.000000
-    294   1     16  12   8    24     2.113    9885.019      125.0        0.0    198.818   2.113   0.000   0.000  0.475856  0.221092  0.196038  1.000000
-    295   1     20   8   0    12     2.113    9885.019       71.0        0.0    112.957   2.113   0.000   0.000  0.475856  0.221092  0.196038  1.000000
-    296   1     10  19   1    24     2.122    9906.392      329.0        0.0    420.333   2.122   0.000   0.000  0.476885  0.220595  0.194410  1.000000
-    297   1     13  17   2    24     2.122    9906.392      383.0        0.0    489.276   2.122   0.000   0.000  0.476885  0.220595  0.194410  1.000000
+    278   1     18  11   5    24     2.086    9821.720      215.0      285.2    131.704   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    279   1     19  10   3    24     2.086    9821.720      253.3      336.0    155.183   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    280   1     21   5   2    24     2.086    9821.720      135.7      180.0     83.132   2.086   0.000   0.000  0.472809  0.222577  0.200967  1.000000
+    281   1      8  20   2    24     2.094    9842.685       57.0      201.7     97.189   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
+    282   1     12  18   0    12     2.094    9842.685        0.3        1.0      0.495   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
+    283   1     14  16   4    24     2.094    9842.685      118.5      419.4    202.111   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
+    284   1     16  14   4    24     2.094    9842.685      216.0      764.2    368.320   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
+    285   1     18  12   0    12     2.094    9842.685      128.4      454.3    218.951   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
+    286   1     20   8   2    24     2.094    9842.685       68.5      242.2    116.721   2.094   0.000   0.000  0.473818  0.222083  0.199317  1.000000
+    287   1      4  21   3    24     2.103    9863.784       74.3        0.0    179.483   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
+    288   1      5  21   0    12     2.103    9863.784       15.2        0.0     36.680   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
+    289   1     15  15   4    24     2.103    9863.784      251.8        0.0    608.193   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
+    290   1     21   4   3    24     2.103    9863.784       11.5        0.0     27.729   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
+    291   1     21   5   0    12     2.103    9863.784       22.9        0.0     55.420   2.103   0.000   0.000  0.474834  0.221588  0.197674  1.000000
+    292   1      8  20   0    12     2.113    9885.018      297.2        0.0    472.758   2.113   0.000   0.000  0.475856  0.221092  0.196038  1.000000
+    293   1     12  16   8    24     2.113    9885.018      186.9        0.0    297.223   2.113   0.000   0.000  0.475856  0.221092  0.196038  1.000000
+    294   1     16  12   8    24     2.113    9885.018      125.0        0.0    198.829   2.113   0.000   0.000  0.475856  0.221092  0.196038  1.000000
+    295   1     20   8   0    12     2.113    9885.018       71.0        0.0    112.962   2.113   0.000   0.000  0.475856  0.221092  0.196038  1.000000
+    296   1     10  19   1    24     2.122    9906.392      329.0        0.0    420.338   2.122   0.000   0.000  0.476885  0.220595  0.194410  1.000000
+    297   1     13  17   2    24     2.122    9906.392      383.0        0.0    489.279   2.122   0.000   0.000  0.476885  0.220595  0.194410  1.000000
     298   1     17  13   2    24     2.122    9906.392       12.5        0.0     15.972   2.122   0.000   0.000  0.476885  0.220595  0.194410  1.000000
-    299   1     19  10   1    24     2.122    9906.392      227.2        0.0    290.273   2.122   0.000   0.000  0.476885  0.220595  0.194410  1.000000
-    300   1     10  18   6    24     2.131    9927.904        2.0       26.1     31.563   2.131   0.000   0.000  0.477921  0.220097  0.192788  1.000000
+    299   1     19  10   1    24     2.122    9906.392      227.2        0.0    290.275   2.122   0.000   0.000  0.476885  0.220595  0.194410  1.000000
+    300   1     10  18   6    24     2.131    9927.904        2.0       26.1     31.564   2.131   0.000   0.000  0.477921  0.220097  0.192788  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    301   1     18  10   6    24     2.131    9927.904        2.0       26.2     31.593   2.131   0.000   0.000  0.477921  0.220097  0.192788  1.000000
+    301   1     18  10   6    24     2.131    9927.904        2.0       26.2     31.591   2.131   0.000   0.000  0.477921  0.220097  0.192788  1.000000
     302   1      4  21   1    24     2.140    9949.557       89.3       68.0     59.902   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
     303   1      7  20   3    24     2.140    9949.557       53.8       41.0     36.084   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
-    304   1      9  19   4    24     2.140    9949.557      226.4      172.4    151.922   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    304   1      9  19   4    24     2.140    9949.557      226.4      172.4    151.924   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
     305   1     11  16   9    24     2.140    9949.557        5.2        3.9      3.477   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
     306   1     12  17   5    24     2.140    9949.557        0.1        0.1      0.099   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
     307   1     13  15   8    24     2.140    9949.557       79.2       60.3     53.147   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
     308   1     13  17   0    12     2.140    9949.557       20.0       15.2     13.403   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
-    309   1     15  13   8    24     2.140    9949.557       75.6       57.6     50.717   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
-    310   1     16  11   9    24     2.140    9949.557       11.4        8.7      7.633   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
-    311   1     17  12   5    24     2.140    9949.557      183.5      139.7    123.131   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
-    312   1     17  13   0    12     2.140    9949.557      153.8      117.2    103.232   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
-    313   1     19   9   4    24     2.140    9949.557      164.9      125.6    110.673   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
-    314   1     20   7   3    24     2.140    9949.557      220.4      167.9    147.951   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
-    315   1     21   4   1    24     2.140    9949.557      852.8      649.6    572.347   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
-    316   1     14  14   8    24     2.150    9971.352       36.8       92.4     36.595   2.150   0.000   0.000  0.480012  0.219097  0.189566  1.000000
-    317   1     14  16   2    24     2.150    9971.352      874.1     2196.9    870.185   2.150   0.000   0.000  0.480012  0.219097  0.189566  1.000000
-    318   1     16  10  10    24     2.150    9971.352       36.7       92.3     36.557   2.150   0.000   0.000  0.480012  0.219097  0.189566  1.000000
-    319   1     16  14   2    24     2.150    9971.352       96.2      241.7     95.738   2.150   0.000   0.000  0.480012  0.219097  0.189566  1.000000
-    320   1      3  21   2    24     2.159    9993.291      628.8      691.4    425.185   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
-    321   1      9  18   7    24     2.159    9993.291      417.8      459.4    282.517   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
-    322   1     11  18   3    24     2.159    9993.291      252.4      277.5    170.652   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
-    323   1     15  15   2    24     2.159    9993.291        1.6        1.7      1.059   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
-    324   1     18   9   7    24     2.159    9993.291       26.8       29.4     18.088   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
-    325   1     18  11   3    24     2.159    9993.291      331.3      364.3    224.042   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
-    326   1     21   3   2    24     2.159    9993.291      267.9      294.6    181.160   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
-    327   1      6  20   4    24     2.169   10015.375      236.5        0.0    262.276   2.169   0.000   0.000  0.482131  0.218093  0.186372  1.000000
-    328   1     14  16   0    12     2.169   10015.375      127.0        0.0    140.867   2.169   0.000   0.000  0.482131  0.218093  0.186372  1.000000
-    329   1     16  14   0    12     2.169   10015.375        7.4        0.0      8.231   2.169   0.000   0.000  0.482131  0.218093  0.186372  1.000000
-    330   1     18   8   8    24     2.169   10015.375      261.7        0.0    290.154   2.169   0.000   0.000  0.482131  0.218093  0.186372  1.000000
-    331   1     20   6   4    24     2.169   10015.375      121.7        0.0    134.986   2.169   0.000   0.000  0.482131  0.218093  0.186372  1.000000
-    332   1      3  21   0    12     2.178   10037.608       68.4       34.8     53.544   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
-    333   1      7  20   1    24     2.178   10037.608      620.2      315.7    485.648   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
-    334   1      8  19   5    24     2.178   10037.608      267.8      136.3    209.655   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
-    335   1     12  15   9    24     2.178   10037.608      107.3       54.6     84.032   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
-    336   1     13  16   5    24     2.178   10037.608       75.8       38.6     59.328   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
-    337   1     15  12   9    24     2.178   10037.608       23.3       11.9     18.252   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
-    338   1     15  15   0    12     2.178   10037.608      295.2      150.2    231.117   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
-    339   1     16  13   5    24     2.178   10037.608      125.3       63.8     98.095   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
-    340   1     19   8   5    24     2.178   10037.608      134.0       68.2    104.910   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
-    341   1     20   5   5    24     2.178   10037.608       45.1       23.0     35.336   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
-    342   1     20   7   1    24     2.178   10037.608       63.4       32.2     49.616   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
-    343   1     21   3   0    12     2.178   10037.608       70.5       35.9     55.176   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    309   1     15  13   8    24     2.140    9949.557       75.6       57.6     50.718   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    310   1     16  11   9    24     2.140    9949.557       11.4        8.7      7.634   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    311   1     17  12   5    24     2.140    9949.557      183.5      139.7    123.132   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    312   1     17  13   0    12     2.140    9949.557      153.8      117.2    103.233   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    313   1     19   9   4    24     2.140    9949.557      164.9      125.6    110.675   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    314   1     20   7   3    24     2.140    9949.557      220.4      167.9    147.952   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    315   1     21   4   1    24     2.140    9949.557      852.8      649.6    572.352   2.140   0.000   0.000  0.478963  0.219598  0.191173  1.000000
+    316   1     14  14   8    24     2.150    9971.353       36.8       92.4     36.597   2.150   0.000   0.000  0.480012  0.219097  0.189566  1.000000
+    317   1     14  16   2    24     2.150    9971.353      874.1     2196.9    870.241   2.150   0.000   0.000  0.480012  0.219097  0.189566  1.000000
+    318   1     16  10  10    24     2.150    9971.353       36.7       92.3     36.560   2.150   0.000   0.000  0.480012  0.219097  0.189566  1.000000
+    319   1     16  14   2    24     2.150    9971.353       96.2      241.7     95.744   2.150   0.000   0.000  0.480012  0.219097  0.189566  1.000000
+    320   1      3  21   2    24     2.159    9993.292      628.8      691.4    425.168   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
+    321   1      9  18   7    24     2.159    9993.292      417.8      459.4    282.505   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
+    322   1     11  18   3    24     2.159    9993.292      252.4      277.5    170.646   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
+    323   1     15  15   2    24     2.159    9993.292        1.6        1.7      1.059   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
+    324   1     18   9   7    24     2.159    9993.292       26.7       29.4     18.087   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
+    325   1     18  11   3    24     2.159    9993.292      331.3      364.3    224.033   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
+    326   1     21   3   2    24     2.159    9993.292      267.9      294.6    181.154   2.159   0.000   0.000  0.481068  0.218596  0.187965  1.000000
+    327   1      6  20   4    24     2.169   10015.376      236.5        0.0    262.268   2.169   0.000   0.000  0.482131  0.218094  0.186372  1.000000
+    328   1     14  16   0    12     2.169   10015.376      127.0        0.0    140.862   2.169   0.000   0.000  0.482131  0.218094  0.186372  1.000000
+    329   1     16  14   0    12     2.169   10015.376        7.4        0.0      8.231   2.169   0.000   0.000  0.482131  0.218094  0.186372  1.000000
+    330   1     18   8   8    24     2.169   10015.376      261.7        0.0    290.142   2.169   0.000   0.000  0.482131  0.218094  0.186372  1.000000
+    331   1     20   6   4    24     2.169   10015.376      121.7        0.0    134.980   2.169   0.000   0.000  0.482131  0.218094  0.186372  1.000000
+    332   1      3  21   0    12     2.178   10037.607       68.4       34.8     53.542   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    333   1      7  20   1    24     2.178   10037.607      620.2      315.6    485.638   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    334   1      8  19   5    24     2.178   10037.607      267.8      136.3    209.650   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    335   1     12  15   9    24     2.178   10037.607      107.3       54.6     84.031   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    336   1     13  16   5    24     2.178   10037.607       75.8       38.6     59.327   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    337   1     15  12   9    24     2.178   10037.607       23.3       11.9     18.252   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    338   1     15  15   0    12     2.178   10037.607      295.2      150.2    231.112   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    339   1     16  13   5    24     2.178   10037.607      125.3       63.8     98.093   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    340   1     19   8   5    24     2.178   10037.607      134.0       68.2    104.908   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    341   1     20   5   5    24     2.178   10037.607       45.1       23.0     35.336   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    342   1     20   7   1    24     2.178   10037.607       63.4       32.2     49.615   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
+    343   1     21   3   0    12     2.178   10037.607       70.5       35.9     55.175   2.178   0.000   0.000  0.483202  0.217590  0.184785  1.000000
     344   1      2  21   1    24     2.198   10082.520       58.6       55.1     21.018   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
-    345   1      7  19   6    24     2.198   10082.520      449.6      422.7    161.221   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
-    346   1      9  19   2    24     2.198   10082.520       50.1       47.1     17.970   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
-    347   1     11  15  10    24     2.198   10082.520      330.1      310.4    118.387   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
-    348   1     11  17   6    24     2.198   10082.520     1595.7     1500.3    572.240   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    345   1      7  19   6    24     2.198   10082.520      449.6      422.7    161.223   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    346   1      9  19   2    24     2.198   10082.520       50.1       47.1     17.971   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    347   1     11  15  10    24     2.198   10082.520      330.1      310.4    118.388   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    348   1     11  17   6    24     2.198   10082.520     1595.7     1500.3    572.246   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
     349   1     11  18   1    24     2.198   10082.520       88.3       83.0     31.652   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
-    350   1     13  14   9    24     2.198   10082.520      197.2      185.4     70.706   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    350   1     13  14   9    24     2.198   10082.520      197.2      185.4     70.707   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
     351   1     14  13   9    24     2.198   10082.520      171.6      161.4     61.548   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
     352   1     14  15   5    24     2.198   10082.520       53.8       50.6     19.296   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
-    353   1     15  11  10    24     2.198   10082.520      336.3      316.2    120.592   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
-    354   1     15  14   5    24     2.198   10082.520      589.2      554.0    211.308   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
-    355   1     17  11   6    24     2.198   10082.520      171.2      161.0     61.411   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    353   1     15  11  10    24     2.198   10082.520      336.3      316.2    120.594   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    354   1     15  14   5    24     2.198   10082.520      589.2      554.0    211.311   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    355   1     17  11   6    24     2.198   10082.520      171.2      161.0     61.412   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
     356   1     18  11   1    24     2.198   10082.520       75.9       71.4     27.227   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
-    357   1     19   7   6    24     2.198   10082.520      556.0      522.7    199.379   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
-    358   1     19   9   2    24     2.198   10082.520      905.2      851.1    324.621   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    357   1     19   7   6    24     2.198   10082.520      556.0      522.7    199.382   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
+    358   1     19   9   2    24     2.198   10082.520      905.2      851.1    324.626   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
     359   1     21   2   1    24     2.198   10082.520        0.5        0.5      0.196   2.198   0.000   0.000  0.485364  0.216579  0.181634  1.000000
-    360   1      1  21   0    12     2.218   10128.037      175.4      135.1    272.070   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
+    360   1      1  21   0    12     2.218   10128.039      175.4      135.1    272.085   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    361   1      9  19   0    12     2.218   10128.037       26.8       20.6     41.564   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
-    362   1     12  17   3    24     2.218   10128.037      312.6      240.7    484.916   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
-    363   1     17  12   3    24     2.218   10128.037       14.2       10.9     22.009   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
-    364   1     19   9   0    12     2.218   10128.037      196.8      151.6    305.329   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
-    365   1     21   1   0    12     2.218   10128.037       58.9       45.4     91.374   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
-    366   1      6  20   2    24     2.228   10151.030      331.4      321.9    198.866   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
-    367   1     10  18   4    24     2.228   10151.030       45.1       43.8     27.057   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
-    368   1     12  14  10    24     2.228   10151.030      244.2      237.2    146.546   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
+    361   1      9  19   0    12     2.218   10128.039       26.8       20.6     41.566   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
+    362   1     12  17   3    24     2.218   10128.039      312.6      240.7    484.944   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
+    363   1     17  12   3    24     2.218   10128.039       14.2       10.9     22.010   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
+    364   1     19   9   0    12     2.218   10128.039      196.8      151.6    305.347   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
+    365   1     21   1   0    12     2.218   10128.039       58.9       45.4     91.379   2.218   0.000   0.000  0.487555  0.215564  0.178510  1.000000
+    366   1      6  20   2    24     2.228   10151.030      331.4      321.9    198.864   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
+    367   1     10  18   4    24     2.228   10151.030       45.1       43.8     27.056   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
+    368   1     12  14  10    24     2.228   10151.030      244.2      237.2    146.545   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
     369   1     14  12  10    24     2.228   10151.030       81.2       78.9     48.740   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
-    370   1     18  10   4    24     2.228   10151.030      670.0      650.7    402.036   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
-    371   1     20   6   2    24     2.228   10151.030      595.2      578.1    357.142   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
-    372   1     10  17   7    24     2.238   10174.180      148.2      145.3    104.796   2.238   0.000   0.000  0.489776  0.214545  0.175414  1.000000
-    373   1     13  13  10    24     2.238   10174.180      155.4      152.4    109.936   2.238   0.000   0.000  0.489776  0.214545  0.175414  1.000000
-    374   1     14  11  11    24     2.238   10174.180      363.4      356.3    256.997   2.238   0.000   0.000  0.489776  0.214545  0.175414  1.000000
-    375   1     17  10   7    24     2.238   10174.180     1007.4      987.9    712.512   2.238   0.000   0.000  0.489776  0.214545  0.175414  1.000000
+    370   1     18  10   4    24     2.228   10151.030      670.0      650.7    402.034   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
+    371   1     20   6   2    24     2.228   10151.030      595.2      578.1    357.139   2.228   0.000   0.000  0.488662  0.215055  0.176959  1.000000
+    372   1     10  17   7    24     2.238   10174.181      148.2      145.3    104.796   2.238   0.000   0.000  0.489776  0.214545  0.175414  1.000000
+    373   1     13  13  10    24     2.238   10174.181      155.4      152.4    109.938   2.238   0.000   0.000  0.489776  0.214545  0.175414  1.000000
+    374   1     14  11  11    24     2.238   10174.181      363.4      356.3    257.001   2.238   0.000   0.000  0.489776  0.214545  0.175414  1.000000
+    375   1     17  10   7    24     2.238   10174.181     1007.4      987.9    712.520   2.238   0.000   0.000  0.489776  0.214545  0.175414  1.000000
     376   1      6  20   0    12     2.248   10197.489        0.1        0.3      0.088   2.248   0.000   0.000  0.490898  0.214033  0.173877  1.000000
-    377   1     12  16   6    24     2.248   10197.489      787.1     1893.5    666.730   2.248   0.000   0.000  0.490898  0.214033  0.173877  1.000000
-    378   1     16  12   6    24     2.248   10197.489      200.7      482.7    169.980   2.248   0.000   0.000  0.490898  0.214033  0.173877  1.000000
-    379   1     20   6   0    12     2.248   10197.489      228.2      549.0    193.299   2.248   0.000   0.000  0.490898  0.214033  0.173877  1.000000
+    377   1     12  16   6    24     2.248   10197.489      787.1     1893.4    666.720   2.248   0.000   0.000  0.490898  0.214033  0.173877  1.000000
+    378   1     16  12   6    24     2.248   10197.489      200.7      482.7    169.977   2.248   0.000   0.000  0.490898  0.214033  0.173877  1.000000
+    379   1     20   6   0    12     2.248   10197.489      228.2      548.9    193.296   2.248   0.000   0.000  0.490898  0.214033  0.173877  1.000000
     380   1      5  20   3    24     2.259   10220.958      412.3      599.2    177.352   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
     381   1      8  19   3    24     2.259   10220.958      259.6      377.3    111.670   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
     382   1      9  17   8    24     2.259   10220.958       48.7       70.8     20.964   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
     383   1     12  13  11    24     2.259   10220.958       57.1       83.0     24.560   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
-    384   1     12  17   1    24     2.259   10220.958      472.5      686.7    203.234   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    384   1     12  17   1    24     2.259   10220.958      472.5      686.7    203.235   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
     385   1     13  12  11    24     2.259   10220.958      388.3      564.3    167.019   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
     386   1     13  16   3    24     2.259   10220.958      323.9      470.8    139.348   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
     387   1     16  13   3    24     2.259   10220.958      760.1     1104.7    326.957   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
-    388   1     17   9   8    24     2.259   10220.958      149.2      216.8     64.170   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
-    389   1     17  12   1    24     2.259   10220.958      362.3      526.6    155.856   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    388   1     17   9   8    24     2.259   10220.958      149.2      216.8     64.171   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
+    389   1     17  12   1    24     2.259   10220.958      362.3      526.6    155.855   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
     390   1     19   8   3    24     2.259   10220.958        2.0        2.9      0.852   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
     391   1     20   5   3    24     2.259   10220.958      175.5      255.0     75.480   2.259   0.000   0.000  0.492028  0.213520  0.172347  1.000000
-    392   1     12  12  12     8     2.269   10244.591      420.6      485.6    380.494   2.269   0.000   0.000  0.493166  0.213006  0.170824  1.000000
-    393   1     20   4   4    24     2.269   10244.591      627.2      724.2    567.425   2.269   0.000   0.000  0.493166  0.213006  0.170824  1.000000
-    394   1      9  18   5    24     2.280   10268.387       49.7       23.6     26.291   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
-    395   1     13  15   6    24     2.280   10268.387      689.9      327.8    365.308   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
-    396   1     14  15   3    24     2.280   10268.387      466.5      221.7    247.037   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
-    397   1     15  13   6    24     2.280   10268.387      102.0       48.4     53.992   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
-    398   1     15  14   3    24     2.280   10268.387      115.1       54.7     60.925   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
-    399   1     18   9   5    24     2.280   10268.387     1055.5      501.5    558.916   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
-    400   1     10  18   2    24     2.290   10292.351      193.6      369.8    468.663   2.290   0.000   0.000  0.495465  0.211975  0.167799  1.000000
-    401   1     14  14   6    24     2.290   10292.351       46.5       88.9    112.662   2.290   0.000   0.000  0.495465  0.211975  0.167799  1.000000
+    392   1     12  12  12     8     2.269   10244.591      420.6      485.6    380.510   2.269   0.000   0.000  0.493166  0.213006  0.170824  1.000000
+    393   1     20   4   4    24     2.269   10244.591      627.2      724.2    567.448   2.269   0.000   0.000  0.493166  0.213006  0.170824  1.000000
+    394   1      9  18   5    24     2.280   10268.389       49.6       23.6     26.288   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
+    395   1     13  15   6    24     2.280   10268.389      689.8      327.8    365.280   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
+    396   1     14  15   3    24     2.280   10268.389      466.5      221.7    247.018   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
+    397   1     15  13   6    24     2.280   10268.389      102.0       48.4     53.988   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
+    398   1     15  14   3    24     2.280   10268.389      115.0       54.7     60.920   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
+    399   1     18   9   5    24     2.280   10268.389     1055.4      501.5    558.872   2.280   0.000   0.000  0.494311  0.212491  0.169308  1.000000
+    400   1     10  18   2    24     2.290   10292.351      193.6      369.9    468.665   2.290   0.000   0.000  0.495465  0.211975  0.167799  1.000000
+    401   1     14  14   6    24     2.290   10292.351       46.5       88.9    112.663   2.290   0.000   0.000  0.495465  0.211975  0.167799  1.000000
     402   1     18  10   2    24     2.290   10292.351       52.5      100.4    127.229   2.290   0.000   0.000  0.495465  0.211975  0.167799  1.000000
-    403   1      5  20   1    24     2.301   10316.482      578.9      810.3    296.196   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
-    404   1      7  19   4    24     2.301   10316.482       44.6       62.4     22.820   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
-    405   1      8  19   1    24     2.301   10316.482      374.0      523.6    191.378   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
-    406   1     11  16   7    24     2.301   10316.482       24.6       34.4     12.584   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
-    407   1     11  17   4    24     2.301   10316.482       93.4      130.8     47.812   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
-    408   1     13  16   1    24     2.301   10316.482      273.3      382.5    139.809   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
-    409   1     16  11   7    24     2.301   10316.482      256.3      358.7    131.130   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
-    410   1     16  13   1    24     2.301   10316.482      583.8      817.2    298.700   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
-    411   1     17  11   4    24     2.301   10316.482       64.3       89.9     32.874   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
-    412   1     19   7   4    24     2.301   10316.482       88.7      124.1     45.377   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
-    413   1     19   8   1    24     2.301   10316.482      155.5      217.7     79.564   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
-    414   1     20   5   1    24     2.301   10316.482      266.2      372.6    136.178   2.301   0.000   0.000  0.496626  0.211457  0.166297  1.000000
-    415   1      8  18   6    24     2.312   10340.785      103.2      285.0    189.752   2.312   0.000   0.000  0.497796  0.210939  0.164802  1.000000
-    416   1     10  18   0    12     2.312   10340.785      287.6      794.7    529.117   2.312   0.000   0.000  0.497796  0.210939  0.164802  1.000000
-    417   1     18   8   6    24     2.312   10340.785       60.8      168.1    111.898   2.312   0.000   0.000  0.497796  0.210939  0.164802  1.000000
-    418   1     18  10   0    12     2.312   10340.785       85.9      237.3    157.978   2.312   0.000   0.000  0.497796  0.210939  0.164802  1.000000
-    419   1      6  19   5    24     2.323   10365.262       56.0      187.7    126.720   2.323   0.000   0.000  0.498975  0.210419  0.163314  1.000000
-    420   1     14  15   1    24     2.323   10365.262       36.5      122.2     82.512   2.323   0.000   0.000  0.498975  0.210419  0.163314  1.000000
+    403   1      5  20   1    24     2.301   10316.484      578.9      810.3    296.205   2.301   0.000   0.000  0.496627  0.211457  0.166297  1.000000
+    404   1      7  19   4    24     2.301   10316.484       44.6       62.4     22.820   2.301   0.000   0.000  0.496627  0.211457  0.166297  1.000000
+    405   1      8  19   1    24     2.301   10316.484      374.1      523.6    191.384   2.301   0.000   0.000  0.496627  0.211457  0.166297  1.000000
+    406   1     11  16   7    24     2.301   10316.484       24.6       34.4     12.584   2.301   0.000   0.000  0.496627  0.211457  0.166297  1.000000
+    407   1     11  17   4    24     2.301   10316.484       93.5      130.8     47.814   2.301   0.000   0.000  0.496627  0.211457  0.166297  1.000000
+    408   1     13  16   1    24     2.301   10316.484      273.3      382.5    139.812   2.301   0.000   0.000  0.496627  0.211457  0.166297  1.000000
+    409   1     16  11   7    24     2.301   10316.484      256.3      358.8    131.134   2.301   0.000   0.000  0.496627  0.211457  0.166297  1.000000
+    410   1     16  13   1    24     2.301   10316.484      583.8      817.2    298.707   2.301   0.000   0.000  0.496627  0.211457  0.166297  1.000000
+    411   1     17  11   4    24     2.301   10316.484       64.3       89.9     32.875   2.301   0.000   0.000  0.496627  0.211457  0.166297  1.000000
+    412   1     19   7   4    24     2.301   10316.484       88.7      124.1     45.379   2.301   0.000   0.000  0.496627  0.211457  0.166297  1.000000
+    413   1     19   8   1    24     2.301   10316.484      155.5      217.7     79.566   2.301   0.000   0.000  0.496627  0.211457  0.166297  1.000000
+    414   1     20   5   1    24     2.301   10316.484      266.2      372.6    136.181   2.301   0.000   0.000  0.496627  0.211457  0.166297  1.000000
+    415   1      8  18   6    24     2.312   10340.785      103.2      285.0    189.743   2.312   0.000   0.000  0.497796  0.210939  0.164802  1.000000
+    416   1     10  18   0    12     2.312   10340.785      287.6      794.6    529.095   2.312   0.000   0.000  0.497796  0.210939  0.164802  1.000000
+    417   1     18   8   6    24     2.312   10340.785       60.8      168.0    111.893   2.312   0.000   0.000  0.497796  0.210939  0.164802  1.000000
+    418   1     18  10   0    12     2.312   10340.785       85.9      237.3    157.972   2.312   0.000   0.000  0.497796  0.210939  0.164802  1.000000
+    419   1      6  19   5    24     2.323   10365.262       56.0      187.7    126.717   2.323   0.000   0.000  0.498975  0.210419  0.163314  1.000000
+    420   1     14  15   1    24     2.323   10365.262       36.5      122.2     82.513   2.323   0.000   0.000  0.498975  0.210419  0.163314  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
     421   1     15  14   1    24     2.323   10365.262      271.0      907.4    612.710   2.323   0.000   0.000  0.498975  0.210419  0.163314  1.000000
-    422   1     18   7   7    24     2.323   10365.262       85.1      284.9    192.387   2.323   0.000   0.000  0.498975  0.210419  0.163314  1.000000
+    422   1     18   7   7    24     2.323   10365.262       85.1      284.9    192.386   2.323   0.000   0.000  0.498975  0.210419  0.163314  1.000000
     423   1     19   6   5    24     2.323   10365.262       42.5      142.4     96.151   2.323   0.000   0.000  0.498975  0.210419  0.163314  1.000000
-    424   1      4  20   2    24     2.334   10389.911      681.8      688.5    752.243   2.334   0.000   0.000  0.500161  0.209897  0.161833  1.000000
-    425   1     10  16   8    24     2.334   10389.911      203.0      205.0    223.978   2.334   0.000   0.000  0.500161  0.209897  0.161833  1.000000
+    424   1      4  20   2    24     2.334   10389.911      681.8      688.5    752.245   2.334   0.000   0.000  0.500161  0.209897  0.161833  1.000000
+    425   1     10  16   8    24     2.334   10389.911      203.0      205.0    223.977   2.334   0.000   0.000  0.500161  0.209897  0.161833  1.000000
     426   1     16  10   8    24     2.334   10389.911       70.0       70.7     77.275   2.334   0.000   0.000  0.500161  0.209897  0.161833  1.000000
     427   1     20   4   2    24     2.334   10389.911       58.6       59.1     64.605   2.334   0.000   0.000  0.500161  0.209897  0.161833  1.000000
     428   1     12  15   7    24     2.345   10414.737       72.7      110.1     66.268   2.345   0.000   0.000  0.501356  0.209375  0.160359  1.000000
-    429   1     15  12   7    24     2.345   10414.737      113.7      172.1    103.570   2.345   0.000   0.000  0.501356  0.209375  0.160359  1.000000
+    429   1     15  12   7    24     2.345   10414.737      113.7      172.1    103.569   2.345   0.000   0.000  0.501356  0.209375  0.160359  1.000000
     430   1     16   9   9    24     2.345   10414.737       21.1       31.9     19.192   2.345   0.000   0.000  0.501356  0.209375  0.160359  1.000000
-    431   1     20   3   3    24     2.345   10414.737     1058.6     1602.7    964.407   2.345   0.000   0.000  0.501356  0.209375  0.160359  1.000000
+    431   1     20   3   3    24     2.345   10414.737     1058.6     1602.7    964.406   2.345   0.000   0.000  0.501356  0.209375  0.160359  1.000000
     432   1      4  20   0    12     2.356   10439.743       44.3       21.8     25.816   2.356   0.000   0.000  0.502560  0.208851  0.158892  1.000000
-    433   1     12  16   4    24     2.356   10439.743      916.3      451.7    534.314   2.356   0.000   0.000  0.502560  0.208851  0.158892  1.000000
+    433   1     12  16   4    24     2.356   10439.743      916.3      451.7    534.313   2.356   0.000   0.000  0.502560  0.208851  0.158892  1.000000
     434   1     16  12   4    24     2.356   10439.743      852.5      420.3    497.111   2.356   0.000   0.000  0.502560  0.208851  0.158892  1.000000
     435   1     20   4   0    12     2.356   10439.743      206.4      101.8    120.361   2.356   0.000   0.000  0.502560  0.208851  0.158892  1.000000
     436   1      7  19   2    24     2.368   10464.930      162.0       98.6     69.942   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
     437   1      9  18   3    24     2.368   10464.930      213.7      130.0     92.230   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
     438   1     10  17   5    24     2.368   10464.930       80.2       48.8     34.618   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
-    439   1     11  17   2    24     2.368   10464.930      317.2      193.1    136.938   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
-    440   1     13  14   7    24     2.368   10464.930     1352.9      823.4    584.006   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    439   1     11  17   2    24     2.368   10464.930      317.2      193.1    136.937   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    440   1     13  14   7    24     2.368   10464.930     1352.9      823.4    584.008   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
     441   1     14  13   7    24     2.368   10464.930      152.2       92.6     65.707   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
-    442   1     17  10   5    24     2.368   10464.930      730.1      444.4    315.173   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
-    443   1     17  11   2    24     2.368   10464.930      103.4       62.9     44.620   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
-    444   1     18   9   3    24     2.368   10464.930       49.8       30.3     21.497   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    442   1     17  10   5    24     2.368   10464.930      730.1      444.4    315.171   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    443   1     17  11   2    24     2.368   10464.930      103.4       62.9     44.619   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
+    444   1     18   9   3    24     2.368   10464.930       49.8       30.3     21.496   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
     445   1     19   7   2    24     2.368   10464.930      478.1      291.0    206.372   2.368   0.000   0.000  0.503773  0.208326  0.157432  1.000000
     446   1      3  20   1    24     2.391   10515.854      371.2      452.4    163.380   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
-    447   1      7  19   0    12     2.391   10515.854      146.3      178.3     64.393   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
+    447   1      7  19   0    12     2.391   10515.854      146.3      178.3     64.394   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
     448   1     11  15   8    24     2.391   10515.854      511.8      623.8    225.280   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
     449   1     11  17   0    12     2.391   10515.854       56.8       69.2     25.008   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
     450   1     13  15   4    24     2.391   10515.854      166.1      202.4     73.090   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
-    451   1     15  11   8    24     2.391   10515.854      782.3      953.5    344.324   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
-    452   1     15  13   4    24     2.391   10515.854      858.5     1046.3    377.856   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
+    451   1     15  11   8    24     2.391   10515.854      782.3      953.5    344.323   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
+    452   1     15  13   4    24     2.391   10515.854      858.4     1046.3    377.855   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
     453   1     17  11   0    12     2.391   10515.854        1.3        1.6      0.594   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
     454   1     19   7   0    12     2.391   10515.854       18.9       23.0      8.308   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
     455   1     20   3   1    24     2.391   10515.854      699.7      852.8    307.975   2.391   0.000   0.000  0.506224  0.207272  0.154534  1.000000
-    456   1     14  14   4    24     2.402   10541.596      786.0     1998.0    747.935   2.402   0.000   0.000  0.507463  0.206744  0.153095  1.000000
+    456   1     14  14   4    24     2.402   10541.596      786.0     1998.0    747.936   2.402   0.000   0.000  0.507463  0.206744  0.153095  1.000000
     457   1     20   2   2    24     2.402   10541.596      302.5      769.1    287.892   2.402   0.000   0.000  0.507463  0.206744  0.153095  1.000000
     458   1      6  19   3    24     2.414   10567.529      118.1      123.3     38.285   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
-    459   1      9  17   6    24     2.414   10567.529      227.1      237.1     73.615   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
-    460   1      9  18   1    24     2.414   10567.529      566.4      591.4    183.624   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
-    461   1     10  15   9    24     2.414   10567.529      945.2      986.9    306.440   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
-    462   1     15  10   9    24     2.414   10567.529      497.2      519.2    161.198   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
-    463   1     17   9   6    24     2.414   10567.529     1018.5     1063.5    330.219   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
-    464   1     18   9   1    24     2.414   10567.529      105.4      110.1     34.179   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
-    465   1     19   6   3    24     2.414   10567.529     1224.4     1278.5    396.960   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
-    466   1      2  20   0    12     2.426   10593.653       74.7      122.1     45.800   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
-    467   1      8  18   4    24     2.426   10593.653      115.6      188.8     70.853   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
-    468   1     12  14   8    24     2.426   10593.653      102.6      167.6     62.892   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
-    469   1     12  16   2    24     2.426   10593.653      361.6      590.9    221.687   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
-    470   1     14  12   8    24     2.426   10593.653      341.2      557.5    209.187   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
-    471   1     16  12   2    24     2.426   10593.653      372.0      607.8    228.058   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
-    472   1     18   8   4    24     2.426   10593.653      462.3      755.3    283.389   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
-    473   1     20   2   0    12     2.426   10593.653       39.6       64.7     24.276   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
-    474   1      5  19   4    24     2.438   10619.974      357.7      854.4    259.958   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
-    475   1      8  17   7    24     2.438   10619.974      120.5      287.9     87.583   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
-    476   1     11  16   5    24     2.438   10619.974      183.5      438.3    133.341   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
+    459   1      9  17   6    24     2.414   10567.529      227.1      237.1     73.617   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    460   1      9  18   1    24     2.414   10567.529      566.4      591.4    183.627   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    461   1     10  15   9    24     2.414   10567.529      945.2      987.0    306.447   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    462   1     15  10   9    24     2.414   10567.529      497.2      519.2    161.202   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    463   1     17   9   6    24     2.414   10567.529     1018.5     1063.5    330.226   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    464   1     18   9   1    24     2.414   10567.529      105.4      110.1     34.180   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    465   1     19   6   3    24     2.414   10567.529     1224.4     1278.5    396.966   2.414   0.000   0.000  0.508712  0.206213  0.151663  1.000000
+    466   1      2  20   0    12     2.426   10593.655       74.7      122.1     45.804   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    467   1      8  18   4    24     2.426   10593.655      115.6      188.8     70.859   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    468   1     12  14   8    24     2.426   10593.655      102.6      167.6     62.897   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    469   1     12  16   2    24     2.426   10593.655      361.6      590.9    221.707   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    470   1     14  12   8    24     2.426   10593.655      341.2      557.6    209.203   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    471   1     16  12   2    24     2.426   10593.655      372.0      607.9    228.077   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    472   1     18   8   4    24     2.426   10593.655      462.3      755.3    283.412   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    473   1     20   2   0    12     2.426   10593.655       39.6       64.7     24.278   2.426   0.000   0.000  0.509969  0.205682  0.150239  1.000000
+    474   1      5  19   4    24     2.438   10619.974      357.7      854.4    259.953   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
+    475   1      8  17   7    24     2.438   10619.974      120.5      287.9     87.580   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
+    476   1     11  16   5    24     2.438   10619.974      183.5      438.3    133.338   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
     477   1     13  13   8    24     2.438   10619.974       88.5      211.4     64.320   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
-    478   1     16  11   5    24     2.438   10619.974      640.9     1530.9    465.783   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
+    478   1     16  11   5    24     2.438   10619.974      640.9     1530.9    465.773   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
     479   1     17   8   7    24     2.438   10619.974       24.9       59.5     18.112   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
-    480   1     19   5   4    24     2.438   10619.974      212.6      507.9    154.522   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
+    480   1     19   5   4    24     2.438   10619.974      212.6      507.9    154.520   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    481   1     20   1   1    24     2.438   10619.974      262.9      627.9    191.030   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
+    481   1     20   1   1    24     2.438   10619.974      262.9      627.9    191.027   2.438   0.000   0.000  0.511236  0.205149  0.148821  1.000000
     482   1     12  16   0    12     2.451   10646.490       50.7      358.2    160.837   2.451   0.000   0.000  0.512513  0.204615  0.147410  1.000000
-    483   1     16  12   0    12     2.451   10646.490       71.9      508.2    228.194   2.451   0.000   0.000  0.512513  0.204615  0.147410  1.000000
-    484   1     20   0   0     6     2.451   10646.490       96.4      680.8    305.703   2.451   0.000   0.000  0.512513  0.204615  0.147410  1.000000
-    485   1      6  19   1    24     2.463   10673.206      322.6      450.0    149.837   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    483   1     16  12   0    12     2.451   10646.490       71.9      508.2    228.193   2.451   0.000   0.000  0.512513  0.204615  0.147410  1.000000
+    484   1     20   0   0     6     2.451   10646.490       96.4      680.8    305.702   2.451   0.000   0.000  0.512513  0.204615  0.147410  1.000000
+    485   1      6  19   1    24     2.463   10673.206      322.6      450.0    149.838   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
     486   1      7  18   5    24     2.463   10673.206      354.6      494.7    164.700   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
     487   1     10  17   3    24     2.463   10673.206      114.2      159.3     53.023   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
-    488   1     11  14   9    24     2.463   10673.206      147.5      205.8     68.529   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    488   1     11  14   9    24     2.463   10673.206      147.5      205.8     68.530   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
     489   1     13  15   2    24     2.463   10673.206        3.8        5.3      1.753   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
-    490   1     14  11   9    24     2.463   10673.206      565.3      788.6    262.564   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
-    491   1     15  13   2    24     2.463   10673.206      337.0      470.1    156.525   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
-    492   1     17  10   3    24     2.463   10673.206     1077.3     1502.8    500.365   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
-    493   1     18   7   5    24     2.463   10673.206       75.4      105.2     35.020   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    490   1     14  11   9    24     2.463   10673.206      565.3      788.6    262.563   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    491   1     15  13   2    24     2.463   10673.206      337.0      470.1    156.526   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    492   1     17  10   3    24     2.463   10673.206     1077.3     1502.8    500.364   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
+    493   1     18   7   5    24     2.463   10673.206       75.4      105.2     35.021   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
     494   1     19   6   1    24     2.463   10673.206      135.0      188.3     62.687   2.463   0.000   0.000  0.513799  0.204080  0.146007  1.000000
     495   1     14  10  10    24     2.475   10700.126      210.5      292.8    143.156   2.475   0.000   0.000  0.515095  0.203543  0.144610  1.000000
     496   1     14  14   2    24     2.475   10700.126      267.9      372.6    182.187   2.475   0.000   0.000  0.515095  0.203543  0.144610  1.000000
-    497   1     18   6   6    24     2.475   10700.126     1238.7     1722.7    842.405   2.475   0.000   0.000  0.515095  0.203543  0.144610  1.000000
+    497   1     18   6   6    24     2.475   10700.126     1238.7     1722.7    842.404   2.475   0.000   0.000  0.515095  0.203543  0.144610  1.000000
     498   1     12  13   9    24     2.488   10727.249      109.4      346.6    114.023   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
-    499   1     12  15   5    24     2.488   10727.249       10.5       33.2     10.915   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
+    499   1     12  15   5    24     2.488   10727.249       10.5       33.2     10.916   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
     500   1     13  12   9    24     2.488   10727.249      739.2     2341.3    770.231   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
-    501   1     13  15   0    12     2.488   10727.249      189.9      601.6    197.895   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
-    502   1     15  12   5    24     2.488   10727.249       57.4      181.9     59.855   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
+    501   1     13  15   0    12     2.488   10727.249      189.9      601.6    197.896   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
+    502   1     15  12   5    24     2.488   10727.249       57.4      181.9     59.854   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
     503   1     15  13   0    12     2.488   10727.249        2.4        7.5      2.475   2.488   0.000   0.000  0.516400  0.203005  0.143221  1.000000
     504   1      8  18   2    24     2.501   10754.579      781.1     1146.8    301.038   2.501   0.000   0.000  0.517716  0.202466  0.141839  1.000000
     505   1     10  16   6    24     2.501   10754.579     1154.0     1694.1    444.717   2.501   0.000   0.000  0.517716  0.202466  0.141839  1.000000
     506   1     14  14   0    12     2.501   10754.579       33.1       48.5     12.742   2.501   0.000   0.000  0.517716  0.202466  0.141839  1.000000
-    507   1     16  10   6    24     2.501   10754.579      893.8     1312.1    344.444   2.501   0.000   0.000  0.517716  0.202466  0.141839  1.000000
+    507   1     16  10   6    24     2.501   10754.579      893.8     1312.1    344.446   2.501   0.000   0.000  0.517716  0.202466  0.141839  1.000000
     508   1     18   8   2    24     2.501   10754.579      922.3     1354.0    355.452   2.501   0.000   0.000  0.517716  0.202466  0.141839  1.000000
     509   1      5  19   2    24     2.513   10782.120       66.6      139.7     29.773   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
     510   1     10  17   1    24     2.513   10782.120      760.3     1593.9    339.786   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
@@ -1720,722 +1124,722 @@
     513   1     13  14   5    24     2.513   10782.120       34.4       72.0     15.358   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
     514   1     14  13   5    24     2.513   10782.120      921.3     1931.4    411.736   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
     515   1     17  10   1    24     2.513   10782.120      197.7      414.5     88.359   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
-    516   1     19   5   2    24     2.513   10782.120      744.3     1560.3    332.624   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
-    517   1      8  18   0    12     2.526   10809.874     1830.8     4223.2   1072.694   2.526   0.000   0.000  0.520378  0.201382  0.139095  1.000000
-    518   1     12  12  10    24     2.526   10809.874      508.5     1173.1    297.963   2.526   0.000   0.000  0.520378  0.201382  0.139095  1.000000
+    516   1     19   5   2    24     2.513   10782.120      744.3     1560.3    332.623   2.513   0.000   0.000  0.519042  0.201925  0.140463  1.000000
+    517   1      8  18   0    12     2.526   10809.874     1830.8     4223.2   1072.693   2.526   0.000   0.000  0.520378  0.201382  0.139095  1.000000
+    518   1     12  12  10    24     2.526   10809.874      508.5     1173.1    297.964   2.526   0.000   0.000  0.520378  0.201382  0.139095  1.000000
     519   1     18   8   0    12     2.526   10809.874        4.0        9.3      2.361   2.526   0.000   0.000  0.520378  0.201382  0.139095  1.000000
     520   1      4  19   3    24     2.539   10837.842       54.5      149.5     47.572   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
-    521   1      5  19   0    12     2.539   10837.842       78.7      215.8     68.657   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
-    522   1      9  16   7    24     2.539   10837.842       70.5      193.3     61.507   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
-    523   1      9  17   4    24     2.539   10837.842      614.6     1685.5    536.313   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
-    524   1     11  16   3    24     2.539   10837.842      401.6     1101.4    350.458   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    521   1      5  19   0    12     2.539   10837.842       78.7      215.8     68.658   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    522   1      9  16   7    24     2.539   10837.842       70.5      193.3     61.509   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    523   1      9  17   4    24     2.539   10837.842      614.6     1685.6    536.321   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    524   1     11  16   3    24     2.539   10837.842      401.6     1101.4    350.464   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
     525   1     12  11  11    24     2.539   10837.842       41.8      114.7     36.502   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
-    526   1     16   9   7    24     2.539   10837.842       94.2      258.3     82.203   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    526   1     16   9   7    24     2.539   10837.842       94.2      258.4     82.204   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
     527   1     16  11   3    24     2.539   10837.842       12.2       33.4     10.634   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
-    528   1     17   9   4    24     2.539   10837.842      205.1      562.4    178.961   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    528   1     17   9   4    24     2.539   10837.842      205.1      562.5    178.965   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
     529   1     19   4   3    24     2.539   10837.842       30.5       83.7     26.640   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
-    530   1     19   5   0    12     2.539   10837.842       88.8      243.6     77.510   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
-    531   1     16   8   8    24     2.553   10866.028      148.1      929.0    729.402   2.553   0.000   0.000  0.523081  0.200294  0.136379  1.000000
-    532   1      7  18   3    24     2.566   10894.438      964.0     4004.5   1289.735   2.566   0.000   0.000  0.524449  0.199747  0.135032  1.000000
+    530   1     19   5   0    12     2.539   10837.842       88.8      243.6     77.512   2.539   0.000   0.000  0.521724  0.200839  0.137733  1.000000
+    531   1     16   8   8    24     2.553   10866.030      148.0      928.9    729.341   2.553   0.000   0.000  0.523081  0.200294  0.136379  1.000000
+    532   1      7  18   3    24     2.566   10894.438      964.0     4004.5   1289.727   2.566   0.000   0.000  0.524449  0.199747  0.135032  1.000000
     533   1     11  15   6    24     2.566   10894.438       17.9       74.3     23.934   2.566   0.000   0.000  0.524449  0.199747  0.135032  1.000000
     534   1     15  11   6    24     2.566   10894.438       13.8       57.1     18.399   2.566   0.000   0.000  0.524449  0.199747  0.135032  1.000000
-    535   1     18   7   3    24     2.566   10894.438      303.7     1261.8    406.397   2.566   0.000   0.000  0.524449  0.199747  0.135032  1.000000
+    535   1     18   7   3    24     2.566   10894.438      303.7     1261.8    406.393   2.566   0.000   0.000  0.524449  0.199747  0.135032  1.000000
     536   1      4  19   1    24     2.593   10951.928      755.7      763.9    286.682   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
-    537   1      8  17   5    24     2.593   10951.928      837.2      846.3    317.625   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
+    537   1      8  17   5    24     2.593   10951.928      837.2      846.3    317.624   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
     538   1     11  16   1    24     2.593   10951.928      202.1      204.3     76.686   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
     539   1     12  15   3    24     2.593   10951.928       84.5       85.4     32.055   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
-    540   1     15  12   3    24     2.593   10951.928      428.3      433.0    162.494   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
+    540   1     15  12   3    24     2.593   10951.928      428.3      433.0    162.495   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    541   1     16  11   1    24     2.593   10951.928      834.7      843.8    316.685   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
-    542   1     17   8   5    24     2.593   10951.928      502.9      508.4    190.799   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
-    543   1     19   4   1    24     2.593   10951.928      544.2      550.1    206.440   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
-    544   1      6  18   4    24     2.607   10981.017     1098.0     1681.7    477.903   2.607   0.000   0.000  0.528617  0.198099  0.131032  1.000000
+    541   1     16  11   1    24     2.593   10951.928      834.7      843.8    316.684   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
+    542   1     17   8   5    24     2.593   10951.928      502.9      508.4    190.798   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
+    543   1     19   4   1    24     2.593   10951.928      544.2      550.1    206.441   2.593   0.000   0.000  0.527216  0.198650  0.132358  1.000000
+    544   1      6  18   4    24     2.607   10981.017     1098.0     1681.7    477.895   2.607   0.000   0.000  0.528617  0.198099  0.131032  1.000000
     545   1     12  14   6    24     2.607   10981.017       75.3      115.3     32.771   2.607   0.000   0.000  0.528617  0.198099  0.131032  1.000000
-    546   1     14  12   6    24     2.607   10981.017     1179.4     1806.5    513.355   2.607   0.000   0.000  0.528617  0.198099  0.131032  1.000000
-    547   1     18   6   4    24     2.607   10981.017      237.4      363.6    103.339   2.607   0.000   0.000  0.528617  0.198099  0.131032  1.000000
-    548   1      3  19   2    24     2.621   11010.339      132.5      171.4     26.647   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
-    549   1      7  17   6    24     2.621   11010.339     2220.1     2871.2    446.463   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
-    550   1      7  18   1    24     2.621   11010.339      121.0      156.5     24.337   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
-    551   1      9  17   2    24     2.621   11010.339      171.7      222.0     34.521   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
-    552   1     10  15   7    24     2.621   11010.339      799.3     1033.7    160.734   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
-    553   1     13  13   6    24     2.621   11010.339      183.1      236.8     36.828   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
-    554   1     13  14   3    24     2.621   11010.339     1070.5     1384.4    215.271   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
-    555   1     14  13   3    24     2.621   11010.339      421.4      544.9     84.736   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
-    556   1     15  10   7    24     2.621   11010.339      842.3     1089.3    169.379   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
-    557   1     17   7   6    24     2.621   11010.339      221.5      286.5     44.544   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
-    558   1     17   9   2    24     2.621   11010.339        5.8        7.5      1.169   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
-    559   1     18   5   5    24     2.621   11010.339      151.2      195.5     30.401   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
-    560   1     18   7   1    24     2.621   11010.339      448.4      579.9     90.181   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
-    561   1     19   3   2    24     2.621   11010.339     1841.7     2381.7    370.357   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
-    562   1     10  16   4    24     2.635   11039.896      206.0      709.2    216.324   2.635   0.000   0.000  0.531451  0.196993  0.128401  1.000000
-    563   1     16  10   4    24     2.635   11039.896      743.3     2559.1    780.616   2.635   0.000   0.000  0.531451  0.196993  0.128401  1.000000
-    564   1      3  19   0    12     2.649   11069.693      128.3      302.8    133.678   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
-    565   1      9  15   8    24     2.649   11069.693      300.5      709.2    313.113   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
-    566   1      9  17   0    12     2.649   11069.693      101.8      240.2    106.027   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
-    567   1     12  15   1    24     2.649   11069.693      119.2      281.4    124.224   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
-    568   1     15   9   8    24     2.649   11069.693      747.8     1765.1    779.261   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
-    569   1     15  12   1    24     2.649   11069.693      190.9      450.6    198.947   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
-    570   1     17   9   0    12     2.649   11069.693        7.7       18.2      8.054   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
-    571   1     19   3   0    12     2.649   11069.693        5.0       11.7      5.164   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
-    572   1      2  19   1    24     2.678   11130.020      360.5      787.8    161.220   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
-    573   1     11  14   7    24     2.678   11130.020      928.1     2027.8    414.992   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
-    574   1     13  14   1    24     2.678   11130.020      981.1     2143.6    438.685   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
+    546   1     14  12   6    24     2.607   10981.017     1179.4     1806.4    513.348   2.607   0.000   0.000  0.528617  0.198099  0.131032  1.000000
+    547   1     18   6   4    24     2.607   10981.017      237.4      363.6    103.337   2.607   0.000   0.000  0.528617  0.198099  0.131032  1.000000
+    548   1      3  19   2    24     2.621   11010.338      132.5      171.4     26.646   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    549   1      7  17   6    24     2.621   11010.338     2220.0     2871.1    446.450   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    550   1      7  18   1    24     2.621   11010.338      121.0      156.5     24.336   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    551   1      9  17   2    24     2.621   11010.338      171.7      222.0     34.520   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    552   1     10  15   7    24     2.621   11010.338      799.2     1033.7    160.729   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    553   1     13  13   6    24     2.621   11010.338      183.1      236.8     36.827   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    554   1     13  14   3    24     2.621   11010.338     1070.4     1384.4    215.264   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    555   1     14  13   3    24     2.621   11010.338      421.3      544.9     84.733   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    556   1     15  10   7    24     2.621   11010.338      842.2     1089.3    169.373   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    557   1     17   7   6    24     2.621   11010.338      221.5      286.5     44.543   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    558   1     17   9   2    24     2.621   11010.338        5.8        7.5      1.169   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    559   1     18   5   5    24     2.621   11010.338      151.2      195.5     30.400   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    560   1     18   7   1    24     2.621   11010.338      448.4      579.9     90.178   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    561   1     19   3   2    24     2.621   11010.338     1841.6     2381.7    370.345   2.621   0.000   0.000  0.530028  0.197547  0.129713  1.000000
+    562   1     10  16   4    24     2.635   11039.896      206.0      709.2    216.335   2.635   0.000   0.000  0.531451  0.196993  0.128401  1.000000
+    563   1     16  10   4    24     2.635   11039.896      743.3     2559.2    780.646   2.635   0.000   0.000  0.531451  0.196993  0.128401  1.000000
+    564   1      3  19   0    12     2.649   11069.694      128.3      302.8    133.675   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    565   1      9  15   8    24     2.649   11069.694      300.5      709.2    313.109   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    566   1      9  17   0    12     2.649   11069.694      101.7      240.2    106.025   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    567   1     12  15   1    24     2.649   11069.694      119.2      281.4    124.221   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    568   1     15   9   8    24     2.649   11069.694      747.8     1765.1    779.247   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    569   1     15  12   1    24     2.649   11069.694      190.9      450.6    198.944   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    570   1     17   9   0    12     2.649   11069.694        7.7       18.2      8.054   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    571   1     19   3   0    12     2.649   11069.694        5.0       11.7      5.164   2.649   0.000   0.000  0.532885  0.196438  0.127096  1.000000
+    572   1      2  19   1    24     2.678   11130.020      360.5      787.8    161.219   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
+    573   1     11  14   7    24     2.678   11130.020      928.1     2027.8    414.991   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
+    574   1     13  14   1    24     2.678   11130.020      981.1     2143.6    438.682   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
     575   1     14  11   7    24     2.678   11130.020      356.3      778.4    159.303   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
-    576   1     14  13   1    24     2.678   11130.020     1185.8     2591.0    530.243   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
-    577   1     19   2   1    24     2.678   11130.020      223.1      487.4     99.757   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
-    578   1      6  18   2    24     2.693   11160.555      295.2     1370.0    521.982   2.693   0.000   0.000  0.537259  0.194763  0.123223  1.000000
-    579   1     18   6   2    24     2.693   11160.555      217.6     1010.0    384.834   2.693   0.000   0.000  0.537259  0.194763  0.123223  1.000000
+    576   1     14  13   1    24     2.678   11130.020     1185.8     2591.0    530.242   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
+    577   1     19   2   1    24     2.678   11130.020      223.1      487.4     99.756   2.678   0.000   0.000  0.535789  0.195323  0.124507  1.000000
+    578   1      6  18   2    24     2.693   11160.555      295.2     1370.0    521.986   2.693   0.000   0.000  0.537259  0.194763  0.123223  1.000000
+    579   1     18   6   2    24     2.693   11160.555      217.6     1010.0    384.831   2.693   0.000   0.000  0.537259  0.194763  0.123223  1.000000
     580   1      1  19   0    12     2.708   11191.343       32.9       51.8     21.758   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
     581   1      8  17   3    24     2.708   11191.343      374.0      589.5    247.398   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
     582   1      9  16   5    24     2.708   11191.343       52.0       81.9     34.373   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
     583   1     11  15   4    24     2.708   11191.343       31.8       50.1     21.038   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
-    584   1     12  13   7    24     2.708   11191.343      408.6      644.0    270.278   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
-    585   1     13  12   7    24     2.708   11191.343      309.8      488.3    204.921   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
+    584   1     12  13   7    24     2.708   11191.343      408.6      644.0    270.279   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
+    585   1     13  12   7    24     2.708   11191.343      309.8      488.3    204.922   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
     586   1     15  11   4    24     2.708   11191.343       18.9       29.8     12.508   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
-    587   1     16   9   5    24     2.708   11191.343      197.7      311.7    130.802   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
+    587   1     16   9   5    24     2.708   11191.343      197.7      311.7    130.800   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
     588   1     17   8   3    24     2.708   11191.343      261.7      412.5    173.131   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
     589   1     19   1   0    12     2.708   11191.343      341.8      538.8    226.122   2.708   0.000   0.000  0.538741  0.194202  0.121946  1.000000
     590   1      6  18   0    12     2.723   11222.387        0.0        0.0      0.000   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
     591   1     10  14   8    24     2.723   11222.387      470.2      691.7    149.713   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
-    592   1     10  16   2    24     2.723   11222.387     2034.2     2992.4    647.645   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
-    593   1     14  10   8    24     2.723   11222.387     1173.9     1726.8    373.729   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
-    594   1     16  10   2    24     2.723   11222.387      826.1     1215.1    262.997   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
-    595   1     18   6   0    12     2.723   11222.387      134.1      197.2     42.682   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
-    596   1      5  18   3    24     2.738   11253.689      382.0      519.2    182.982   2.738   0.000   0.000  0.541743  0.193075  0.119414  1.000000
-    597   1     14   9   9    24     2.738   11253.689     1136.9     1545.3    544.600   2.738   0.000   0.000  0.541743  0.193075  0.119414  1.000000
-    598   1     18   5   3    24     2.738   11253.689      807.0     1097.0    386.600   2.738   0.000   0.000  0.541743  0.193075  0.119414  1.000000
-    599   1      8  16   6    24     2.753   11285.257     1397.3     1293.3    329.894   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
-    600   1     10  16   0    12     2.753   11285.257        9.0        8.3      2.114   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
+    592   1     10  16   2    24     2.723   11222.387     2034.2     2992.4    647.644   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
+    593   1     14  10   8    24     2.723   11222.387     1173.9     1726.8    373.728   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
+    594   1     16  10   2    24     2.723   11222.387      826.1     1215.2    262.998   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
+    595   1     18   6   0    12     2.723   11222.387      134.1      197.2     42.683   2.723   0.000   0.000  0.540236  0.193639  0.120676  1.000000
+    596   1      5  18   3    24     2.738   11253.689      382.0      519.2    182.988   2.738   0.000   0.000  0.541743  0.193075  0.119414  1.000000
+    597   1     14   9   9    24     2.738   11253.689     1136.9     1545.3    544.615   2.738   0.000   0.000  0.541743  0.193075  0.119414  1.000000
+    598   1     18   5   3    24     2.738   11253.689      807.0     1097.0    386.611   2.738   0.000   0.000  0.541743  0.193075  0.119414  1.000000
+    599   1      8  16   6    24     2.753   11285.259     1397.3     1293.3    329.891   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
+    600   1     10  16   0    12     2.753   11285.259        9.0        8.3      2.113   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    601   1     12  14   4    24     2.753   11285.257     1675.9     1551.2    395.670   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
-    602   1     14  12   4    24     2.753   11285.257       70.2       65.0     16.581   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
-    603   1     16   8   6    24     2.753   11285.257      356.4      329.9     84.151   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
-    604   1     16  10   0    12     2.753   11285.257      550.2      509.2    129.889   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
-    605   1     18   4   4    24     2.753   11285.257     2368.3     2192.0    559.142   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
-    606   1      7  17   4    24     2.769   11317.091      167.8      218.0     65.065   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
-    607   1      8  17   1    24     2.769   11317.091      117.0      152.1     45.379   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
-    608   1     11  13   8    24     2.769   11317.091      361.8      470.1    140.299   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
-    609   1     13  11   8    24     2.769   11317.091      606.5      788.1    235.184   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
-    610   1     13  13   4    24     2.769   11317.091      327.5      425.5    126.987   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
-    611   1     16   7   7    24     2.769   11317.091       91.8      119.3     35.593   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
-    612   1     17   7   4    24     2.769   11317.091       39.5       51.3     15.309   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
-    613   1     17   8   1    24     2.769   11317.091     1700.7     2210.0    659.519   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
-    614   1     12  12   8    24     2.785   11349.197      654.8     3051.0    945.115   2.785   0.000   0.000  0.546340  0.191372  0.115667  1.000000
+    601   1     12  14   4    24     2.753   11285.259     1675.9     1551.2    395.666   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
+    602   1     14  12   4    24     2.753   11285.259       70.2       65.0     16.581   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
+    603   1     16   8   6    24     2.753   11285.259      356.4      329.9     84.150   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
+    604   1     16  10   0    12     2.753   11285.259      550.2      509.2    129.888   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
+    605   1     18   4   4    24     2.753   11285.259     2368.3     2192.1    559.136   2.753   0.000   0.000  0.543262  0.192509  0.118158  1.000000
+    606   1      7  17   4    24     2.769   11317.092      167.8      218.0     65.062   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    607   1      8  17   1    24     2.769   11317.092      117.0      152.1     45.378   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    608   1     11  13   8    24     2.769   11317.092      361.8      470.1    140.295   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    609   1     13  11   8    24     2.769   11317.092      606.5      788.1    235.176   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    610   1     13  13   4    24     2.769   11317.092      327.5      425.5    126.982   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    611   1     16   7   7    24     2.769   11317.092       91.8      119.3     35.591   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    612   1     17   7   4    24     2.769   11317.092       39.5       51.3     15.309   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    613   1     17   8   1    24     2.769   11317.092     1700.7     2209.9    659.496   2.769   0.000   0.000  0.544795  0.191941  0.116909  1.000000
+    614   1     12  12   8    24     2.785   11349.197      654.8     3050.9    945.097   2.785   0.000   0.000  0.546340  0.191372  0.115667  1.000000
     615   1      5  18   1    24     2.801   11381.577      117.8      156.3     39.800   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
-    616   1      6  17   5    24     2.801   11381.577      252.7      335.4     85.404   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    616   1      6  17   5    24     2.801   11381.577      252.7      335.4     85.405   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
     617   1     10  13   9    24     2.801   11381.577       63.4       84.2     21.444   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
     618   1     10  15   5    24     2.801   11381.577      599.4      795.6    202.587   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
-    619   1     11  15   2    24     2.801   11381.577     2289.5     3039.1    773.849   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
-    620   1     13  10   9    24     2.801   11381.577      433.2      575.1    146.429   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
-    621   1     15  10   5    24     2.801   11381.577      556.3      738.4    188.022   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
-    622   1     15  11   2    24     2.801   11381.577      697.2      925.5    235.671   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
-    623   1     17   6   5    24     2.801   11381.577      633.4      840.7    214.081   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    619   1     11  15   2    24     2.801   11381.577     2289.5     3039.1    773.853   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    620   1     13  10   9    24     2.801   11381.577      433.2      575.1    146.430   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    621   1     15  10   5    24     2.801   11381.577      556.3      738.4    188.023   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    622   1     15  11   2    24     2.801   11381.577      697.2      925.5    235.672   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
+    623   1     17   6   5    24     2.801   11381.577      633.4      840.7    214.082   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
     624   1     18   5   1    24     2.801   11381.577       19.5       25.9      6.586   2.801   0.000   0.000  0.547899  0.190801  0.114433  1.000000
-    625   1      9  16   3    24     2.833   11447.177      496.8      552.7    311.564   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
-    626   1     11  12   9    24     2.833   11447.177       75.7       84.2     47.491   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
-    627   1     11  15   0    12     2.833   11447.177      243.6      271.1    152.809   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
-    628   1     12  11   9    24     2.833   11447.177      692.6      770.6    434.408   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
-    629   1     15  11   0    12     2.833   11447.177        1.0        1.1      0.646   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
-    630   1     16   9   3    24     2.833   11447.177      696.8      775.2    437.022   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
-    631   1      4  18   2    24     2.849   11480.406     1175.0     1576.4    260.004   2.849   0.000   0.000  0.552657  0.189079  0.110771  1.000000
-    632   1     12  10  10    24     2.849   11480.406      874.1     1172.8    193.435   2.849   0.000   0.000  0.552657  0.189079  0.110771  1.000000
-    633   1     12  14   2    24     2.849   11480.406     1586.9     2129.0    351.163   2.849   0.000   0.000  0.552657  0.189079  0.110771  1.000000
-    634   1     14  12   2    24     2.849   11480.406     3017.5     4048.3    667.726   2.849   0.000   0.000  0.552657  0.189079  0.110771  1.000000
+    625   1      9  16   3    24     2.833   11447.178      496.8      552.7    311.554   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
+    626   1     11  12   9    24     2.833   11447.178       75.7       84.2     47.489   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
+    627   1     11  15   0    12     2.833   11447.178      243.6      271.1    152.804   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
+    628   1     12  11   9    24     2.833   11447.178      692.6      770.6    434.394   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
+    629   1     15  11   0    12     2.833   11447.178        1.0        1.1      0.646   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
+    630   1     16   9   3    24     2.833   11447.178      696.8      775.2    437.008   2.833   0.000   0.000  0.551057  0.189654  0.111984  1.000000
+    631   1      4  18   2    24     2.849   11480.406     1175.0     1576.4    260.003   2.849   0.000   0.000  0.552657  0.189079  0.110771  1.000000
+    632   1     12  10  10    24     2.849   11480.406      874.1     1172.8    193.434   2.849   0.000   0.000  0.552657  0.189079  0.110771  1.000000
+    633   1     12  14   2    24     2.849   11480.406     1586.9     2129.0    351.161   2.849   0.000   0.000  0.552657  0.189079  0.110771  1.000000
+    634   1     14  12   2    24     2.849   11480.406     3017.5     4048.3    667.722   2.849   0.000   0.000  0.552657  0.189079  0.110771  1.000000
     635   1     18   4   2    24     2.849   11480.406      250.4      336.0     55.413   2.849   0.000   0.000  0.552657  0.189079  0.110771  1.000000
     636   1      7  17   2    24     2.866   11513.926      565.6      623.1    148.510   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
     637   1      9  15   6    24     2.866   11513.926       64.1       70.6     16.826   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
-    638   1     11  11  10    24     2.866   11513.926     1587.5     1748.9    416.848   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
+    638   1     11  11  10    24     2.866   11513.926     1587.5     1748.9    416.849   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
     639   1     11  14   5    24     2.866   11513.926     1280.5     1410.7    336.221   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
     640   1     13  13   2    24     2.866   11513.926      819.6      902.9    215.198   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
     641   1     14  11   5    24     2.866   11513.926       92.8      102.2     24.360   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
     642   1     15   9   6    24     2.866   11513.926      112.2      123.6     29.456   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
     643   1     17   7   2    24     2.866   11513.926      302.4      333.2     79.414   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
     644   1     18   3   3    24     2.866   11513.926      627.2      690.9    164.682   2.866   0.000   0.000  0.554270  0.188501  0.109564  1.000000
-    645   1      4  18   0    12     2.883   11547.740      729.8      661.5    580.980   2.883   0.000   0.000  0.555898  0.187922  0.108365  1.000000
-    646   1     12  14   0    12     2.883   11547.740      292.8      265.4    233.140   2.883   0.000   0.000  0.555898  0.187922  0.108365  1.000000
-    647   1     14  12   0    12     2.883   11547.740       90.0       81.6     71.645   2.883   0.000   0.000  0.555898  0.187922  0.108365  1.000000
+    645   1      4  18   0    12     2.883   11547.740      729.8      661.5    580.989   2.883   0.000   0.000  0.555898  0.187922  0.108365  1.000000
+    646   1     12  14   0    12     2.883   11547.740      292.8      265.4    233.143   2.883   0.000   0.000  0.555898  0.187922  0.108365  1.000000
+    647   1     14  12   0    12     2.883   11547.740       90.0       81.6     71.646   2.883   0.000   0.000  0.555898  0.187922  0.108365  1.000000
     648   1     18   4   0    12     2.883   11547.740       41.2       37.3     32.779   2.883   0.000   0.000  0.555898  0.187922  0.108365  1.000000
-    649   1      7  17   0    12     2.900   11581.854      934.7     1085.9    303.269   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
-    650   1      8  15   7    24     2.900   11581.854     1227.4     1426.1    398.255   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
-    651   1      9  16   1    24     2.900   11581.854     1009.4     1172.7    327.507   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
-    652   1     12  13   5    24     2.900   11581.854      380.1      441.6    123.330   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
-    653   1     13  12   5    24     2.900   11581.854     1336.8     1553.2    433.756   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
-    654   1     13  13   0    12     2.900   11581.854       31.4       36.5     10.201   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
-    655   1     15   8   7    24     2.900   11581.854       17.7       20.6      5.743   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
-    656   1     16   9   1    24     2.900   11581.854       23.2       26.9      7.516   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
-    657   1     17   7   0    12     2.900   11581.854       80.2       93.2     26.014   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
-    658   1      8  16   4    24     2.917   11616.273      134.0      380.4    388.661   2.917   0.000   0.000  0.559197  0.186759  0.105987  1.000000
-    659   1     16   8   4    24     2.917   11616.273       39.1      110.9    113.342   2.917   0.000   0.000  0.559197  0.186759  0.105987  1.000000
-    660   1      3  18   1    24     2.935   11651.002     1226.1     1895.4    556.484   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
+    649   1      7  17   0    12     2.900   11581.855      934.6     1085.9    303.263   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    650   1      8  15   7    24     2.900   11581.855     1227.4     1426.1    398.247   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    651   1      9  16   1    24     2.900   11581.855     1009.3     1172.7    327.500   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    652   1     12  13   5    24     2.900   11581.855      380.1      441.6    123.328   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    653   1     13  12   5    24     2.900   11581.855     1336.8     1553.2    433.750   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    654   1     13  13   0    12     2.900   11581.855       31.4       36.5     10.201   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    655   1     15   8   7    24     2.900   11581.855       17.7       20.6      5.743   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    656   1     16   9   1    24     2.900   11581.855       23.2       26.9      7.516   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    657   1     17   7   0    12     2.900   11581.855       80.2       93.2     26.014   2.900   0.000   0.000  0.557540  0.187341  0.107172  1.000000
+    658   1      8  16   4    24     2.917   11616.274      134.0      380.4    388.658   2.917   0.000   0.000  0.559197  0.186759  0.105987  1.000000
+    659   1     16   8   4    24     2.917   11616.274       39.1      110.9    113.342   2.917   0.000   0.000  0.559197  0.186759  0.105987  1.000000
+    660   1      3  18   1    24     2.935   11651.002     1226.1     1895.3    556.481   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
     661   1      6  17   3    24     2.935   11651.002      246.5      381.0    111.866   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
-    662   1     10  15   3    24     2.935   11651.002     1165.5     1801.7    528.977   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
-    663   1     15  10   3    24     2.935   11651.002      396.9      613.5    180.127   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
+    662   1     10  15   3    24     2.935   11651.002     1165.5     1801.7    528.975   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
+    663   1     15  10   3    24     2.935   11651.002      396.9      613.5    180.126   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
     664   1     17   6   3    24     2.935   11651.002      277.1      428.3    125.757   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
     665   1     18   3   1    24     2.935   11651.002       33.9       52.5     15.405   2.935   0.000   0.000  0.560869  0.186174  0.104808  1.000000
-    666   1     10  14   6    24     2.952   11686.042       23.6       67.7     22.684   2.952   0.000   0.000  0.562556  0.185588  0.103637  1.000000
+    666   1     10  14   6    24     2.952   11686.042       23.6       67.7     22.685   2.952   0.000   0.000  0.562556  0.185588  0.103637  1.000000
     667   1     14  10   6    24     2.952   11686.042       15.9       45.7     15.315   2.952   0.000   0.000  0.562556  0.185588  0.103637  1.000000
-    668   1     18   2   2    24     2.952   11686.042     1048.7     3007.7   1007.584   2.952   0.000   0.000  0.562556  0.185588  0.103637  1.000000
-    669   1      5  17   4    24     2.970   11721.399     2536.4     4070.5    926.244   2.970   0.000   0.000  0.564258  0.185000  0.102473  1.000000
-    670   1      7  16   5    24     2.970   11721.399      124.2      199.4     45.373   2.970   0.000   0.000  0.564258  0.185000  0.102473  1.000000
-    671   1     16   7   5    24     2.970   11721.399      563.2      903.8    205.670   2.970   0.000   0.000  0.564258  0.185000  0.102473  1.000000
-    672   1     17   5   4    24     2.970   11721.399     1091.5     1751.6    398.589   2.970   0.000   0.000  0.564258  0.185000  0.102473  1.000000
-    673   1      2  18   0    12     2.988   11757.082      172.6      768.1    164.185   2.988   0.000   0.000  0.565976  0.184411  0.101315  1.000000
-    674   1     16   6   6    24     2.988   11757.082      821.5     3655.4    781.381   2.988   0.000   0.000  0.565976  0.184411  0.101315  1.000000
-    675   1     18   2   0    12     2.988   11757.082       41.5      184.7     39.483   2.988   0.000   0.000  0.565976  0.184411  0.101315  1.000000
-    676   1      6  17   1    24     3.007   11793.092       28.7       39.3      4.452   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
-    677   1      9  14   7    24     3.007   11793.092     2010.0     2755.8    311.865   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    668   1     18   2   2    24     2.952   11686.042     1048.7     3007.8   1007.599   2.952   0.000   0.000  0.562556  0.185588  0.103637  1.000000
+    669   1      5  17   4    24     2.970   11721.400     2536.4     4070.5    926.250   2.970   0.000   0.000  0.564258  0.185000  0.102473  1.000000
+    670   1      7  16   5    24     2.970   11721.400      124.2      199.4     45.373   2.970   0.000   0.000  0.564258  0.185000  0.102473  1.000000
+    671   1     16   7   5    24     2.970   11721.400      563.2      903.8    205.671   2.970   0.000   0.000  0.564258  0.185000  0.102473  1.000000
+    672   1     17   5   4    24     2.970   11721.400     1091.5     1751.6    398.591   2.970   0.000   0.000  0.564258  0.185000  0.102473  1.000000
+    673   1      2  18   0    12     2.988   11757.082      172.6      768.1    164.183   2.988   0.000   0.000  0.565976  0.184411  0.101315  1.000000
+    674   1     16   6   6    24     2.988   11757.082      821.5     3655.4    781.369   2.988   0.000   0.000  0.565976  0.184411  0.101315  1.000000
+    675   1     18   2   0    12     2.988   11757.082       41.5      184.7     39.482   2.988   0.000   0.000  0.565976  0.184411  0.101315  1.000000
+    676   1      6  17   1    24     3.007   11793.092       28.7       39.3      4.451   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    677   1      9  14   7    24     3.007   11793.092     2010.0     2755.8    311.867   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
     678   1     10  15   1    24     3.007   11793.092      424.6      582.1     65.874   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
-    679   1     11  13   6    24     3.007   11793.092     1925.3     2639.6    298.723   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    679   1     11  13   6    24     3.007   11793.092     1925.3     2639.7    298.725   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
     680   1     11  14   3    24     3.007   11793.092      294.8      404.1     45.735   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
-    681   1     13  11   6    24     3.007   11793.092      783.4     1074.1    121.550   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
-    682   1     14   9   7    24     3.007   11793.092       91.8      125.9     14.247   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    681   1     13  11   6    24     3.007   11793.092      783.4     1074.1    121.551   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    682   1     14   9   7    24     3.007   11793.092       91.8      125.9     14.248   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
     683   1     14  11   3    24     3.007   11793.092       59.7       81.8      9.255   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
     684   1     15  10   1    24     3.007   11793.092      104.8      143.7     16.260   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
-    685   1     17   6   1    24     3.007   11793.092     4116.4     5643.8    638.703   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
-    686   1     18   1   1    24     3.007   11793.092      819.8     1124.0    127.205   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
-    687   1      8  16   2    24     3.025   11829.433      213.1      276.4     35.130   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
-    688   1     12  12   6    24     3.025   11829.433      721.6      935.9    118.933   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
-    689   1     14   8   8    24     3.025   11829.433     4937.4     6403.8    813.820   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
-    690   1     16   8   2    24     3.025   11829.433      717.6      930.7    118.283   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
-    691   1     18   0   0     6     3.025   11829.433     2903.6     3766.0    478.591   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
-    692   1      9  15   4    24     3.044   11866.114     1833.4     2640.1    785.828   3.044   0.000   0.000  0.571224  0.182631  0.097886  1.000000
-    693   1     12  13   3    24     3.044   11866.114      131.0      188.6     56.134   3.044   0.000   0.000  0.571224  0.182631  0.097886  1.000000
-    694   1     13  12   3    24     3.044   11866.114      733.8     1056.8    314.546   3.044   0.000   0.000  0.571224  0.182631  0.097886  1.000000
+    685   1     17   6   1    24     3.007   11793.092     4116.5     5643.9    638.710   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    686   1     18   1   1    24     3.007   11793.092      819.8     1124.0    127.206   3.007   0.000   0.000  0.567709  0.183819  0.100165  1.000000
+    687   1      8  16   2    24     3.025   11829.434      213.1      276.4     35.129   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
+    688   1     12  12   6    24     3.025   11829.434      721.5      935.9    118.930   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
+    689   1     14   8   8    24     3.025   11829.434     4937.3     6403.7    813.796   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
+    690   1     16   8   2    24     3.025   11829.434      717.6      930.7    118.279   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
+    691   1     18   0   0     6     3.025   11829.434     2903.5     3765.9    478.578   3.025   0.000   0.000  0.569459  0.183226  0.099022  1.000000
+    692   1      9  15   4    24     3.044   11866.114     1833.4     2640.0    785.811   3.044   0.000   0.000  0.571224  0.182631  0.097886  1.000000
+    693   1     12  13   3    24     3.044   11866.114      131.0      188.6     56.132   3.044   0.000   0.000  0.571224  0.182631  0.097886  1.000000
+    694   1     13  12   3    24     3.044   11866.114      733.8     1056.7    314.538   3.044   0.000   0.000  0.571224  0.182631  0.097886  1.000000
     695   1     15   9   4    24     3.044   11866.114       51.0       73.5     21.869   3.044   0.000   0.000  0.571224  0.182631  0.097886  1.000000
-    696   1      8  16   0    12     3.063   11903.140      773.9     1653.8    393.074   3.063   0.000   0.000  0.573007  0.182034  0.096756  1.000000
-    697   1     16   8   0    12     3.063   11903.140     1759.5     3760.1    893.680   3.063   0.000   0.000  0.573007  0.182034  0.096756  1.000000
-    698   1      5  17   2    24     3.082   11940.512      847.3      814.2    325.506   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
-    699   1     10  13   7    24     3.082   11940.512      250.5      240.7     96.213   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
-    700   1     11  14   1    24     3.082   11940.512      347.1      333.5    133.352   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
-    701   1     13  10   7    24     3.082   11940.512     1908.9     1834.2    733.301   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
-    702   1     14  11   1    24     3.082   11940.512      825.1      792.9    316.980   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
+    696   1      8  16   0    12     3.063   11903.139      773.9     1653.8    393.067   3.063   0.000   0.000  0.573007  0.182034  0.096757  1.000000
+    697   1     16   8   0    12     3.063   11903.139     1759.5     3760.1    893.664   3.063   0.000   0.000  0.573007  0.182034  0.096757  1.000000
+    698   1      5  17   2    24     3.082   11940.512      847.3      814.2    325.510   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
+    699   1     10  13   7    24     3.082   11940.512      250.5      240.7     96.216   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
+    700   1     11  14   1    24     3.082   11940.512      347.1      333.6    133.354   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
+    701   1     13  10   7    24     3.082   11940.512     1908.9     1834.2    733.311   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
+    702   1     14  11   1    24     3.082   11940.512      825.1      792.9    316.985   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
     703   1     17   5   2    24     3.082   11940.512        8.6        8.2      3.289   3.082   0.000   0.000  0.574806  0.181435  0.095634  1.000000
-    704   1      4  17   3    24     3.122   12016.323       39.6       59.3      6.370   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
-    705   1      5  17   0    12     3.122   12016.323        0.5        0.7      0.077   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
-    706   1      7  16   3    24     3.122   12016.323     1949.1     2917.9    313.508   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
-    707   1      8  15   5    24     3.122   12016.323      524.8      785.7     84.420   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
-    708   1      9  13   8    24     3.122   12016.323     1935.2     2897.0    311.268   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
-    709   1     11  12   7    24     3.122   12016.323     1606.6     2405.1    258.416   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
-    710   1     12  11   7    24     3.122   12016.323      187.3      280.4     30.122   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
-    711   1     12  13   1    24     3.122   12016.323      275.4      412.3     44.301   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
-    712   1     13   9   8    24     3.122   12016.323      299.6      448.5     48.183   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
-    713   1     13  12   1    24     3.122   12016.323      137.3      205.5     22.084   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
-    714   1     15   8   5    24     3.122   12016.323     1145.9     1715.4    184.312   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
-    715   1     16   7   3    24     3.122   12016.323     1421.4     2127.8    228.618   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
-    716   1     17   4   3    24     3.122   12016.323     2431.4     3639.8    391.076   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
-    717   1     17   5   0    12     3.122   12016.323      140.3      210.0     22.562   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
-    718   1     10  14   4    24     3.142   12054.776      200.6      744.4    169.924   3.142   0.000   0.000  0.580306  0.179628  0.092310  1.000000
-    719   1     14  10   4    24     3.142   12054.776      600.8     2229.9    508.984   3.142   0.000   0.000  0.580306  0.179628  0.092310  1.000000
-    720   1      7  15   6    24     3.162   12093.601     2216.1     2609.9    312.755   3.162   0.000   0.000  0.582175  0.179021  0.091216  1.000000
+    704   1      4  17   3    24     3.122   12016.325       39.6       59.3      6.370   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    705   1      5  17   0    12     3.122   12016.325        0.5        0.7      0.077   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    706   1      7  16   3    24     3.122   12016.325     1949.2     2917.9    313.512   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    707   1      8  15   5    24     3.122   12016.325      524.9      785.7     84.421   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    708   1      9  13   8    24     3.122   12016.325     1935.2     2897.1    311.274   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    709   1     11  12   7    24     3.122   12016.325     1606.6     2405.2    258.420   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    710   1     12  11   7    24     3.122   12016.325      187.3      280.4     30.123   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    711   1     12  13   1    24     3.122   12016.325      275.4      412.3     44.302   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    712   1     13   9   8    24     3.122   12016.325      299.6      448.5     48.184   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    713   1     13  12   1    24     3.122   12016.325      137.3      205.5     22.084   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    714   1     15   8   5    24     3.122   12016.325     1145.9     1715.5    184.316   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    715   1     16   7   3    24     3.122   12016.325     1421.4     2127.8    228.621   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    716   1     17   4   3    24     3.122   12016.325     2431.4     3639.9    391.081   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    717   1     17   5   0    12     3.122   12016.325      140.3      210.0     22.562   3.122   0.000   0.000  0.578455  0.180232  0.093411  1.000000
+    718   1     10  14   4    24     3.142   12054.776      200.6      744.4    169.915   3.142   0.000   0.000  0.580306  0.179628  0.092310  1.000000
+    719   1     14  10   4    24     3.142   12054.776      600.8     2229.8    508.955   3.142   0.000   0.000  0.580306  0.179628  0.092310  1.000000
+    720   1      7  15   6    24     3.162   12093.601     2216.1     2609.9    312.753   3.162   0.000   0.000  0.582175  0.179021  0.091216  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
     721   1      9  15   2    24     3.162   12093.601      218.9      257.9     30.899   3.162   0.000   0.000  0.582175  0.179021  0.091216  1.000000
-    722   1     15   7   6    24     3.162   12093.601     2883.3     3395.8    406.927   3.162   0.000   0.000  0.582175  0.179021  0.091216  1.000000
-    723   1     15   9   2    24     3.162   12093.601     5866.5     6909.2    827.946   3.162   0.000   0.000  0.582175  0.179021  0.091216  1.000000
+    722   1     15   7   6    24     3.162   12093.601     2883.3     3395.8    406.926   3.162   0.000   0.000  0.582175  0.179021  0.091216  1.000000
+    723   1     15   9   2    24     3.162   12093.601     5866.5     6909.2    827.945   3.162   0.000   0.000  0.582175  0.179021  0.091216  1.000000
     724   1      6  16   4    24     3.183   12132.803      887.2     1184.0    115.612   3.183   0.000   0.000  0.584063  0.178413  0.090129  1.000000
     725   1     10  12   8    24     3.183   12132.803     1808.2     2413.1    235.633   3.183   0.000   0.000  0.584063  0.178413  0.090129  1.000000
-    726   1     12  10   8    24     3.183   12132.803     6414.6     8560.2    835.894   3.183   0.000   0.000  0.584063  0.178413  0.090129  1.000000
-    727   1     16   6   4    24     3.183   12132.803     2700.2     3603.4    351.866   3.183   0.000   0.000  0.584063  0.178413  0.090129  1.000000
+    726   1     12  10   8    24     3.183   12132.803     6414.6     8560.2    835.893   3.183   0.000   0.000  0.584063  0.178413  0.090129  1.000000
+    727   1     16   6   4    24     3.183   12132.803     2700.2     3603.4    351.867   3.183   0.000   0.000  0.584063  0.178413  0.090129  1.000000
     728   1      4  17   1    24     3.203   12172.387       60.8       89.3     15.246   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
     729   1      7  16   1    24     3.203   12172.387      121.2      178.1     30.400   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
     730   1      9  15   0    12     3.203   12172.387      371.2      545.7     93.125   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
     731   1     11  11   8    24     3.203   12172.387      294.0      432.2     73.751   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
-    732   1     11  13   4    24     3.203   12172.387     1140.4     1676.5    286.101   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    732   1     11  13   4    24     3.203   12172.387     1140.4     1676.5    286.102   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
     733   1     12   9   9    24     3.203   12172.387     1238.1     1820.1    310.606   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
     734   1     13  11   4    24     3.203   12172.387       82.9      121.8     20.791   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
     735   1     15   9   0    12     3.203   12172.387      255.2      375.1     64.020   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
-    736   1     16   5   5    24     3.203   12172.387      580.8      853.8    145.713   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
-    737   1     16   7   1    24     3.203   12172.387     1280.1     1881.9    321.158   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
-    738   1     17   4   1    24     3.203   12172.387      962.4     1414.9    241.457   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
-    739   1     12  12   4    24     3.224   12212.362       48.4      266.8    163.684   3.224   0.000   0.000  0.587892  0.177190  0.087976  1.000000
+    736   1     16   5   5    24     3.203   12172.387      580.8      853.8    145.712   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    737   1     16   7   1    24     3.203   12172.387     1280.1     1881.9    321.157   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    738   1     17   4   1    24     3.203   12172.387      962.4     1414.9    241.456   3.203   0.000   0.000  0.585968  0.177802  0.089049  1.000000
+    739   1     12  12   4    24     3.224   12212.362       48.4      266.8    163.686   3.224   0.000   0.000  0.587892  0.177190  0.087976  1.000000
     740   1      3  17   2    24     3.246   12252.733      105.3      154.5     42.082   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
-    741   1      9  14   5    24     3.246   12252.733      604.0      886.4    241.434   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
-    742   1     10  11   9    24     3.246   12252.733      986.9     1448.2    394.472   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
-    743   1     11  10   9    24     3.246   12252.733     1168.9     1715.3    467.221   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
-    744   1     14   9   5    24     3.246   12252.733     1035.4     1519.3    413.836   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
-    745   1     17   3   2    24     3.246   12252.733       65.1       95.5     26.019   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
-    746   1     10  10  10     8     3.267   12293.508      140.1      269.2    194.232   3.267   0.000   0.000  0.591799  0.175959  0.085852  1.000000
-    747   1     10  14   2    24     3.267   12293.508      100.8      193.6    139.694   3.267   0.000   0.000  0.591799  0.175959  0.085852  1.000000
-    748   1     14  10   2    24     3.267   12293.508      433.8      833.5    601.287   3.267   0.000   0.000  0.591799  0.175959  0.085852  1.000000
-    749   1      3  17   0    12     3.289   12334.693       45.0       90.3     32.771   3.289   0.000   0.000  0.593781  0.175341  0.084800  1.000000
-    750   1      8  15   3    24     3.289   12334.693      826.4     1656.5    601.300   3.289   0.000   0.000  0.593781  0.175341  0.084800  1.000000
-    751   1     15   8   3    24     3.289   12334.693      628.5     1259.8    457.323   3.289   0.000   0.000  0.593781  0.175341  0.084800  1.000000
-    752   1     17   3   0    12     3.289   12334.693      130.1      260.7     94.629   3.289   0.000   0.000  0.593781  0.175341  0.084800  1.000000
-    753   1      6  16   2    24     3.312   12376.295     3499.6     3264.7    573.718   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
-    754   1      8  14   6    24     3.312   12376.295      445.3      415.4     73.003   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
-    755   1     10  14   0    12     3.312   12376.295      878.6      819.6    144.034   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
-    756   1     14   8   6    24     3.312   12376.295     1901.1     1773.5    311.655   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
-    757   1     14  10   0    12     3.312   12376.295     1856.9     1732.2    304.411   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
-    758   1     16   6   2    24     3.312   12376.295      131.1      122.3     21.490   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
-    759   1      2  17   1    24     3.334   12418.319     1651.5     1989.2    320.359   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
-    760   1     10  13   5    24     3.334   12418.319     2201.2     2651.4    426.995   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
-    761   1     11  13   2    24     3.334   12418.319      136.4      164.3     26.452   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
-    762   1     13  10   5    24     3.334   12418.319     2072.2     2496.0    401.963   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
-    763   1     13  11   2    24     3.334   12418.319      623.8      751.3    121.001   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
-    764   1     14   7   7    24     3.334   12418.319      476.0      573.3     92.333   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
-    765   1     17   2   1    24     3.334   12418.319      220.6      265.8     42.799   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
-    766   1      6  16   0    12     3.357   12460.774      931.1     2481.4    756.131   3.357   0.000   0.000  0.599851  0.173473  0.081687  1.000000
-    767   1     12  12   2    24     3.357   12460.774       70.4      187.7     57.191   3.357   0.000   0.000  0.599851  0.173473  0.081687  1.000000
-    768   1     16   6   0    12     3.357   12460.774       20.4       54.5     16.605   3.357   0.000   0.000  0.599851  0.173473  0.081687  1.000000
-    769   1      1  17   0    12     3.380   12503.668     1379.6     1505.5    171.642   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
-    770   1      5  16   3    24     3.380   12503.668     1972.1     2152.2    245.362   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
-    771   1      7  15   4    24     3.380   12503.668      720.1      785.9     89.599   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
-    772   1      8  15   1    24     3.380   12503.668     1011.5     1103.9    125.855   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
-    773   1     11  12   5    24     3.380   12503.668      575.9      628.5     71.655   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
-    774   1     11  13   0    12     3.380   12503.668       20.5       22.3      2.545   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
-    775   1     12  11   5    24     3.380   12503.668     4788.1     5225.3    595.719   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
-    776   1     13  11   0    12     3.380   12503.668      101.5      110.8     12.633   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
-    777   1     15   7   4    24     3.380   12503.668     1056.3     1152.8    131.427   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
-    778   1     15   8   1    24     3.380   12503.668      125.9      137.4     15.669   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
-    779   1     16   5   3    24     3.380   12503.668     1104.9     1205.8    137.466   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
-    780   1     17   1   0    12     3.380   12503.668       26.3       28.7      3.267   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    741   1      9  14   5    24     3.246   12252.733      604.0      886.4    241.437   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
+    742   1     10  11   9    24     3.246   12252.733      986.9     1448.2    394.473   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
+    743   1     11  10   9    24     3.246   12252.733     1168.9     1715.3    467.222   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
+    744   1     14   9   5    24     3.246   12252.733     1035.4     1519.3    413.840   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
+    745   1     17   3   2    24     3.246   12252.733       65.1       95.5     26.020   3.246   0.000   0.000  0.589836  0.176576  0.086911  1.000000
+    746   1     10  10  10     8     3.267   12293.509      140.1      269.2    194.235   3.267   0.000   0.000  0.591799  0.175959  0.085852  1.000000
+    747   1     10  14   2    24     3.267   12293.509      100.8      193.6    139.694   3.267   0.000   0.000  0.591799  0.175959  0.085852  1.000000
+    748   1     14  10   2    24     3.267   12293.509      433.8      833.5    601.284   3.267   0.000   0.000  0.591799  0.175959  0.085852  1.000000
+    749   1      3  17   0    12     3.289   12334.693       45.0       90.3     32.770   3.289   0.000   0.000  0.593781  0.175341  0.084800  1.000000
+    750   1      8  15   3    24     3.289   12334.693      826.4     1656.4    601.286   3.289   0.000   0.000  0.593781  0.175341  0.084800  1.000000
+    751   1     15   8   3    24     3.289   12334.693      628.5     1259.8    457.311   3.289   0.000   0.000  0.593781  0.175341  0.084800  1.000000
+    752   1     17   3   0    12     3.289   12334.693      130.1      260.7     94.627   3.289   0.000   0.000  0.593781  0.175341  0.084800  1.000000
+    753   1      6  16   2    24     3.312   12376.293     3499.7     3264.6    573.724   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
+    754   1      8  14   6    24     3.312   12376.293      445.3      415.4     73.003   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
+    755   1     10  14   0    12     3.312   12376.293      878.6      819.6    144.036   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
+    756   1     14   8   6    24     3.312   12376.293     1901.1     1773.4    311.660   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
+    757   1     14  10   0    12     3.312   12376.293     1856.9     1732.2    304.415   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
+    758   1     16   6   2    24     3.312   12376.293      131.1      122.3     21.490   3.312   0.000   0.000  0.595784  0.174720  0.083755  1.000000
+    759   1      2  17   1    24     3.334   12418.318     1651.5     1989.3    320.359   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
+    760   1     10  13   5    24     3.334   12418.318     2201.2     2651.4    426.995   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
+    761   1     11  13   2    24     3.334   12418.318      136.4      164.3     26.452   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
+    762   1     13  10   5    24     3.334   12418.318     2072.2     2496.0    401.964   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
+    763   1     13  11   2    24     3.334   12418.318      623.8      751.4    121.002   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
+    764   1     14   7   7    24     3.334   12418.318      476.0      573.3     92.333   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
+    765   1     17   2   1    24     3.334   12418.318      220.6      265.8     42.800   3.334   0.000   0.000  0.597807  0.174098  0.082718  1.000000
+    766   1      6  16   0    12     3.357   12460.775      931.1     2481.5    756.159   3.357   0.000   0.000  0.599851  0.173473  0.081687  1.000000
+    767   1     12  12   2    24     3.357   12460.775       70.4      187.7     57.193   3.357   0.000   0.000  0.599851  0.173473  0.081687  1.000000
+    768   1     16   6   0    12     3.357   12460.775       20.4       54.5     16.606   3.357   0.000   0.000  0.599851  0.173473  0.081687  1.000000
+    769   1      1  17   0    12     3.380   12503.669     1379.5     1505.5    171.639   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    770   1      5  16   3    24     3.380   12503.669     1972.1     2152.2    245.358   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    771   1      7  15   4    24     3.380   12503.669      720.1      785.9     89.598   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    772   1      8  15   1    24     3.380   12503.669     1011.5     1103.9    125.852   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    773   1     11  12   5    24     3.380   12503.669      575.9      628.5     71.653   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    774   1     11  13   0    12     3.380   12503.669       20.5       22.3      2.545   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    775   1     12  11   5    24     3.380   12503.669     4788.0     5225.3    595.708   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    776   1     13  11   0    12     3.380   12503.669      101.5      110.8     12.632   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    777   1     15   7   4    24     3.380   12503.669     1056.3     1152.8    131.425   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    778   1     15   8   1    24     3.380   12503.669      125.9      137.4     15.669   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    779   1     16   5   3    24     3.380   12503.669     1104.9     1205.8    137.464   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
+    780   1     17   1   0    12     3.380   12503.669       26.3       28.7      3.267   3.380   0.000   0.000  0.601916  0.172846  0.080663  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    781   1     12  12   0    12     3.404   12547.009     3717.6     4150.4    632.864   3.404   0.000   0.000  0.604002  0.172217  0.079647  1.000000
-    782   1     16   4   4    24     3.404   12547.009     3489.7     3896.0    594.070   3.404   0.000   0.000  0.604002  0.172217  0.079647  1.000000
-    783   1      6  15   5    24     3.427   12590.804     1207.2     1439.1    192.572   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
-    784   1      9  13   6    24     3.427   12590.804      430.6      513.3     68.686   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
-    785   1      9  14   3    24     3.427   12590.804     7028.0     8378.2   1121.113   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
-    786   1     13   9   6    24     3.427   12590.804     1097.8     1308.8    175.129   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
-    787   1     14   9   3    24     3.427   12590.804     1939.1     2311.6    309.322   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
-    788   1     15   6   5    24     3.427   12590.804      181.8      216.8     29.008   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
-    789   1      5  16   1    24     3.476   12679.786      265.4      390.3    109.928   3.476   0.000   0.000  0.610394  0.170316  0.076639  1.000000
-    790   1      8  13   7    24     3.476   12679.786     1274.6     1874.4    527.941   3.476   0.000   0.000  0.610394  0.170316  0.076639  1.000000
-    791   1     13   8   7    24     3.476   12679.786      658.6      968.6    272.806   3.476   0.000   0.000  0.610394  0.170316  0.076639  1.000000
+    781   1     12  12   0    12     3.404   12547.009     3717.6     4150.4    632.865   3.404   0.000   0.000  0.604002  0.172217  0.079647  1.000000
+    782   1     16   4   4    24     3.404   12547.009     3489.7     3896.0    594.072   3.404   0.000   0.000  0.604002  0.172217  0.079647  1.000000
+    783   1      6  15   5    24     3.427   12590.805     1207.2     1439.1    192.568   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
+    784   1      9  13   6    24     3.427   12590.805      430.6      513.3     68.685   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
+    785   1      9  14   3    24     3.427   12590.805     7027.9     8378.1   1121.096   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
+    786   1     13   9   6    24     3.427   12590.805     1097.8     1308.7    175.127   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
+    787   1     14   9   3    24     3.427   12590.805     1939.0     2311.6    309.317   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
+    788   1     15   6   5    24     3.427   12590.805      181.8      216.8     29.008   3.427   0.000   0.000  0.606110  0.171585  0.078637  1.000000
+    789   1      5  16   1    24     3.476   12679.786      265.4      390.3    109.927   3.476   0.000   0.000  0.610394  0.170316  0.076639  1.000000
+    790   1      8  13   7    24     3.476   12679.786     1274.6     1874.4    527.939   3.476   0.000   0.000  0.610394  0.170316  0.076639  1.000000
+    791   1     13   8   7    24     3.476   12679.786      658.6      968.5    272.805   3.476   0.000   0.000  0.610394  0.170316  0.076639  1.000000
     792   1     16   5   1    24     3.476   12679.786     1323.5     1946.3    548.191   3.476   0.000   0.000  0.610394  0.170316  0.076639  1.000000
     793   1     10  12   6    24     3.501   12724.990      548.9      623.0    324.631   3.501   0.000   0.000  0.612570  0.169678  0.075651  1.000000
-    794   1     12  10   6    24     3.501   12724.990     1056.7     1199.4    624.967   3.501   0.000   0.000  0.612570  0.169678  0.075651  1.000000
-    795   1      7  15   2    24     3.526   12770.682     3463.4     2595.0    368.843   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
-    796   1      9  14   1    24     3.526   12770.682     1925.4     1442.6    205.045   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
+    794   1     12  10   6    24     3.501   12724.990     1056.7     1199.4    624.968   3.501   0.000   0.000  0.612570  0.169678  0.075651  1.000000
+    795   1      7  15   2    24     3.526   12770.682     3463.4     2595.0    368.842   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
+    796   1      9  14   1    24     3.526   12770.682     1925.4     1442.6    205.044   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
     797   1     10  13   3    24     3.526   12770.682     2416.8     1810.9    257.387   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
-    798   1     11  11   6    24     3.526   12770.682     2091.1     1566.8    222.693   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
-    799   1     13  10   3    24     3.526   12770.682      843.7      632.2     89.857   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
+    798   1     11  11   6    24     3.526   12770.682     2091.1     1566.8    222.692   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
+    799   1     13  10   3    24     3.526   12770.682      843.8      632.2     89.857   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
     800   1     14   9   1    24     3.526   12770.682      296.6      222.3     31.592   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
-    801   1     15   7   2    24     3.526   12770.682     3914.7     2933.2    416.901   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
+    801   1     15   7   2    24     3.526   12770.682     3914.7     2933.2    416.903   3.526   0.000   0.000  0.614769  0.169038  0.074669  1.000000
     802   1      4  16   2    24     3.551   12816.869     1042.6     1037.2    277.407   3.551   0.000   0.000  0.616993  0.168395  0.073695  1.000000
-    803   1      8  14   4    24     3.551   12816.869      330.1      328.4     87.836   3.551   0.000   0.000  0.616993  0.168395  0.073695  1.000000
+    803   1      8  14   4    24     3.551   12816.869      330.1      328.4     87.835   3.551   0.000   0.000  0.616993  0.168395  0.073695  1.000000
     804   1     14   8   4    24     3.551   12816.869     1628.4     1620.0    433.284   3.551   0.000   0.000  0.616993  0.168395  0.073695  1.000000
     805   1     16   4   2    24     3.551   12816.869      941.3      936.4    250.458   3.551   0.000   0.000  0.616993  0.168395  0.073695  1.000000
     806   1      7  15   0    12     3.577   12863.561        4.9        4.9      0.841   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
-    807   1      9  12   7    24     3.577   12863.561     2604.4     2584.1    443.600   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
+    807   1      9  12   7    24     3.577   12863.561     2604.4     2584.1    443.601   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
     808   1     11  12   3    24     3.577   12863.561      163.5      162.3     27.853   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
     809   1     12   9   7    24     3.577   12863.561      126.9      126.0     21.622   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
-    810   1     12  11   3    24     3.577   12863.561     3362.5     3336.2    572.713   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
+    810   1     12  11   3    24     3.577   12863.561     3362.4     3336.2    572.712   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
     811   1     15   7   0    12     3.577   12863.561      365.0      362.1     62.165   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
     812   1     16   3   3    24     3.577   12863.561     1254.7     1244.9    213.706   3.577   0.000   0.000  0.619241  0.167751  0.072728  1.000000
-    813   1      4  16   0    12     3.604   12910.767      638.8      637.6    157.050   3.604   0.000   0.000  0.621513  0.167103  0.071767  1.000000
+    813   1      4  16   0    12     3.604   12910.767      638.8      637.6    157.049   3.604   0.000   0.000  0.621513  0.167103  0.071767  1.000000
     814   1     12   8   8    24     3.604   12910.767     2802.9     2797.6    689.065   3.604   0.000   0.000  0.621513  0.167103  0.071767  1.000000
     815   1     16   4   0    12     3.604   12910.767     1363.9     1361.3    335.288   3.604   0.000   0.000  0.621513  0.167103  0.071767  1.000000
     816   1      6  15   3    24     3.630   12958.495      994.8      159.7    189.335   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
     817   1      7  14   5    24     3.630   12958.495      188.1       30.2     35.805   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
-    818   1     10  11   7    24     3.630   12958.495      607.2       97.5    115.571   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
+    818   1     10  11   7    24     3.630   12958.495      607.2       97.5    115.572   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
     819   1     10  13   1    24     3.630   12958.495      178.5       28.7     33.969   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
-    820   1     11  10   7    24     3.630   12958.495     2493.5      400.3    474.591   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
-    821   1     13  10   1    24     3.630   12958.495     2989.1      479.9    568.919   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
+    820   1     11  10   7    24     3.630   12958.495     2493.5      400.3    474.593   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
+    821   1     13  10   1    24     3.630   12958.495     2989.1      479.9    568.922   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
     822   1     14   7   5    24     3.630   12958.495      350.0       56.2     66.618   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
     823   1     15   6   3    24     3.630   12958.495       33.4        5.4      6.363   3.630   0.000   0.000  0.623811  0.166454  0.070814  1.000000
-    824   1     14   6   6    24     3.658   13006.758       75.0        0.0    149.453   3.658   0.000   0.000  0.626134  0.165802  0.069868  1.000000
-    825   1      3  16   1    24     3.685   13055.563      989.3      889.7     89.678   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
-    826   1      5  15   4    24     3.685   13055.563      687.4      618.2     62.316   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
-    827   1      9  11   8    24     3.685   13055.563       14.8       13.3      1.346   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
-    828   1      9  13   4    24     3.685   13055.563     1088.2      978.6     98.642   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
-    829   1     11   9   8    24     3.685   13055.563     1968.9     1770.6    178.478   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
-    830   1     11  12   1    24     3.685   13055.563      738.3      664.0     66.928   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
-    831   1     12  11   1    24     3.685   13055.563     2339.8     2104.2    212.105   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
-    832   1     13   9   4    24     3.685   13055.563     4756.6     4277.6    431.187   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
-    833   1     15   5   4    24     3.685   13055.563     4098.7     3686.0    371.554   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
-    834   1     16   3   1    24     3.685   13055.563     1943.0     1747.4    176.135   3.685   0.000   0.000  0.628483  0.165147  0.068929  1.000000
-    835   1      8  14   2    24     3.713   13104.925      531.6      388.4    107.195   3.713   0.000   0.000  0.630860  0.164490  0.067996  1.000000
-    836   1     10  10   8    24     3.713   13104.925      852.6      623.0    171.939   3.713   0.000   0.000  0.630860  0.164490  0.067996  1.000000
-    837   1     14   8   2    24     3.713   13104.925     3531.7     2580.4    712.193   3.713   0.000   0.000  0.630860  0.164490  0.067996  1.000000
-    838   1     16   2   2    24     3.713   13104.925      475.8      347.6     95.950   3.713   0.000   0.000  0.630860  0.164490  0.067996  1.000000
-    839   1      6  15   1    24     3.741   13154.848     3495.5     1988.4   1036.378   3.741   0.000   0.000  0.633263  0.163831  0.067071  1.000000
+    824   1     14   6   6    24     3.658   13006.760       75.0        0.0    149.471   3.658   0.000   0.000  0.626134  0.165802  0.069868  1.000000
+    825   1      3  16   1    24     3.685   13055.564      989.3      889.7     89.678   3.685   0.000   0.000  0.628483  0.165147  0.068928  1.000000
+    826   1      5  15   4    24     3.685   13055.564      687.4      618.2     62.315   3.685   0.000   0.000  0.628483  0.165147  0.068928  1.000000
+    827   1      9  11   8    24     3.685   13055.564       14.8       13.4      1.346   3.685   0.000   0.000  0.628483  0.165147  0.068928  1.000000
+    828   1      9  13   4    24     3.685   13055.564     1088.1      978.6     98.641   3.685   0.000   0.000  0.628483  0.165147  0.068928  1.000000
+    829   1     11   9   8    24     3.685   13055.564     1968.8     1770.6    178.477   3.685   0.000   0.000  0.628483  0.165147  0.068928  1.000000
+    830   1     11  12   1    24     3.685   13055.564      738.3      664.0     66.927   3.685   0.000   0.000  0.628483  0.165147  0.068928  1.000000
+    831   1     12  11   1    24     3.685   13055.564     2339.8     2104.2    212.104   3.685   0.000   0.000  0.628483  0.165147  0.068928  1.000000
+    832   1     13   9   4    24     3.685   13055.564     4756.5     4277.6    431.184   3.685   0.000   0.000  0.628483  0.165147  0.068928  1.000000
+    833   1     15   5   4    24     3.685   13055.564     4098.7     3686.0    371.552   3.685   0.000   0.000  0.628483  0.165147  0.068928  1.000000
+    834   1     16   3   1    24     3.685   13055.564     1943.0     1747.4    176.134   3.685   0.000   0.000  0.628483  0.165147  0.068928  1.000000
+    835   1      8  14   2    24     3.713   13104.925      531.6      388.4    107.194   3.713   0.000   0.000  0.630860  0.164490  0.067996  1.000000
+    836   1     10  10   8    24     3.713   13104.925      852.6      623.0    171.938   3.713   0.000   0.000  0.630860  0.164490  0.067996  1.000000
+    837   1     14   8   2    24     3.713   13104.925     3531.7     2580.4    712.187   3.713   0.000   0.000  0.630860  0.164490  0.067996  1.000000
+    838   1     16   2   2    24     3.713   13104.925      475.8      347.6     95.949   3.713   0.000   0.000  0.630860  0.164490  0.067996  1.000000
+    839   1      6  15   1    24     3.741   13154.848     3495.5     1988.4   1036.386   3.741   0.000   0.000  0.633263  0.163831  0.067071  1.000000
     840   1     10   9   9    24     3.741   13154.848       74.0       42.1     21.932   3.741   0.000   0.000  0.633263  0.163831  0.067071  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
     841   1     15   6   1    24     3.741   13154.848       44.3       25.2     13.143   3.741   0.000   0.000  0.633263  0.163831  0.067071  1.000000
-    842   1      2  16   0    12     3.770   13205.346      893.9      605.5    142.377   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
-    843   1      8  14   0    12     3.770   13205.346      258.3      174.9     41.139   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
-    844   1     10  12   4    24     3.770   13205.346     1364.8      924.4    217.367   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
-    845   1     12  10   4    24     3.770   13205.346      250.9      170.0     39.967   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
-    846   1     14   8   0    12     3.770   13205.346     2388.0     1617.4    380.328   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
-    847   1     16   2   0    12     3.770   13205.346     3238.7     2193.6    515.824   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
-    848   1      8  13   5    24     3.799   13256.430     3950.6        0.0    921.716   3.799   0.000   0.000  0.638153  0.162504  0.065242  1.000000
-    849   1     11  11   4    24     3.799   13256.430        7.1        0.0      1.666   3.799   0.000   0.000  0.638153  0.162504  0.065242  1.000000
-    850   1     13   8   5    24     3.799   13256.430      232.0        0.0     54.135   3.799   0.000   0.000  0.638153  0.162504  0.065242  1.000000
-    851   1     16   1   1    24     3.799   13256.430      494.8        0.0    115.453   3.799   0.000   0.000  0.638153  0.162504  0.065242  1.000000
-    852   1     16   0   0     6     3.829   13308.114     2843.3     2384.5   1035.776   3.829   0.000   0.000  0.640641  0.161837  0.064338  1.000000
-    853   1      5  15   2    24     3.859   13360.405     2002.0     3174.7    381.237   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
+    842   1      2  16   0    12     3.770   13205.347      893.9      605.5    142.376   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
+    843   1      8  14   0    12     3.770   13205.347      258.3      174.9     41.139   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
+    844   1     10  12   4    24     3.770   13205.347     1364.8      924.4    217.365   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
+    845   1     12  10   4    24     3.770   13205.347      250.9      170.0     39.967   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
+    846   1     14   8   0    12     3.770   13205.347     2387.9     1617.4    380.323   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
+    847   1     16   2   0    12     3.770   13205.347     3238.7     2193.6    515.818   3.770   0.000   0.000  0.635694  0.163169  0.066153  1.000000
+    848   1      8  13   5    24     3.799   13256.431     3950.6        0.0    921.699   3.799   0.000   0.000  0.638153  0.162504  0.065242  1.000000
+    849   1     11  11   4    24     3.799   13256.431        7.1        0.0      1.666   3.799   0.000   0.000  0.638153  0.162504  0.065242  1.000000
+    850   1     13   8   5    24     3.799   13256.431      232.0        0.0     54.133   3.799   0.000   0.000  0.638153  0.162504  0.065242  1.000000
+    851   1     16   1   1    24     3.799   13256.431      494.8        0.0    115.450   3.799   0.000   0.000  0.638153  0.162504  0.065242  1.000000
+    852   1     16   0   0     6     3.829   13308.114     2843.3     2384.5   1035.770   3.829   0.000   0.000  0.640641  0.161837  0.064338  1.000000
+    853   1      5  15   2    24     3.859   13360.405     2002.0     3174.7    381.236   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
     854   1      7  13   6    24     3.859   13360.405     1704.4     2702.8    324.573   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
-    855   1      7  14   3    24     3.859   13360.405     2223.6     3526.1    423.438   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
+    855   1      7  14   3    24     3.859   13360.405     2223.6     3526.1    423.437   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
     856   1      9  13   2    24     3.859   13360.405      570.2      904.3    108.589   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
     857   1     13   7   6    24     3.859   13360.405      188.2      298.5     35.841   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
     858   1     13   9   2    24     3.859   13360.405      199.7      316.7     38.034   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
-    859   1     14   7   3    24     3.859   13360.405     1597.1     2532.7    304.145   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
+    859   1     14   7   3    24     3.859   13360.405     1597.1     2532.7    304.146   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
     860   1     15   5   2    24     3.859   13360.405      150.3      238.4     28.626   3.859   0.000   0.000  0.643158  0.161167  0.063441  1.000000
     861   1      4  15   3    24     3.921   13466.864     1131.4     1195.0    119.968   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
-    862   1      5  15   0    12     3.921   13466.864     3939.6     4161.0    417.740   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
+    862   1      5  15   0    12     3.921   13466.864     3939.6     4161.0    417.742   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
     863   1      9  12   5    24     3.921   13466.864     3085.3     3258.7    327.158   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
-    864   1      9  13   0    12     3.921   13466.864     3564.1     3764.4    377.922   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
+    864   1      9  13   0    12     3.921   13466.864     3564.1     3764.4    377.925   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
     865   1     12   9   5    24     3.921   13466.864     1569.1     1657.3    166.387   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
-    866   1     13   9   0    12     3.921   13466.864      103.4      109.2     10.961   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
+    866   1     13   9   0    12     3.921   13466.864      103.4      109.2     10.962   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
     867   1     15   4   3    24     3.921   13466.864      377.8      399.0     40.057   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
     868   1     15   5   0    12     3.921   13466.864      144.3      152.4     15.299   3.921   0.000   0.000  0.648283  0.159820  0.061668  1.000000
-    869   1      6  14   4    24     3.952   13521.057     1034.6      946.2    111.816   3.952   0.000   0.000  0.650892  0.159142  0.060792  1.000000
-    870   1     10  12   2    24     3.952   13521.057     7639.1     6986.0    825.581   3.952   0.000   0.000  0.650892  0.159142  0.060792  1.000000
-    871   1     12  10   2    24     3.952   13521.057      839.7      767.9     90.745   3.952   0.000   0.000  0.650892  0.159142  0.060792  1.000000
-    872   1     14   6   4    24     3.952   13521.057     1758.1     1607.8    190.009   3.952   0.000   0.000  0.650892  0.159142  0.060792  1.000000
-    873   1      7  14   1    24     3.985   13575.910     2694.4     2809.4    329.607   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
-    874   1     10  11   5    24     3.985   13575.910      660.8      689.0     80.836   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
-    875   1     11  10   5    24     3.985   13575.910      408.1      425.5     49.918   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
-    876   1     11  11   2    24     3.985   13575.910     3677.9     3834.8    449.910   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
-    877   1     14   5   5    24     3.985   13575.910     1278.2     1332.8    156.363   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
-    878   1     14   7   1    24     3.985   13575.910     1698.9     1771.4    207.830   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
-    879   1      8  12   6    24     4.017   13631.435      823.4     1423.9    253.796   4.017   0.000   0.000  0.656205  0.157778  0.059062  1.000000
+    869   1      6  14   4    24     3.952   13521.058     1034.6      946.2    111.816   3.952   0.000   0.000  0.650892  0.159142  0.060792  1.000000
+    870   1     10  12   2    24     3.952   13521.058     7639.1     6986.0    825.578   3.952   0.000   0.000  0.650892  0.159142  0.060792  1.000000
+    871   1     12  10   2    24     3.952   13521.058      839.7      767.9     90.745   3.952   0.000   0.000  0.650892  0.159142  0.060792  1.000000
+    872   1     14   6   4    24     3.952   13521.058     1758.2     1607.8    190.007   3.952   0.000   0.000  0.650892  0.159142  0.060792  1.000000
+    873   1      7  14   1    24     3.985   13575.908     2694.5     2809.4    329.614   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
+    874   1     10  11   5    24     3.985   13575.908      660.8      689.0     80.838   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
+    875   1     11  10   5    24     3.985   13575.908      408.1      425.5     49.919   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
+    876   1     11  11   2    24     3.985   13575.908     3678.0     3834.8    449.920   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
+    877   1     14   5   5    24     3.985   13575.908     1278.3     1332.8    156.367   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
+    878   1     14   7   1    24     3.985   13575.908     1699.0     1771.4    207.834   3.985   0.000   0.000  0.653532  0.158462  0.059923  1.000000
+    879   1      8  12   6    24     4.017   13631.435      823.4     1424.0    253.801   4.017   0.000   0.000  0.656205  0.157778  0.059062  1.000000
     880   1     10  12   0    12     4.017   13631.435       13.7       23.7      4.225   4.017   0.000   0.000  0.656205  0.157778  0.059062  1.000000
-    881   1     12   8   6    24     4.017   13631.435     1862.9     3221.6    574.199   4.017   0.000   0.000  0.656205  0.157778  0.059062  1.000000
-    882   1     12  10   0    12     4.017   13631.435      376.5      651.1    116.040   4.017   0.000   0.000  0.656205  0.157778  0.059062  1.000000
-    883   1      4  15   1    24     4.050   13687.646      286.0      345.3     53.537   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
-    884   1      8  13   3    24     4.050   13687.646      166.5      201.0     31.160   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
-    885   1     11  11   0    12     4.050   13687.646      341.2      411.9     63.866   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
-    886   1     12   7   7    24     4.050   13687.646     2328.6     2811.7    435.934   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
-    887   1     13   8   3    24     4.050   13687.646     1253.7     1513.8    234.704   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
-    888   1     15   4   1    24     4.050   13687.646     4201.8     5073.5    786.596   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
-    889   1      3  15   2    24     4.119   13802.188      940.9      908.9    151.621   4.119   0.000   0.000  0.664425  0.155712  0.056518  1.000000
-    890   1      9  11   6    24     4.119   13802.188     1095.0     1057.7    176.450   4.119   0.000   0.000  0.664425  0.155712  0.056518  1.000000
-    891   1     11   9   6    24     4.119   13802.188     1142.0     1103.1    184.027   4.119   0.000   0.000  0.664425  0.155712  0.056518  1.000000
-    892   1     15   3   2    24     4.119   13802.188     5323.4     5142.0    857.827   4.119   0.000   0.000  0.664425  0.155712  0.056518  1.000000
-    893   1      6  14   2    24     4.153   13860.549     1355.8     1199.9    369.599   4.153   0.000   0.000  0.667235  0.155017  0.055685  1.000000
-    894   1     10  10   6    24     4.153   13860.549      376.4      333.1    102.614   4.153   0.000   0.000  0.667235  0.155017  0.055685  1.000000
-    895   1     14   6   2    24     4.153   13860.549     1594.2     1410.9    434.586   4.153   0.000   0.000  0.667235  0.155017  0.055685  1.000000
-    896   1      3  15   0    12     4.189   13919.658      122.6      115.8     13.365   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
-    897   1      7  13   4    24     4.189   13919.658     7409.7     7000.9    807.788   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
-    898   1      8  11   7    24     4.189   13919.658      520.0      491.4     56.694   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
-    899   1      8  13   1    24     4.189   13919.658     1245.0     1176.3    135.722   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
-    900   1      9  12   3    24     4.189   13919.658       28.7       27.1      3.128   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    881   1     12   8   6    24     4.017   13631.435     1862.9     3221.7    574.213   4.017   0.000   0.000  0.656205  0.157778  0.059062  1.000000
+    882   1     12  10   0    12     4.017   13631.435      376.5      651.1    116.043   4.017   0.000   0.000  0.656205  0.157778  0.059062  1.000000
+    883   1      4  15   1    24     4.050   13687.647      286.0      345.3     53.538   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
+    884   1      8  13   3    24     4.050   13687.647      166.5      201.0     31.161   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
+    885   1     11  11   0    12     4.050   13687.647      341.2      411.9     63.867   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
+    886   1     12   7   7    24     4.050   13687.647     2328.7     2811.7    435.939   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
+    887   1     13   8   3    24     4.050   13687.647     1253.7     1513.8    234.708   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
+    888   1     15   4   1    24     4.050   13687.647     4201.8     5073.5    786.606   4.050   0.000   0.000  0.658911  0.157092  0.058207  1.000000
+    889   1      3  15   2    24     4.119   13802.190      940.9      908.8    151.623   4.119   0.000   0.000  0.664425  0.155712  0.056518  1.000000
+    890   1      9  11   6    24     4.119   13802.190     1095.0     1057.7    176.452   4.119   0.000   0.000  0.664425  0.155712  0.056518  1.000000
+    891   1     11   9   6    24     4.119   13802.190     1142.0     1103.1    184.030   4.119   0.000   0.000  0.664425  0.155712  0.056518  1.000000
+    892   1     15   3   2    24     4.119   13802.190     5323.5     5142.0    857.841   4.119   0.000   0.000  0.664425  0.155712  0.056518  1.000000
+    893   1      6  14   2    24     4.153   13860.550     1355.8     1199.9    369.587   4.153   0.000   0.000  0.667235  0.155017  0.055685  1.000000
+    894   1     10  10   6    24     4.153   13860.550      376.4      333.1    102.610   4.153   0.000   0.000  0.667235  0.155017  0.055685  1.000000
+    895   1     14   6   2    24     4.153   13860.550     1594.2     1410.9    434.574   4.153   0.000   0.000  0.667235  0.155017  0.055685  1.000000
+    896   1      3  15   0    12     4.189   13919.657      122.6      115.8     13.365   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    897   1      7  13   4    24     4.189   13919.657     7409.7     7000.9    807.787   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    898   1      8  11   7    24     4.189   13919.657      520.0      491.3     56.694   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    899   1      8  13   1    24     4.189   13919.657     1245.0     1176.3    135.721   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    900   1      9  12   3    24     4.189   13919.657       28.7       27.1      3.128   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    901   1     11   8   7    24     4.189   13919.658      614.1      580.2     66.948   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
-    902   1     12   9   3    24     4.189   13919.658      752.3      710.8     82.014   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
-    903   1     13   7   4    24     4.189   13919.658     1319.4     1246.6    143.837   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
-    904   1     13   8   1    24     4.189   13919.658      465.3      439.6     50.726   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
-    905   1     15   3   0    12     4.189   13919.658     1454.7     1374.4    158.583   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
-    906   1      6  14   0    12     4.225   13979.527      267.8      219.5    237.761   4.225   0.000   0.000  0.672962  0.153619  0.054038  1.000000
-    907   1     14   6   0    12     4.225   13979.527       50.9       41.7     45.141   4.225   0.000   0.000  0.672962  0.153619  0.054038  1.000000
+    901   1     11   8   7    24     4.189   13919.657      614.1      580.2     66.948   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    902   1     12   9   3    24     4.189   13919.657      752.3      710.8     82.014   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    903   1     13   7   4    24     4.189   13919.657     1319.4     1246.6    143.837   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    904   1     13   8   1    24     4.189   13919.657      465.3      439.6     50.725   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    905   1     15   3   0    12     4.189   13919.657     1454.7     1374.4    158.583   4.189   0.000   0.000  0.670080  0.154319  0.054858  1.000000
+    906   1      6  14   0    12     4.225   13979.527      267.8      219.5    237.769   4.225   0.000   0.000  0.672962  0.153619  0.054038  1.000000
+    907   1     14   6   0    12     4.225   13979.527       50.9       41.7     45.142   4.225   0.000   0.000  0.672962  0.153619  0.054038  1.000000
     908   1      2  15   1    24     4.262   14040.176     3442.8     3324.3    201.280   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
-    909   1      5  14   3    24     4.262   14040.176     2327.9     2247.7    136.098   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
+    909   1      5  14   3    24     4.262   14040.176     2327.9     2247.8    136.098   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
     910   1      6  13   5    24     4.262   14040.176     1589.3     1534.5     92.913   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
     911   1      9  10   7    24     4.262   14040.176     4795.5     4630.4    280.364   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
-    912   1     10   9   7    24     4.262   14040.176       50.7       49.0      2.964   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
+    912   1     10   9   7    24     4.262   14040.176       50.7       48.9      2.964   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
     913   1     10  11   3    24     4.262   14040.176      725.1      700.2     42.395   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
-    914   1     11  10   3    24     4.262   14040.176     3329.9     3215.2    194.676   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
+    914   1     11  10   3    24     4.262   14040.176     3329.9     3215.2    194.677   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
     915   1     13   6   5    24     4.262   14040.176     7053.7     6810.8    412.383   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
     916   1     14   5   3    24     4.262   14040.176     2396.8     2314.3    140.127   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
     917   1     15   2   1    24     4.262   14040.176      767.4      741.0     44.866   4.262   0.000   0.000  0.675882  0.152915  0.053226  1.000000
     918   1     10   8   8    24     4.299   14101.621     4049.3     3959.9    432.400   4.299   0.000   0.000  0.678840  0.152208  0.052420  1.000000
     919   1     14   4   4    24     4.299   14101.621     6531.8     6387.6    697.493   4.299   0.000   0.000  0.678840  0.152208  0.052420  1.000000
     920   1      1  15   0    12     4.337   14163.881        4.3        5.6      1.224   4.337   0.000   0.000  0.681837  0.151499  0.051622  1.000000
-    921   1      9   9   8    24     4.337   14163.881      737.4      956.8    210.168   4.337   0.000   0.000  0.681837  0.151499  0.051622  1.000000
-    922   1      9  12   1    24     4.337   14163.881      914.8     1186.9    260.728   4.337   0.000   0.000  0.681837  0.151499  0.051622  1.000000
-    923   1     12   9   1    24     4.337   14163.881     2310.9     2998.5    658.660   4.337   0.000   0.000  0.681837  0.151499  0.051622  1.000000
-    924   1     15   1   0    12     4.337   14163.881      193.8      251.5     55.243   4.337   0.000   0.000  0.681837  0.151499  0.051622  1.000000
-    925   1      8  12   4    24     4.376   14226.972       56.0        0.0    129.793   4.376   0.000   0.000  0.684874  0.150786  0.050830  1.000000
-    926   1     12   8   4    24     4.376   14226.972       57.4        0.0    132.948   4.376   0.000   0.000  0.684874  0.150786  0.050830  1.000000
-    927   1      5  14   1    24     4.415   14290.912     2247.7     2229.3    152.466   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
-    928   1      7  13   2    24     4.415   14290.912      117.4      116.5      7.967   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
-    929   1     10  11   1    24     4.415   14290.912    18005.5    17858.1   1221.336   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
-    930   1     11  10   1    24     4.415   14290.912     3428.0     3399.9    232.525   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
-    931   1     13   7   2    24     4.415   14290.912     3110.3     3084.9    210.976   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
-    932   1     14   5   1    24     4.415   14290.912      268.5      266.3     18.215   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
-    933   1      7  12   5    24     4.496   14421.427     1310.6     1137.0     95.132   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
-    934   1      7  13   0    12     4.496   14421.427        6.0        5.2      0.439   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
-    935   1      9  11   4    24     4.496   14421.427     3652.1     3168.4    265.093   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
-    936   1     11   9   4    24     4.496   14421.427     8021.1     6958.6    582.213   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
-    937   1     12   7   5    24     4.496   14421.427     5906.6     5124.3    428.735   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
-    938   1     13   7   0    12     4.496   14421.427      112.3       97.4      8.152   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
-    939   1      4  14   2    24     4.538   14488.038       62.5       70.5      8.138   4.538   0.000   0.000  0.697442  0.147901  0.047735  1.000000
-    940   1     10  10   4    24     4.538   14488.038     4929.6     5562.7    642.269   4.538   0.000   0.000  0.697442  0.147901  0.047735  1.000000
-    941   1     12   6   6    24     4.538   14488.038     1627.9     1836.9    212.093   4.538   0.000   0.000  0.697442  0.147901  0.047735  1.000000
-    942   1     14   4   2    24     4.538   14488.038     1311.2     1479.6    170.830   4.538   0.000   0.000  0.697442  0.147901  0.047735  1.000000
+    921   1      9   9   8    24     4.337   14163.881      737.4      956.8    210.170   4.337   0.000   0.000  0.681837  0.151499  0.051622  1.000000
+    922   1      9  12   1    24     4.337   14163.881      914.8     1186.9    260.729   4.337   0.000   0.000  0.681837  0.151499  0.051622  1.000000
+    923   1     12   9   1    24     4.337   14163.881     2310.9     2998.5    658.662   4.337   0.000   0.000  0.681837  0.151499  0.051622  1.000000
+    924   1     15   1   0    12     4.337   14163.881      193.8      251.5     55.242   4.337   0.000   0.000  0.681837  0.151499  0.051622  1.000000
+    925   1      8  12   4    24     4.376   14226.972       56.0        0.0    129.800   4.376   0.000   0.000  0.684874  0.150786  0.050830  1.000000
+    926   1     12   8   4    24     4.376   14226.972       57.4        0.0    132.950   4.376   0.000   0.000  0.684874  0.150786  0.050830  1.000000
+    927   1      5  14   1    24     4.415   14290.914     2247.7     2229.3    152.467   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
+    928   1      7  13   2    24     4.415   14290.914      117.4      116.5      7.967   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
+    929   1     10  11   1    24     4.415   14290.914    18005.7    17858.1   1221.346   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
+    930   1     11  10   1    24     4.415   14290.914     3428.0     3399.9    232.526   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
+    931   1     13   7   2    24     4.415   14290.914     3110.3     3084.8    210.978   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
+    932   1     14   5   1    24     4.415   14290.914      268.5      266.3     18.215   4.415   0.000   0.000  0.687952  0.150069  0.050046  1.000000
+    933   1      7  12   5    24     4.496   14421.426     1310.6     1137.0     95.132   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
+    934   1      7  13   0    12     4.496   14421.426        6.0        5.2      0.439   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
+    935   1      9  11   4    24     4.496   14421.426     3652.2     3168.4    265.096   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
+    936   1     11   9   4    24     4.496   14421.426     8021.1     6958.7    582.217   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
+    937   1     12   7   5    24     4.496   14421.426     5906.6     5124.3    428.740   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
+    938   1     13   7   0    12     4.496   14421.426      112.3       97.4      8.152   4.496   0.000   0.000  0.694235  0.148627  0.048498  1.000000
+    939   1      4  14   2    24     4.538   14488.040       62.5       70.5      8.138   4.538   0.000   0.000  0.697442  0.147901  0.047735  1.000000
+    940   1     10  10   4    24     4.538   14488.040     4929.5     5562.7    642.260   4.538   0.000   0.000  0.697442  0.147901  0.047735  1.000000
+    941   1     12   6   6    24     4.538   14488.040     1627.8     1836.9    212.089   4.538   0.000   0.000  0.697442  0.147901  0.047735  1.000000
+    942   1     14   4   2    24     4.538   14488.040     1311.1     1479.6    170.828   4.538   0.000   0.000  0.697442  0.147901  0.047735  1.000000
     943   1      6  13   3    24     4.580   14555.582     1194.0      947.9    160.304   4.580   0.000   0.000  0.700693  0.147172  0.046978  1.000000
-    944   1     13   6   3    24     4.580   14555.582     1792.4     1423.0    240.648   4.580   0.000   0.000  0.700693  0.147172  0.046978  1.000000
+    944   1     13   6   3    24     4.580   14555.582     1792.4     1423.0    240.647   4.580   0.000   0.000  0.700693  0.147172  0.046978  1.000000
     945   1     14   3   3    24     4.580   14555.582     4604.5     3655.5    618.197   4.580   0.000   0.000  0.700693  0.147172  0.046978  1.000000
-    946   1      4  14   0    12     4.624   14624.079     6703.3     7175.0    761.146   4.624   0.000   0.000  0.703990  0.146439  0.046229  1.000000
-    947   1      8  12   2    24     4.624   14624.079      427.0      457.0     48.480   4.624   0.000   0.000  0.703990  0.146439  0.046229  1.000000
-    948   1     12   8   2    24     4.624   14624.079     2225.6     2382.2    252.709   4.624   0.000   0.000  0.703990  0.146439  0.046229  1.000000
-    949   1     14   4   0    12     4.624   14624.079      802.7      859.2     91.148   4.624   0.000   0.000  0.703990  0.146439  0.046229  1.000000
-    950   1      5  13   4    24     4.668   14693.553     2561.8     2070.8    623.166   4.668   0.000   0.000  0.707335  0.145703  0.045487  1.000000
-    951   1      8  11   5    24     4.668   14693.553      972.6      786.2    236.592   4.668   0.000   0.000  0.707335  0.145703  0.045487  1.000000
+    946   1      4  14   0    12     4.624   14624.080     6703.4     7175.0    761.149   4.624   0.000   0.000  0.703990  0.146439  0.046229  1.000000
+    947   1      8  12   2    24     4.624   14624.080      427.0      457.0     48.480   4.624   0.000   0.000  0.703990  0.146439  0.046229  1.000000
+    948   1     12   8   2    24     4.624   14624.080     2225.6     2382.2    252.711   4.624   0.000   0.000  0.703990  0.146439  0.046229  1.000000
+    949   1     14   4   0    12     4.624   14624.080      802.7      859.2     91.149   4.624   0.000   0.000  0.703990  0.146439  0.046229  1.000000
+    950   1      5  13   4    24     4.668   14693.553     2561.8     2070.7    623.163   4.668   0.000   0.000  0.707335  0.145703  0.045487  1.000000
+    951   1      8  11   5    24     4.668   14693.553      972.6      786.2    236.590   4.668   0.000   0.000  0.707335  0.145703  0.045487  1.000000
     952   1     11   8   5    24     4.668   14693.553      175.1      141.6     42.603   4.668   0.000   0.000  0.707335  0.145703  0.045487  1.000000
     953   1     13   5   4    24     4.668   14693.553      392.9      317.6     95.575   4.668   0.000   0.000  0.707335  0.145703  0.045487  1.000000
-    954   1      8  12   0    12     4.713   14764.026      703.6        0.0    527.084   4.713   0.000   0.000  0.710727  0.144963  0.044752  1.000000
-    955   1     12   8   0    12     4.713   14764.026      130.0        0.0     97.360   4.713   0.000   0.000  0.710727  0.144963  0.044752  1.000000
+    954   1      8  12   0    12     4.713   14764.026      703.6        0.0    527.083   4.713   0.000   0.000  0.710727  0.144963  0.044752  1.000000
+    955   1     12   8   0    12     4.713   14764.026      130.0        0.0     97.359   4.713   0.000   0.000  0.710727  0.144963  0.044752  1.000000
     956   1      3  14   1    24     4.758   14835.523     7001.7     6540.5    332.261   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
     957   1      6  13   1    24     4.758   14835.523     5980.1     5586.1    283.781   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
-    958   1      7  11   6    24     4.758   14835.523     2332.1     2178.5    110.667   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
-    959   1      9  10   5    24     4.758   14835.523     3908.5     3651.0    185.474   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
+    958   1      7  11   6    24     4.758   14835.523     2332.1     2178.4    110.667   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
+    959   1      9  10   5    24     4.758   14835.523     3908.5     3651.0    185.475   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
     960   1      9  11   2    24     4.758   14835.523       35.7       33.4      1.696   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-    961   1     10   9   5    24     4.758   14835.523     6647.1     6209.3    315.436   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
+    961   1     10   9   5    24     4.758   14835.523     6647.1     6209.2    315.435   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
     962   1     11   7   6    24     4.758   14835.523       90.3       84.3      4.283   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
     963   1     11   9   2    24     4.758   14835.523     1210.1     1130.4     57.423   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
     964   1     13   6   1    24     4.758   14835.523      745.5      696.3     35.375   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
-    965   1     14   3   1    24     4.758   14835.523     3047.1     2846.4    144.600   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
+    965   1     14   3   1    24     4.758   14835.523     3047.1     2846.4    144.599   4.758   0.000   0.000  0.714169  0.144220  0.044024  1.000000
     966   1     10  10   2    24     4.805   14908.069      378.6      383.3     41.092   4.805   0.000   0.000  0.717661  0.143473  0.043302  1.000000
-    967   1     14   2   2    24     4.805   14908.069     7928.6     8027.2    860.621   4.805   0.000   0.000  0.717661  0.143473  0.043302  1.000000
-    968   1      7  12   3    24     4.853   14981.691     3800.8     4183.8    369.352   4.853   0.000   0.000  0.721206  0.142722  0.042588  1.000000
-    969   1      9  11   0    12     4.853   14981.691     1769.0     1947.2    171.902   4.853   0.000   0.000  0.721206  0.142722  0.042588  1.000000
-    970   1     11   9   0    12     4.853   14981.691     1514.2     1666.7    147.141   4.853   0.000   0.000  0.721206  0.142722  0.042588  1.000000
-    971   1     12   7   3    24     4.853   14981.691     4003.3     4406.6    389.022   4.853   0.000   0.000  0.721206  0.142722  0.042588  1.000000
-    972   1      2  14   0    12     4.901   15056.410       19.3       16.9      1.471   4.901   0.000   0.000  0.724802  0.141968  0.041881  1.000000
-    973   1      8  10   6    24     4.901   15056.410      377.9      330.0     28.758   4.901   0.000   0.000  0.724802  0.141968  0.041881  1.000000
-    974   1     10   8   6    24     4.901   15056.410     7177.7     6267.7    546.200   4.901   0.000   0.000  0.724802  0.141968  0.041881  1.000000
-    975   1     10  10   0    12     4.901   15056.410        2.0        1.8      0.154   4.901   0.000   0.000  0.724802  0.141968  0.041881  1.000000
-    976   1     14   2   0    12     4.901   15056.410     6353.1     5547.6    483.451   4.901   0.000   0.000  0.724802  0.141968  0.041881  1.000000
-    977   1      5  13   2    24     4.951   15132.264     1608.8     2365.0     88.657   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
-    978   1      9   9   6    24     4.951   15132.264     8285.1    12179.6    456.579   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
-    979   1     10   7   7    24     4.951   15132.264     2599.9     3822.0    143.276   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
-    980   1     13   5   2    24     4.951   15132.264    10895.9    16017.6    600.456   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
-    981   1     14   1   1    24     4.951   15132.264      915.5     1345.8     50.452   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
-    982   1      6  12   4    24     5.001   15209.272     3987.0     5907.2    474.184   5.001   0.000   0.000  0.732161  0.140448  0.040488  1.000000
+    967   1     14   2   2    24     4.805   14908.069     7928.6     8027.1    860.606   4.805   0.000   0.000  0.717661  0.143473  0.043302  1.000000
+    968   1      7  12   3    24     4.853   14981.688     3800.9     4183.8    369.367   4.853   0.000   0.000  0.721205  0.142722  0.042588  1.000000
+    969   1      9  11   0    12     4.853   14981.688     1769.0     1947.2    171.909   4.853   0.000   0.000  0.721205  0.142722  0.042588  1.000000
+    970   1     11   9   0    12     4.853   14981.688     1514.2     1666.7    147.147   4.853   0.000   0.000  0.721205  0.142722  0.042588  1.000000
+    971   1     12   7   3    24     4.853   14981.688     4003.4     4406.7    389.040   4.853   0.000   0.000  0.721205  0.142722  0.042588  1.000000
+    972   1      2  14   0    12     4.901   15056.413       19.3       16.9      1.471   4.901   0.000   0.000  0.724803  0.141968  0.041881  1.000000
+    973   1      8  10   6    24     4.901   15056.413      377.9      330.0     28.758   4.901   0.000   0.000  0.724803  0.141968  0.041881  1.000000
+    974   1     10   8   6    24     4.901   15056.413     7177.8     6267.7    546.203   4.901   0.000   0.000  0.724803  0.141968  0.041881  1.000000
+    975   1     10  10   0    12     4.901   15056.413        2.0        1.8      0.154   4.901   0.000   0.000  0.724803  0.141968  0.041881  1.000000
+    976   1     14   2   0    12     4.901   15056.413     6353.2     5547.7    483.454   4.901   0.000   0.000  0.724803  0.141968  0.041881  1.000000
+    977   1      5  13   2    24     4.951   15132.264     1608.8     2365.0     88.656   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
+    978   1      9   9   6    24     4.951   15132.264     8285.1    12179.5    456.576   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
+    979   1     10   7   7    24     4.951   15132.264     2599.9     3822.0    143.275   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
+    980   1     13   5   2    24     4.951   15132.264    10895.9    16017.5    600.454   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
+    981   1     14   1   1    24     4.951   15132.264      915.5     1345.8     50.451   4.951   0.000   0.000  0.728454  0.141210  0.041181  1.000000
+    982   1      6  12   4    24     5.001   15209.272     3987.0     5907.2    474.183   5.001   0.000   0.000  0.732161  0.140448  0.040488  1.000000
     983   1     12   6   4    24     5.001   15209.272     2660.4     3941.6    316.404   5.001   0.000   0.000  0.732161  0.140448  0.040488  1.000000
     984   1     14   0   0     6     5.001   15209.272      387.4      574.0     46.080   5.001   0.000   0.000  0.732161  0.140448  0.040488  1.000000
     985   1      4  13   3    24     5.053   15287.470     1508.3     1628.1     43.771   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
     986   1      5  13   0    12     5.053   15287.470     3620.7     3908.1    105.069   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
-    987   1      7  12   1    24     5.053   15287.470      905.8      977.6     26.284   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    987   1      7  12   1    24     5.053   15287.470      905.7      977.6     26.284   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
     988   1      8   9   7    24     5.053   15287.470     3220.5     3476.1     93.455   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
     989   1      8  11   3    24     5.053   15287.470     5943.4     6415.2    172.472   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
     990   1      9   8   7    24     5.053   15287.470     1709.8     1845.6     49.618   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
     991   1     11   8   3    24     5.053   15287.470     3517.8     3797.0    102.083   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
-    992   1     12   5   5    24     5.053   15287.470    10896.3    11761.3    316.202   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
-    993   1     12   7   1    24     5.053   15287.470    16418.9    17722.3    476.464   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
-    994   1     13   4   3    24     5.053   15287.470     4712.6     5086.7    136.755   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    992   1     12   5   5    24     5.053   15287.470    10896.3    11761.3    316.203   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    993   1     12   7   1    24     5.053   15287.470    16419.0    17722.3    476.464   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
+    994   1     13   4   3    24     5.053   15287.470     4712.6     5086.6    136.755   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
     995   1     13   5   0    12     5.053   15287.470        0.0        0.0      0.001   5.053   0.000   0.000  0.735925  0.139682  0.039802  1.000000
-    996   1      8   8   8     8     5.105   15366.886    10358.8    11426.6    863.082   5.105   0.000   0.000  0.739748  0.138912  0.039124  1.000000
-    997   1      9  10   3    24     5.159   15447.552     5037.8     6753.3    948.335   5.159   0.000   0.000  0.743632  0.138138  0.038452  1.000000
-    998   1     10   9   3    24     5.159   15447.552     1313.1     1760.3    247.189   5.159   0.000   0.000  0.743632  0.138138  0.038452  1.000000
-    999   1      4  13   1    24     5.270   15612.771     4414.7     4771.3    216.607   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
-   1000   1      7  11   4    24     5.270   15612.771      516.7      558.4     25.350   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
-   1001   1      8  11   1    24     5.270   15612.771     7941.4     8582.9    389.646   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
-   1002   1     11   7   4    24     5.270   15612.771      671.2      725.4     32.933   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
-   1003   1     11   8   1    24     5.270   15612.771     2466.1     2665.3    120.999   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
-   1004   1     13   4   1    24     5.270   15612.771    10648.6    11508.7    522.470   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
-   1005   1      6  12   2    24     5.327   15697.394     6031.1     6939.4    490.029   5.327   0.000   0.000  0.755659  0.135792  0.036478  1.000000
-   1006   1     12   6   2    24     5.327   15697.394     4421.0     5086.8    359.207   5.327   0.000   0.000  0.755659  0.135792  0.036478  1.000000
+    996   1      8   8   8     8     5.105   15366.886    10358.8    11426.6    863.089   5.105   0.000   0.000  0.739748  0.138912  0.039124  1.000000
+    997   1      9  10   3    24     5.159   15447.554     5037.9     6753.3    948.352   5.159   0.000   0.000  0.743632  0.138138  0.038452  1.000000
+    998   1     10   9   3    24     5.159   15447.554     1313.1     1760.3    247.192   5.159   0.000   0.000  0.743632  0.138138  0.038452  1.000000
+    999   1      4  13   1    24     5.270   15612.772     4414.7     4771.3    216.605   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
+   1000   1      7  11   4    24     5.270   15612.772      516.7      558.4     25.350   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
+   1001   1      8  11   1    24     5.270   15612.772     7941.4     8583.0    389.643   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
+   1002   1     11   7   4    24     5.270   15612.772      671.2      725.4     32.933   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
+   1003   1     11   8   1    24     5.270   15612.772     2466.1     2665.3    120.998   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
+   1004   1     13   4   1    24     5.270   15612.772    10648.5    11508.7    522.465   5.270   0.000   0.000  0.751585  0.136578  0.037129  1.000000
+   1005   1      6  12   2    24     5.327   15697.394     6031.1     6939.4    490.027   5.327   0.000   0.000  0.755659  0.135792  0.036478  1.000000
+   1006   1     12   6   2    24     5.327   15697.394     4421.0     5086.8    359.205   5.327   0.000   0.000  0.755659  0.135792  0.036478  1.000000
    1007   1      3  13   2    24     5.386   15783.408    13839.8    14105.6    300.465   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
-   1008   1      6  11   5    24     5.386   15783.408    35972.5    36663.3    780.968   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
+   1008   1      6  11   5    24     5.386   15783.408    35972.5    36663.4    780.971   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
    1009   1      9  10   1    24     5.386   15783.408      429.3      437.5      9.319   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
-   1010   1     10   9   1    24     5.386   15783.408     1081.6     1102.3     23.481   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
+   1010   1     10   9   1    24     5.386   15783.408     1081.6     1102.4     23.481   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
    1011   1     11   6   5    24     5.386   15783.408    10289.5    10487.1    223.387   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
-   1012   1     13   3   2    24     5.386   15783.408     5471.2     5576.3    118.781   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
-   1013   1      6  12   0    12     5.446   15870.851     2936.9     3332.7     69.839   5.446   0.000   0.000  0.764009  0.134207  0.035198  1.000000
-   1014   1      8  10   4    24     5.446   15870.851    20079.8    22786.1    477.500   5.446   0.000   0.000  0.764009  0.134207  0.035198  1.000000
-   1015   1     10   8   4    24     5.446   15870.851    21240.0    24102.6    505.090   5.446   0.000   0.000  0.764009  0.134207  0.035198  1.000000
-   1016   1     12   6   0    12     5.446   15870.851    12539.0    14229.0    298.180   5.446   0.000   0.000  0.764009  0.134207  0.035198  1.000000
-   1017   1      3  13   0    12     5.507   15959.764     4250.3     4713.5    179.030   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
-   1018   1      5  12   3    24     5.507   15959.764     1465.1     1624.7     61.711   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
-   1019   1      9   9   4    24     5.507   15959.764    10279.2    11399.4    432.974   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
-   1020   1     12   5   3    24     5.507   15959.764    10310.6    11434.3    434.299   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
+   1012   1     13   3   2    24     5.386   15783.408     5471.2     5576.3    118.782   5.386   0.000   0.000  0.759799  0.135002  0.035835  1.000000
+   1013   1      6  12   0    12     5.446   15870.852     2936.9     3332.7     69.839   5.446   0.000   0.000  0.764009  0.134207  0.035198  1.000000
+   1014   1      8  10   4    24     5.446   15870.852    20079.9    22786.1    477.503   5.446   0.000   0.000  0.764009  0.134207  0.035198  1.000000
+   1015   1     10   8   4    24     5.446   15870.852    21240.1    24102.7    505.093   5.446   0.000   0.000  0.764009  0.134207  0.035198  1.000000
+   1016   1     12   6   0    12     5.446   15870.852    12539.1    14229.0    298.182   5.446   0.000   0.000  0.764009  0.134207  0.035198  1.000000
+   1017   1      3  13   0    12     5.507   15959.765     4250.3     4713.5    179.029   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
+   1018   1      5  12   3    24     5.507   15959.765     1465.1     1624.7     61.710   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
+   1019   1      9   9   4    24     5.507   15959.765    10279.1    11399.3    432.972   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
+   1020   1     12   5   3    24     5.507   15959.765    10310.6    11434.2    434.298   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-   1021   1     13   3   0    12     5.507   15959.764       48.6       53.9      2.046   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
-   1022   1     12   4   4    24     5.569   16050.188     1842.1     3402.3    457.118   5.569   0.000   0.000  0.772642  0.132603  0.033946  1.000000
+   1021   1     13   3   0    12     5.507   15959.765       48.6       53.9      2.046   5.507   0.000   0.000  0.768289  0.133407  0.034568  1.000000
+   1022   1     12   4   4    24     5.569   16050.188     1842.1     3402.2    457.111   5.569   0.000   0.000  0.772642  0.132603  0.033946  1.000000
    1023   1      2  13   1    24     5.633   16142.168    10615.9    11397.7    275.677   5.633   0.000   0.000  0.777070  0.131795  0.033330  1.000000
    1024   1      7  10   5    24     5.633   16142.168     6289.8     6753.0    163.335   5.633   0.000   0.000  0.777070  0.131795  0.033330  1.000000
    1025   1      7  11   2    24     5.633   16142.168    11535.6    12385.2    299.561   5.633   0.000   0.000  0.777070  0.131795  0.033330  1.000000
-   1026   1     10   7   5    24     5.633   16142.168    13005.4    13963.2    337.729   5.633   0.000   0.000  0.777070  0.131795  0.033330  1.000000
+   1026   1     10   7   5    24     5.633   16142.168    13005.4    13963.2    337.728   5.633   0.000   0.000  0.777070  0.131795  0.033330  1.000000
    1027   1     11   7   2    24     5.633   16142.168     8892.2     9547.1    230.915   5.633   0.000   0.000  0.777070  0.131795  0.033330  1.000000
-   1028   1     13   2   1    24     5.633   16142.168     8710.0     9351.5    226.184   5.633   0.000   0.000  0.777070  0.131795  0.033330  1.000000
-   1029   1     10   6   6    24     5.699   16235.745     1697.4     2567.0    315.400   5.699   0.000   0.000  0.781575  0.130982  0.032721  1.000000
+   1028   1     13   2   1    24     5.633   16142.168     8710.0     9351.4    226.183   5.633   0.000   0.000  0.777070  0.131795  0.033330  1.000000
+   1029   1     10   6   6    24     5.699   16235.747     1697.4     2567.1    315.405   5.699   0.000   0.000  0.781575  0.130982  0.032721  1.000000
    1030   1      1  13   0    12     5.766   16330.971        2.2        2.4      0.073   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
    1031   1      5  12   1    24     5.766   16330.971     2933.6     3154.1     95.397   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
    1032   1      7  11   0    12     5.766   16330.971     5472.2     5883.4    177.947   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
-   1033   1      8   9   5    24     5.766   16330.971     6803.4     7314.7    221.235   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
-   1034   1      9   8   5    24     5.766   16330.971     6482.3     6969.4    210.792   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
-   1035   1     11   7   0    12     5.766   16330.971     3745.0     4026.4    121.782   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
+   1033   1      8   9   5    24     5.766   16330.971     6803.4     7314.6    221.234   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
+   1034   1      9   8   5    24     5.766   16330.971     6482.2     6969.4    210.792   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
+   1035   1     11   7   0    12     5.766   16330.971     3745.0     4026.5    121.782   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
    1036   1     12   5   1    24     5.766   16330.971    12736.9    13694.1    414.183   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
    1037   1     13   1   0    12     5.766   16330.971        6.7        7.2      0.217   5.766   0.000   0.000  0.786159  0.130164  0.032120  1.000000
    1038   1      8  10   2    24     5.835   16427.893     5173.9     6175.0    357.367   5.835   0.000   0.000  0.790824  0.129341  0.031525  1.000000
-   1039   1     10   8   2    24     5.835   16427.893     6917.8     8256.2    477.819   5.835   0.000   0.000  0.790824  0.129341  0.031525  1.000000
+   1039   1     10   8   2    24     5.835   16427.893     6917.7     8256.2    477.819   5.835   0.000   0.000  0.790824  0.129341  0.031525  1.000000
    1040   1      6  11   3    24     5.905   16526.559     1178.7     1289.6     68.276   5.905   0.000   0.000  0.795574  0.128514  0.030938  1.000000
    1041   1      7   9   6    24     5.905   16526.559      911.7      997.5     52.811   5.905   0.000   0.000  0.795574  0.128514  0.030938  1.000000
    1042   1      9   7   6    24     5.905   16526.559     6538.0     7153.1    378.706   5.905   0.000   0.000  0.795574  0.128514  0.030938  1.000000
    1043   1      9   9   2    24     5.905   16526.559     3332.0     3645.5    193.004   5.905   0.000   0.000  0.795574  0.128514  0.030938  1.000000
    1044   1     11   6   3    24     5.905   16526.559     4041.3     4421.5    234.090   5.905   0.000   0.000  0.795574  0.128514  0.030938  1.000000
-   1045   1      4  12   2    24     5.977   16627.025    23961.4    23252.7    635.143   5.977   0.000   0.000  0.800411  0.127681  0.030358  1.000000
-   1046   1      8   8   6    24     5.977   16627.025     3546.9     3442.0     94.018   5.977   0.000   0.000  0.800411  0.127681  0.030358  1.000000
-   1047   1      8  10   0    12     5.977   16627.025     1101.8     1069.2     29.204   5.977   0.000   0.000  0.800411  0.127681  0.030358  1.000000
-   1048   1     10   8   0    12     5.977   16627.025     8273.1     8028.4    219.295   5.977   0.000   0.000  0.800411  0.127681  0.030358  1.000000
-   1049   1     12   4   2    24     5.977   16627.025     7117.8     6907.3    188.672   5.977   0.000   0.000  0.800411  0.127681  0.030358  1.000000
-   1050   1      5  11   4    24     6.051   16729.346    12887.2    14558.5    561.660   6.051   0.000   0.000  0.805336  0.126844  0.029784  1.000000
+   1045   1      4  12   2    24     5.977   16627.025    23961.4    23252.8    635.143   5.977   0.000   0.000  0.800410  0.127681  0.030358  1.000000
+   1046   1      8   8   6    24     5.977   16627.025     3546.9     3442.0     94.018   5.977   0.000   0.000  0.800410  0.127681  0.030358  1.000000
+   1047   1      8  10   0    12     5.977   16627.025     1101.8     1069.2     29.204   5.977   0.000   0.000  0.800410  0.127681  0.030358  1.000000
+   1048   1     10   8   0    12     5.977   16627.025     8273.1     8028.4    219.295   5.977   0.000   0.000  0.800410  0.127681  0.030358  1.000000
+   1049   1     12   4   2    24     5.977   16627.025     7117.8     6907.3    188.672   5.977   0.000   0.000  0.800410  0.127681  0.030358  1.000000
+   1050   1      5  11   4    24     6.051   16729.346    12887.2    14558.5    561.661   6.051   0.000   0.000  0.805336  0.126844  0.029784  1.000000
    1051   1      8   7   7    24     6.051   16729.346      656.3      741.4     28.602   6.051   0.000   0.000  0.805336  0.126844  0.029784  1.000000
    1052   1      9   9   0    12     6.051   16729.346      207.0      233.9      9.024   6.051   0.000   0.000  0.805336  0.126844  0.029784  1.000000
-   1053   1     11   5   4    24     6.051   16729.346     2046.4     2311.7     89.186   6.051   0.000   0.000  0.805336  0.126844  0.029784  1.000000
-   1054   1     12   3   3    24     6.051   16729.346     5724.2     6466.5    249.475   6.051   0.000   0.000  0.805336  0.126844  0.029784  1.000000
-   1055   1      4  12   0    12     6.126   16833.580     4805.0     4828.1    327.771   6.126   0.000   0.000  0.810354  0.126001  0.029218  1.000000
-   1056   1     12   4   0    12     6.126   16833.580     7025.5     7059.3    479.242   6.126   0.000   0.000  0.810354  0.126001  0.029218  1.000000
+   1053   1     11   5   4    24     6.051   16729.346     2046.4     2311.8     89.187   6.051   0.000   0.000  0.805336  0.126844  0.029784  1.000000
+   1054   1     12   3   3    24     6.051   16729.346     5724.2     6466.5    249.474   6.051   0.000   0.000  0.805336  0.126844  0.029784  1.000000
+   1055   1      4  12   0    12     6.126   16833.580     4805.0     4828.1    327.770   6.126   0.000   0.000  0.810354  0.126001  0.029218  1.000000
+   1056   1     12   4   0    12     6.126   16833.580     7025.6     7059.3    479.242   6.126   0.000   0.000  0.810354  0.126001  0.029218  1.000000
    1057   1      6  11   1    24     6.204   16939.787    29423.2    28921.1   1026.880   6.204   0.000   0.000  0.815467  0.125153  0.028659  1.000000
    1058   1      7  10   3    24     6.204   16939.787     2156.5     2119.7     75.264   6.204   0.000   0.000  0.815467  0.125153  0.028659  1.000000
    1059   1     10   7   3    24     6.204   16939.787     4863.4     4780.4    169.735   6.204   0.000   0.000  0.815467  0.125153  0.028659  1.000000
    1060   1     11   6   1    24     6.204   16939.787     2644.7     2599.5     92.300   6.204   0.000   0.000  0.815467  0.125153  0.028659  1.000000
    1061   1      3  12   1    24     6.365   17158.373      130.0      114.5      8.473   6.365   0.000   0.000  0.825989  0.123440  0.027561  1.000000
    1062   1      8   9   3    24     6.365   17158.373      301.7      265.7     19.659   6.365   0.000   0.000  0.825989  0.123440  0.027561  1.000000
-   1063   1      9   8   3    24     6.365   17158.373     3780.5     3329.6    246.345   6.365   0.000   0.000  0.825989  0.123440  0.027561  1.000000
+   1063   1      9   8   3    24     6.365   17158.373     3780.5     3329.6    246.346   6.365   0.000   0.000  0.825989  0.123440  0.027561  1.000000
    1064   1     12   3   1    24     6.365   17158.373    10293.0     9065.2    670.705   6.365   0.000   0.000  0.825989  0.123440  0.027561  1.000000
-   1065   1      6  10   4    24     6.449   17270.889     3212.9     2370.5    186.410   6.449   0.000   0.000  0.831405  0.122575  0.027023  1.000000
-   1066   1     10   6   4    24     6.449   17270.889     8280.4     6109.4    480.426   6.449   0.000   0.000  0.831405  0.122575  0.027023  1.000000
-   1067   1     12   2   2    24     6.449   17270.889     2303.8     1699.8    133.666   6.449   0.000   0.000  0.831405  0.122575  0.027023  1.000000
+   1065   1      6  10   4    24     6.449   17270.889     3212.9     2370.5    186.410   6.449   0.000   0.000  0.831406  0.122575  0.027023  1.000000
+   1066   1     10   6   4    24     6.449   17270.889     8280.4     6109.5    480.428   6.449   0.000   0.000  0.831406  0.122575  0.027023  1.000000
+   1067   1     12   2   2    24     6.449   17270.889     2303.8     1699.8    133.665   6.449   0.000   0.000  0.831406  0.122575  0.027023  1.000000
    1068   1      5  11   2    24     6.535   17385.646     8489.8     9021.8    166.892   6.535   0.000   0.000  0.836930  0.121705  0.026492  1.000000
    1069   1      7  10   1    24     6.535   17385.646    20705.0    22002.3    407.016   6.535   0.000   0.000  0.836930  0.121705  0.026492  1.000000
    1070   1     10   5   5    24     6.535   17385.646    12308.5    13079.7    241.959   6.535   0.000   0.000  0.836930  0.121705  0.026492  1.000000
-   1071   1     10   7   1    24     6.535   17385.646    23426.1    24893.9    460.507   6.535   0.000   0.000  0.836930  0.121705  0.026492  1.000000
+   1071   1     10   7   1    24     6.535   17385.646    23426.1    24893.9    460.508   6.535   0.000   0.000  0.836930  0.121705  0.026492  1.000000
    1072   1     11   5   2    24     6.535   17385.646      893.1      949.1     17.557   6.535   0.000   0.000  0.836930  0.121705  0.026492  1.000000
-   1073   1      2  12   0    12     6.623   17502.723     2268.3     3202.0    273.569   6.623   0.000   0.000  0.842566  0.120829  0.025968  1.000000
-   1074   1     12   2   0    12     6.623   17502.723     1158.0     1634.7    139.662   6.623   0.000   0.000  0.842566  0.120829  0.025968  1.000000
+   1073   1      2  12   0    12     6.623   17502.725     2268.3     3202.0    273.575   6.623   0.000   0.000  0.842566  0.120829  0.025968  1.000000
+   1074   1     12   2   0    12     6.623   17502.725     1158.0     1634.7    139.665   6.623   0.000   0.000  0.842566  0.120829  0.025968  1.000000
    1075   1      4  11   3    24     6.714   17622.197     1846.1     1908.6     77.331   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
-   1076   1      5  11   0    12     6.714   17622.197     2868.9     2966.0    120.178   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
-   1077   1      7   9   4    24     6.714   17622.197     6707.8     6934.8    280.984   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
-   1078   1      8   9   1    24     6.714   17622.197     1454.3     1503.6     60.922   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
+   1076   1      5  11   0    12     6.714   17622.197     2868.9     2966.0    120.177   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
+   1077   1      7   9   4    24     6.714   17622.197     6707.7     6934.8    280.982   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
+   1078   1      8   9   1    24     6.714   17622.197     1454.4     1503.6     60.922   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
    1079   1      9   7   4    24     6.714   17622.197     1123.1     1161.1     47.044   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
-   1080   1      9   8   1    24     6.714   17622.197     2637.0     2726.2    110.461   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
+   1080   1      9   8   1    24     6.714   17622.197     2637.0     2726.2    110.460   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
    1081   1     11   4   3    24     6.714   17622.197      899.0      929.4     37.658   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
    1082   1     11   5   0    12     6.714   17622.197      214.1      221.4      8.970   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
    1083   1     12   1   1    24     6.714   17622.197     3586.3     3707.7    150.227   6.714   0.000   0.000  0.848317  0.119947  0.025450  1.000000
-   1084   1      8   8   4    24     6.807   17744.152    82118.9    88241.3   1212.386   6.807   0.000   0.000  0.854188  0.119059  0.024940  1.000000
-   1085   1     12   0   0     6     6.807   17744.152     7597.4     8163.8    112.166   6.807   0.000   0.000  0.854188  0.119059  0.024940  1.000000
+   1084   1      8   8   4    24     6.807   17744.150    82119.2    88241.2   1212.391   6.807   0.000   0.000  0.854188  0.119059  0.024940  1.000000
+   1085   1     12   0   0     6     6.807   17744.150     7597.4     8163.8    112.167   6.807   0.000   0.000  0.854188  0.119059  0.024940  1.000000
    1086   1      6   9   5    24     6.903   17868.672      132.9      284.8      9.413   6.903   0.000   0.000  0.860182  0.118164  0.024437  1.000000
-   1087   1      9   6   5    24     6.903   17868.672     8412.0    18025.5    595.722   6.903   0.000   0.000  0.860182  0.118164  0.024437  1.000000
-   1088   1      6  10   2    24     7.002   17995.854     6452.1    10265.8    435.428   7.002   0.000   0.000  0.866305  0.117264  0.023941  1.000000
-   1089   1     10   6   2    24     7.002   17995.854     5832.4     9279.7    393.604   7.002   0.000   0.000  0.866305  0.117264  0.023941  1.000000
-   1090   1      4  11   1    24     7.103   18125.787     4371.8     5791.6    198.028   7.103   0.000   0.000  0.872560  0.116357  0.023452  1.000000
-   1091   1      7   8   5    24     7.103   18125.787     6647.6     8806.5    301.112   7.103   0.000   0.000  0.872560  0.116357  0.023452  1.000000
-   1092   1      8   7   5    24     7.103   18125.787     6453.5     8549.3    292.319   7.103   0.000   0.000  0.872560  0.116357  0.023452  1.000000
-   1093   1     11   4   1    24     7.103   18125.787     2137.1     2831.1     96.802   7.103   0.000   0.000  0.872560  0.116357  0.023452  1.000000
+   1087   1      9   6   5    24     6.903   17868.672     8412.0    18026.0    595.736   6.903   0.000   0.000  0.860182  0.118164  0.024437  1.000000
+   1088   1      6  10   2    24     7.002   17995.855     6452.1    10265.7    435.430   7.002   0.000   0.000  0.866305  0.117264  0.023941  1.000000
+   1089   1     10   6   2    24     7.002   17995.855     5832.4     9279.6    393.605   7.002   0.000   0.000  0.866305  0.117264  0.023941  1.000000
+   1090   1      4  11   1    24     7.103   18125.789     4371.8     5791.6    198.027   7.103   0.000   0.000  0.872560  0.116357  0.023452  1.000000
+   1091   1      7   8   5    24     7.103   18125.789     6647.6     8806.5    301.109   7.103   0.000   0.000  0.872560  0.116357  0.023452  1.000000
+   1092   1      8   7   5    24     7.103   18125.789     6453.5     8549.3    292.316   7.103   0.000   0.000  0.872560  0.116357  0.023452  1.000000
+   1093   1     11   4   1    24     7.103   18125.789     2137.1     2831.1     96.802   7.103   0.000   0.000  0.872560  0.116357  0.023452  1.000000
    1094   1      6  10   0    12     7.207   18258.582      729.9      873.6     34.928   7.207   0.000   0.000  0.878952  0.115443  0.022971  1.000000
-   1095   1      8   6   6    24     7.207   18258.582    11129.9    13321.3    532.588   7.207   0.000   0.000  0.878952  0.115443  0.022971  1.000000
+   1095   1      8   6   6    24     7.207   18258.582    11129.8    13321.3    532.586   7.207   0.000   0.000  0.878952  0.115443  0.022971  1.000000
    1096   1     10   6   0    12     7.207   18258.582     4650.3     5565.9    222.525   7.207   0.000   0.000  0.878952  0.115443  0.022971  1.000000
    1097   1      3  11   2    24     7.315   18394.334     1489.3     1510.6     33.805   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
-   1098   1      5  10   3    24     7.315   18394.334     6136.9     6224.8    139.303   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
+   1098   1      5  10   3    24     7.315   18394.334     6136.9     6224.8    139.302   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
    1099   1      7   7   6    24     7.315   18394.334     5574.1     5653.9    126.527   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
-   1100   1      7   9   2    24     7.315   18394.334    23362.8    23697.5    530.317   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
+   1100   1      7   9   2    24     7.315   18394.334    23362.8    23697.6    530.318   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
    1101   1      9   7   2    24     7.315   18394.334      171.5      173.9      3.892   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
-   1102   1     10   5   3    24     7.315   18394.334     4241.0     4301.7     96.267   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
+   1102   1     10   5   3    24     7.315   18394.334     4240.9     4301.7     96.266   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
    1103   1     11   3   2    24     7.315   18394.334     3485.4     3535.4     79.116   7.315   0.000   0.000  0.885487  0.114523  0.022496  1.000000
-   1104   1      8   8   2    24     7.426   18533.162     4992.5     5297.7    361.354   7.426   0.000   0.000  0.892170  0.113595  0.022028  1.000000
-   1105   1     10   4   4    24     7.426   18533.162     3469.2     3681.2    251.093   7.426   0.000   0.000  0.892170  0.113595  0.022028  1.000000
-   1106   1      3  11   0    12     7.540   18675.180     1223.9      942.4     66.507   7.540   0.000   0.000  0.899007  0.112661  0.021567  1.000000
-   1107   1      7   9   0    12     7.540   18675.180     8059.1     6205.5    437.922   7.540   0.000   0.000  0.899007  0.112661  0.021567  1.000000
-   1108   1      9   7   0    12     7.540   18675.180     3945.8     3038.2    214.411   7.540   0.000   0.000  0.899007  0.112661  0.021567  1.000000
-   1109   1     11   3   0    12     7.540   18675.180     2318.2     1785.0    125.971   7.540   0.000   0.000  0.899007  0.112661  0.021567  1.000000
-   1110   1      8   8   0    12     7.658   18820.516     1013.8     1008.0    354.519   7.658   0.000   0.000  0.906003  0.111719  0.021113  1.000000
-   1111   1      2  11   1    24     7.779   18969.295    40515.8    41812.1    556.012   7.779   0.000   0.000  0.913165  0.110770  0.020667  1.000000
+   1104   1      8   8   2    24     7.426   18533.162     4992.5     5297.8    361.355   7.426   0.000   0.000  0.892170  0.113595  0.022028  1.000000
+   1105   1     10   4   4    24     7.426   18533.162     3469.2     3681.3    251.096   7.426   0.000   0.000  0.892170  0.113595  0.022028  1.000000
+   1106   1      3  11   0    12     7.540   18675.182     1223.9      942.4     66.507   7.540   0.000   0.000  0.899007  0.112661  0.021567  1.000000
+   1107   1      7   9   0    12     7.540   18675.182     8059.1     6205.4    437.922   7.540   0.000   0.000  0.899007  0.112661  0.021567  1.000000
+   1108   1      9   7   0    12     7.540   18675.182     3945.8     3038.2    214.410   7.540   0.000   0.000  0.899007  0.112661  0.021567  1.000000
+   1109   1     11   3   0    12     7.540   18675.182     2318.2     1785.0    125.971   7.540   0.000   0.000  0.899007  0.112661  0.021567  1.000000
+   1110   1      8   8   0    12     7.658   18820.516     1013.8     1007.9    354.513   7.658   0.000   0.000  0.906003  0.111719  0.021113  1.000000
+   1111   1      2  11   1    24     7.779   18969.295    40515.8    41812.1    556.013   7.779   0.000   0.000  0.913165  0.110770  0.020667  1.000000
    1112   1      5  10   1    24     7.779   18969.295     4947.4     5105.7     67.895   7.779   0.000   0.000  0.913165  0.110770  0.020667  1.000000
    1113   1      6   9   3    24     7.779   18969.295     9410.2     9711.3    129.139   7.779   0.000   0.000  0.913165  0.110770  0.020667  1.000000
    1114   1      9   6   3    24     7.779   18969.295    14927.4    15405.0    204.854   7.779   0.000   0.000  0.913165  0.110770  0.020667  1.000000
    1115   1     10   5   1    24     7.779   18969.295    29706.1    30656.5    407.667   7.779   0.000   0.000  0.913165  0.110770  0.020667  1.000000
-   1116   1     11   2   1    24     7.779   18969.295     3860.8     3984.3     52.983   7.779   0.000   0.000  0.913165  0.110770  0.020667  1.000000
+   1116   1     11   2   1    24     7.779   18969.295     3860.7     3984.3     52.982   7.779   0.000   0.000  0.913165  0.110770  0.020667  1.000000
    1117   1      1  11   0    12     8.035   19277.760     8748.1     9055.0    165.108   8.035   0.000   0.000  0.928015  0.108849  0.019794  1.000000
    1118   1      5   9   4    24     8.035   19277.760     4179.8     4326.4     78.887   8.035   0.000   0.000  0.928015  0.108849  0.019794  1.000000
    1119   1      7   8   3    24     8.035   19277.760     2120.9     2195.3     40.028   8.035   0.000   0.000  0.928015  0.108849  0.019794  1.000000
-   1120   1      8   7   3    24     8.035   19277.760    12894.6    13346.9    243.367   8.035   0.000   0.000  0.928015  0.108849  0.019794  1.000000
-   1121   1      9   5   4    24     8.035   19277.760    20314.1    21026.6    383.399   8.035   0.000   0.000  0.928015  0.108849  0.019794  1.000000
+   1120   1      8   7   3    24     8.035   19277.760    12894.7    13347.0    243.368   8.035   0.000   0.000  0.928015  0.108849  0.019794  1.000000
+   1121   1      9   5   4    24     8.035   19277.760    20314.1    21026.6    383.398   8.035   0.000   0.000  0.928015  0.108849  0.019794  1.000000
    1122   1     11   1   0    12     8.035   19277.760     4837.8     5007.5     91.307   8.035   0.000   0.000  0.928015  0.108849  0.019794  1.000000
-   1123   1      4  10   2    24     8.168   19437.744    21692.5    24528.3    668.555   8.168   0.000   0.000  0.935716  0.107877  0.019368  1.000000
-   1124   1     10   4   2    24     8.168   19437.744     2852.4     3225.3     87.912   8.168   0.000   0.000  0.935716  0.107877  0.019368  1.000000
-   1125   1      6   9   1    24     8.307   19601.777    24128.0    22784.3    383.153   8.307   0.000   0.000  0.943612  0.106897  0.018950  1.000000
+   1123   1      4  10   2    24     8.168   19437.744    21692.4    24528.3    668.556   8.168   0.000   0.000  0.935716  0.107877  0.019368  1.000000
+   1124   1     10   4   2    24     8.168   19437.744     2852.4     3225.3     87.911   8.168   0.000   0.000  0.935716  0.107877  0.019368  1.000000
+   1125   1      6   9   1    24     8.307   19601.777    24128.1    22784.2    383.152   8.307   0.000   0.000  0.943612  0.106897  0.018950  1.000000
    1126   1      9   6   1    24     8.307   19601.777     8392.0     7924.6    133.264   8.307   0.000   0.000  0.943612  0.106897  0.018950  1.000000
-   1127   1     10   3   3    24     8.307   19601.777    26208.1    24748.4    416.183   8.307   0.000   0.000  0.943612  0.106897  0.018950  1.000000
-   1128   1      4  10   0    12     8.450   19770.037    12962.6    11987.1    158.613   8.450   0.000   0.000  0.951712  0.105908  0.018538  1.000000
-   1129   1      6   8   4    24     8.450   19770.037    13080.4    12096.0    160.053   8.450   0.000   0.000  0.951712  0.105908  0.018538  1.000000
-   1130   1      8   6   4    24     8.450   19770.037    23239.8    21491.0    284.366   8.450   0.000   0.000  0.951712  0.105908  0.018538  1.000000
-   1131   1     10   4   0    12     8.450   19770.037    30639.7    28334.0    374.913   8.450   0.000   0.000  0.951712  0.105908  0.018538  1.000000
-   1132   1      7   7   4    24     8.598   19942.703     4338.6     5199.0     66.132   8.598   0.000   0.000  0.960024  0.104911  0.018134  1.000000
-   1133   1      7   8   1    24     8.598   19942.703    32677.9    39158.2    498.097   8.598   0.000   0.000  0.960024  0.104911  0.018134  1.000000
-   1134   1      8   5   5    24     8.598   19942.703    16685.0    19993.8    254.323   8.598   0.000   0.000  0.960024  0.104911  0.018134  1.000000
-   1135   1      8   7   1    24     8.598   19942.703    27027.0    32386.7    411.964   8.598   0.000   0.000  0.960024  0.104911  0.018134  1.000000
+   1127   1     10   3   3    24     8.307   19601.777    26208.0    24748.3    416.181   8.307   0.000   0.000  0.943612  0.106897  0.018950  1.000000
+   1128   1      4  10   0    12     8.450   19770.035    12962.6    11987.2    158.614   8.450   0.000   0.000  0.951712  0.105908  0.018538  1.000000
+   1129   1      6   8   4    24     8.450   19770.035    13080.3    12096.1    160.054   8.450   0.000   0.000  0.951712  0.105908  0.018538  1.000000
+   1130   1      8   6   4    24     8.450   19770.035    23239.8    21491.1    284.368   8.450   0.000   0.000  0.951712  0.105908  0.018538  1.000000
+   1131   1     10   4   0    12     8.450   19770.035    30639.8    28334.2    374.915   8.450   0.000   0.000  0.951712  0.105908  0.018538  1.000000
+   1132   1      7   7   4    24     8.598   19942.705     4338.6     5199.0     66.132   8.598   0.000   0.000  0.960024  0.104911  0.018134  1.000000
+   1133   1      7   8   1    24     8.598   19942.705    32677.9    39158.2    498.098   8.598   0.000   0.000  0.960024  0.104911  0.018134  1.000000
+   1134   1      8   5   5    24     8.598   19942.705    16685.0    19993.7    254.323   8.598   0.000   0.000  0.960024  0.104911  0.018134  1.000000
+   1135   1      8   7   1    24     8.598   19942.705    27027.0    32386.7    411.963   8.598   0.000   0.000  0.960024  0.104911  0.018134  1.000000
    1136   1      3  10   1    24     8.911   20302.061      218.2      221.5      3.105   8.911   0.000   0.000  0.977323  0.102890  0.017346  1.000000
-   1137   1      5   9   2    24     8.911   20302.061     3919.0     3978.4     55.761   8.911   0.000   0.000  0.977323  0.102890  0.017346  1.000000
+   1137   1      5   9   2    24     8.911   20302.061     3919.0     3978.4     55.760   8.911   0.000   0.000  0.977323  0.102890  0.017346  1.000000
    1138   1      6   7   5    24     8.911   20302.061    27729.2    28149.5    394.539   8.911   0.000   0.000  0.977323  0.102890  0.017346  1.000000
    1139   1      7   6   5    24     8.911   20302.061     2165.8     2198.6     30.815   8.911   0.000   0.000  0.977323  0.102890  0.017346  1.000000
-   1140   1      9   5   2    24     8.911   20302.061    10503.0    10662.2    149.440   8.911   0.000   0.000  0.977323  0.102890  0.017346  1.000000
+   1140   1      9   5   2    24     8.911   20302.061    10503.0    10662.2    149.439   8.911   0.000   0.000  0.977323  0.102890  0.017346  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
    1141   1     10   3   1    24     8.911   20302.061    25656.6    26045.4    365.049   8.911   0.000   0.000  0.977323  0.102890  0.017346  1.000000
-   1142   1      6   6   6     8     9.076   20489.182    16281.6    15365.8    242.346   9.076   0.000   0.000  0.986331  0.101865  0.016962  1.000000
+   1142   1      6   6   6     8     9.076   20489.182    16281.7    15365.8    242.347   9.076   0.000   0.000  0.986331  0.101865  0.016962  1.000000
    1143   1     10   2   2    24     9.076   20489.182    40910.2    38609.0    608.934   9.076   0.000   0.000  0.986331  0.101865  0.016962  1.000000
    1144   1      4   9   3    24     9.247   20681.570     3664.7     3718.5     56.494   9.247   0.000   0.000  0.995593  0.100831  0.016586  1.000000
    1145   1      5   9   0    12     9.247   20681.570     9637.1     9778.6    148.562   9.247   0.000   0.000  0.995593  0.100831  0.016586  1.000000
-   1146   1      9   4   3    24     9.247   20681.570    39288.3    39865.3    605.654   9.247   0.000   0.000  0.995593  0.100831  0.016586  1.000000
-   1147   1      9   5   0    12     9.247   20681.570     3872.6     3929.4     59.698   9.247   0.000   0.000  0.995593  0.100831  0.016586  1.000000
+   1146   1      9   4   3    24     9.247   20681.570    39288.4    39865.3    605.655   9.247   0.000   0.000  0.995593  0.100831  0.016586  1.000000
+   1147   1      9   5   0    12     9.247   20681.570     3872.6     3929.5     59.698   9.247   0.000   0.000  0.995593  0.100831  0.016586  1.000000
    1148   1      2  10   0    12     9.425   20879.486      408.2      384.7      9.337   9.425   0.000   0.000  1.005120  0.099788  0.016217  1.000000
    1149   1      6   8   2    24     9.425   20879.486     7357.5     6934.6    168.296   9.425   0.000   0.000  1.005120  0.099788  0.016217  1.000000
    1150   1      8   6   2    24     9.425   20879.486    24336.7    22937.8    556.681   9.425   0.000   0.000  1.005120  0.099788  0.016217  1.000000
    1151   1     10   2   0    12     9.425   20879.486       16.7       15.7      0.381   9.425   0.000   0.000  1.005120  0.099788  0.016217  1.000000
    1152   1      7   7   2    24     9.610   21083.191    28265.5    31858.5    616.101   9.610   0.000   0.000  1.014926  0.098734  0.015854  1.000000
-   1153   1     10   1   1    24     9.610   21083.191     9007.9    10152.9    196.344   9.610   0.000   0.000  1.014926  0.098734  0.015854  1.000000
-   1154   1      6   8   0    12     9.802   21292.980     1593.3     2463.8     92.243   9.802   0.000   0.000  1.025025  0.097670  0.015499  1.000000
+   1153   1     10   1   1    24     9.610   21083.191     9007.8    10152.9    196.344   9.610   0.000   0.000  1.014926  0.098734  0.015854  1.000000
+   1154   1      6   8   0    12     9.802   21292.980     1593.3     2463.8     92.244   9.802   0.000   0.000  1.025025  0.097670  0.015499  1.000000
    1155   1      8   6   0    12     9.802   21292.980     2832.5     4380.1    163.988   9.802   0.000   0.000  1.025025  0.097670  0.015499  1.000000
    1156   1     10   0   0     6     9.802   21292.980     6254.7     9672.3    362.120   9.802   0.000   0.000  1.025025  0.097670  0.015499  1.000000
    1157   1      4   9   1    24    10.002   21509.158      534.9      492.3      9.840  10.002   0.000   0.000  1.035432  0.096595  0.015151  1.000000
-   1158   1      5   8   3    24    10.002   21509.158    11970.0    11018.4    220.222  10.002   0.000   0.000  1.035432  0.096595  0.015151  1.000000
+   1158   1      5   8   3    24    10.002   21509.158    11970.0    11018.5    220.224  10.002   0.000   0.000  1.035432  0.096595  0.015151  1.000000
    1159   1      7   7   0    12    10.002   21509.158      825.9      760.3     15.195  10.002   0.000   0.000  1.035432  0.096595  0.015151  1.000000
    1160   1      8   5   3    24    10.002   21509.158     1580.6     1455.0     29.080  10.002   0.000   0.000  1.035432  0.096595  0.015151  1.000000
-   1161   1      9   4   1    24    10.002   21509.158    30618.4    28184.4    563.312  10.002   0.000   0.000  1.035432  0.096595  0.015151  1.000000
-   1162   1      8   4   4    24    10.211   21732.057    18706.2    15651.1    641.699  10.211   0.000   0.000  1.046162  0.095509  0.014810  1.000000
-   1163   1      3   9   2    24    10.428   21962.033   215119.0   219896.5    989.100  10.428   0.000   0.000  1.057233  0.094412  0.014475  1.000000
+   1161   1      9   4   1    24    10.002   21509.158    30618.4    28184.5    563.315  10.002   0.000   0.000  1.035432  0.096595  0.015151  1.000000
+   1162   1      8   4   4    24    10.211   21732.061    18706.2    15651.0    641.697  10.211   0.000   0.000  1.046162  0.095509  0.014810  1.000000
+   1163   1      3   9   2    24    10.428   21962.033   215118.9   219896.4    989.099  10.428   0.000   0.000  1.057233  0.094412  0.014475  1.000000
    1164   1      6   7   3    24    10.428   21962.033     1489.1     1522.2      6.847  10.428   0.000   0.000  1.057233  0.094412  0.014475  1.000000
-   1165   1      7   6   3    24    10.428   21962.033   130848.7   133754.6    601.631  10.428   0.000   0.000  1.057233  0.094412  0.014475  1.000000
+   1165   1      7   6   3    24    10.428   21962.033   130848.6   133754.7    601.631  10.428   0.000   0.000  1.057233  0.094412  0.014475  1.000000
    1166   1      9   3   2    24    10.428   21962.033    26235.6    26818.3    120.629  10.428   0.000   0.000  1.057233  0.094412  0.014475  1.000000
    1167   1      3   9   0    12    10.891   22444.773        6.4        5.2      0.068  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
    1168   1      5   7   4    24    10.891   22444.773    15457.6    12679.0    165.218  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
    1169   1      5   8   1    24    10.891   22444.773     6755.7     5541.3     72.208  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
-   1170   1      7   5   4    24    10.891   22444.773    46884.9    38456.9    501.127  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
-   1171   1      8   5   1    24    10.891   22444.773    22900.6    18784.0    244.772  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
+   1170   1      7   5   4    24    10.891   22444.773    46884.8    38456.9    501.126  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
+   1171   1      8   5   1    24    10.891   22444.773    22900.6    18784.1    244.772  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
    1172   1      9   3   0    12    10.891   22444.773      360.2      295.4      3.850  10.891   0.000   0.000  1.080472  0.092182  0.013828  1.000000
    1173   1      6   6   4    24    11.139   22698.395    11251.3     3869.7    535.238  11.139   0.000   0.000  1.092681  0.091048  0.013515  1.000000
-   1174   1      2   9   1    24    11.398   22960.812    44976.2    46674.9    147.959  11.398   0.000   0.000  1.105313  0.089901  0.013209  1.000000
-   1175   1      6   5   5    24    11.398   22960.812   117316.2   121747.2    385.938  11.398   0.000   0.000  1.105313  0.089901  0.013209  1.000000
-   1176   1      6   7   1    24    11.398   22960.812   215581.7   223724.2    709.205  11.398   0.000   0.000  1.105313  0.089901  0.013209  1.000000
+   1174   1      2   9   1    24    11.398   22960.812    44976.3    46675.1    147.960  11.398   0.000   0.000  1.105313  0.089901  0.013209  1.000000
+   1175   1      6   5   5    24    11.398   22960.812   117316.2   121747.4    385.939  11.398   0.000   0.000  1.105313  0.089901  0.013209  1.000000
+   1176   1      6   7   1    24    11.398   22960.812   215581.7   223724.5    709.206  11.398   0.000   0.000  1.105313  0.089901  0.013209  1.000000
    1177   1      7   6   1    24    11.398   22960.812     5542.3     5751.6     18.233  11.398   0.000   0.000  1.105313  0.089901  0.013209  1.000000
-   1178   1      9   2   1    24    11.398   22960.812   138035.8   143249.4    454.100  11.398   0.000   0.000  1.105313  0.089901  0.013209  1.000000
-   1179   1      4   8   2    24    11.669   23232.547    63124.9    82159.3    613.654  11.669   0.000   0.000  1.118394  0.088741  0.012910  1.000000
-   1180   1      8   4   2    24    11.669   23232.547    26305.7    34237.8    255.725  11.669   0.000   0.000  1.118394  0.088741  0.012910  1.000000
+   1178   1      9   2   1    24    11.398   22960.812   138035.8   143249.6    454.101  11.398   0.000   0.000  1.105313  0.089901  0.013209  1.000000
+   1179   1      4   8   2    24    11.669   23232.549    63124.9    82158.7    613.653  11.669   0.000   0.000  1.118395  0.088741  0.012910  1.000000
+   1180   1      8   4   2    24    11.669   23232.549    26305.7    34237.6    255.725  11.669   0.000   0.000  1.118395  0.088741  0.012910  1.000000
    1181   1      1   9   0    12    11.954   23514.164     5709.0     6026.2     53.022  11.954   0.000   0.000  1.131951  0.087567  0.012618  1.000000
-   1182   1      8   3   3    24    11.954   23514.164    65878.2    69538.4    611.834  11.954   0.000   0.000  1.131951  0.087567  0.012618  1.000000
-   1183   1      9   1   0    12    11.954   23514.164    30805.2    32516.7    286.098  11.954   0.000   0.000  1.131951  0.087567  0.012618  1.000000
-   1184   1      4   8   0    12    12.253   23806.279    26352.8    28000.1    418.671  12.253   0.000   0.000  1.146013  0.086379  0.012333  1.000000
-   1185   1      8   4   0    12    12.253   23806.279    23278.6    24733.7    369.829  12.253   0.000   0.000  1.146013  0.086379  0.012333  1.000000
-   1186   1      5   7   2    24    12.567   24109.553    24384.1    20212.0    444.016  12.567   0.000   0.000  1.160613  0.085176  0.012055  1.000000
-   1187   1      7   5   2    24    12.567   24109.553    17171.0    14233.0    312.670  12.567   0.000   0.000  1.160613  0.085176  0.012055  1.000000
-   1188   1      6   6   2    24    12.898   24424.725    28605.5    21318.7    690.786  12.898   0.000   0.000  1.175785  0.083957  0.011784  1.000000
-   1189   1      3   8   1    24    13.246   24752.590     4695.3     4978.7     42.743  13.246   0.000   0.000  1.191568  0.082722  0.011521  1.000000
-   1190   1      4   7   3    24    13.246   24752.590     5412.5     5739.2     49.272  13.246   0.000   0.000  1.191568  0.082722  0.011521  1.000000
-   1191   1      5   7   0    12    13.246   24752.590     3878.9     4113.1     35.312  13.246   0.000   0.000  1.191568  0.082722  0.011521  1.000000
-   1192   1      7   4   3    24    13.246   24752.590    80261.4    85106.3    730.654  13.246   0.000   0.000  1.191568  0.082722  0.011521  1.000000
-   1193   1      7   5   0    12    13.246   24752.590     3427.4     3634.3     31.201  13.246   0.000   0.000  1.191568  0.082722  0.011521  1.000000
-   1194   1      8   3   1    24    13.246   24752.590     5039.3     5343.5     45.875  13.246   0.000   0.000  1.191568  0.082722  0.011521  1.000000
-   1195   1      6   6   0    12    13.614   25094.018    33449.9    33306.2    545.388  13.614   0.000   0.000  1.208004  0.081470  0.011264  1.000000
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+   1198   1      6   5   3    24    14.003   25449.980   120144.7   118697.1    837.224  14.003   0.000   0.000  1.225140  0.080201  0.011014  1.000000
    1199   1      2   8   0    12    14.415   25821.533    25481.7    27248.2    165.521  14.415   0.000   0.000  1.243026  0.078914  0.010771  1.000000
    1200   1      6   4   4    24    14.415   25821.533    33342.2    35653.7    216.581  14.415   0.000   0.000  1.243026  0.078914  0.010771  1.000000
 
@@ -2443,69 +1847,69 @@
 
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    1202   1      4   7   1    24    14.852   26209.850     5415.8     4819.3    131.819  14.852   0.000   0.000  1.261719  0.077607  0.010536  1.000000
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+   1203   1      5   5   4    24    14.852   26209.850     5333.2     4745.8    129.808  14.852   0.000   0.000  1.261719  0.077607  0.010536  1.000000
    1204   1      7   4   1    24    14.852   26209.850    11200.4     9966.8    272.614  14.852   0.000   0.000  1.261719  0.077607  0.010536  1.000000
    1205   1      8   1   1    24    14.852   26209.850     5908.8     5258.0    143.817  14.852   0.000   0.000  1.261719  0.077607  0.010536  1.000000
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-   1209   1      6   5   1    24    15.810   27042.113   239619.9   247214.1    687.004  15.810   0.000   0.000  1.301784  0.074933  0.010085  1.000000
-   1210   1      7   3   2    24    15.810   27042.113    92018.4    94934.7    263.822  15.810   0.000   0.000  1.301784  0.074933  0.010085  1.000000
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+   1207   1      3   7   2    24    15.810   27042.115   168712.8   174059.7    483.708  15.810   0.000   0.000  1.301784  0.074933  0.010085  1.000000
+   1208   1      5   6   1    24    15.810   27042.115    71350.1    73611.4    204.564  15.810   0.000   0.000  1.301784  0.074933  0.010085  1.000000
+   1209   1      6   5   1    24    15.810   27042.115   239620.0   247214.1    687.003  15.810   0.000   0.000  1.301784  0.074933  0.010085  1.000000
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    1211   1      3   7   0    12    16.900   27959.055     3177.8      204.0    123.024  16.900   0.000   0.000  1.345924  0.072171  0.009663  1.000000
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+   1212   1      7   3   0    12    16.900   27959.055    15627.0     1003.1    604.976  16.900   0.000   0.000  1.345924  0.072171  0.009663  1.000000
+   1213   1      4   6   2    24    17.504   28453.943    47937.9    53356.5    352.630  17.504   0.000   0.000  1.369748  0.070755  0.009463  1.000000
    1214   1      6   4   2    24    17.504   28453.943    89203.8    99287.0    656.181  17.504   0.000   0.000  1.369748  0.070755  0.009463  1.000000
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-   1216   1      5   5   2    24    18.152   28976.076    43605.8    44654.1    150.893  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
-   1217   1      6   3   3    24    18.152   28976.076     5532.9     5665.9     19.146  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
-   1218   1      7   2   1    24    18.152   28976.076   222780.1   228135.9    770.905  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
-   1219   1      4   6   0    12    18.850   29528.053   149752.7   164100.8    827.821  18.850   0.000   0.000  1.421455  0.067844  0.009083  1.000000
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-   1221   1      1   7   0    12    19.604   30112.820     2321.7     2210.2     10.164  19.604   0.000   0.000  1.449605  0.066346  0.008904  1.000000
-   1222   1      4   5   3    24    19.604   30112.820     2191.5     2086.2      9.594  19.604   0.000   0.000  1.449605  0.066346  0.008904  1.000000
-   1223   1      5   4   3    24    19.604   30112.820   228895.7   217899.2   1002.058  19.604   0.000   0.000  1.449605  0.066346  0.008904  1.000000
-   1224   1      5   5   0    12    19.604   30112.820     6830.6     6502.4     29.903  19.604   0.000   0.000  1.449605  0.066346  0.008904  1.000000
-   1225   1      7   1   0    12    19.604   30112.820    23401.7    22277.4    102.448  19.604   0.000   0.000  1.449605  0.066346  0.008904  1.000000
-   1226   1      4   4   4     8    20.421   30733.771    97608.8    93114.5    915.410  20.421   0.000   0.000  1.479497  0.064818  0.008731  1.000000
-   1227   1      3   6   1    24    21.309   31394.787   179498.1   180223.8    826.751  21.309   0.000   0.000  1.511318  0.063258  0.008566  1.000000
-   1228   1      6   3   1    24    21.309   31394.787    73659.0    73956.8    339.266  21.309   0.000   0.000  1.511318  0.063258  0.008566  1.000000
-   1229   1      6   2   2    24    22.278   32100.375   203748.0   218155.3   1129.518  22.278   0.000   0.000  1.545284  0.061664  0.008408  1.000000
-   1230   1      4   5   1    24    23.338   32855.785   143301.9   140293.8    813.694  23.338   0.000   0.000  1.581649  0.060033  0.008256  1.000000
+   1215   1      2   7   1    24    18.152   28976.080   108874.7   111492.2    376.748  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
+   1216   1      5   5   2    24    18.152   28976.080    43605.9    44654.2    150.893  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
+   1217   1      6   3   3    24    18.152   28976.080     5532.9     5666.0     19.146  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
+   1218   1      7   2   1    24    18.152   28976.080   222780.1   228136.0    770.905  18.152   0.000   0.000  1.394883  0.069313  0.009269  1.000000
+   1219   1      4   6   0    12    18.850   29528.053   149752.7   164100.9    827.823  18.850   0.000   0.000  1.421455  0.067844  0.009083  1.000000
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+   1222   1      4   5   3    24    19.604   30112.826     2191.5     2086.2      9.594  19.604   0.000   0.000  1.449605  0.066346  0.008904  1.000000
+   1223   1      5   4   3    24    19.604   30112.826   228895.3   217899.0   1002.055  19.604   0.000   0.000  1.449605  0.066346  0.008904  1.000000
+   1224   1      5   5   0    12    19.604   30112.826     6830.6     6502.4     29.903  19.604   0.000   0.000  1.449605  0.066346  0.008904  1.000000
+   1225   1      7   1   0    12    19.604   30112.826    23401.6    22277.4    102.447  19.604   0.000   0.000  1.449605  0.066346  0.008904  1.000000
+   1226   1      4   4   4     8    20.421   30733.771    97608.8    93114.4    915.409  20.421   0.000   0.000  1.479497  0.064818  0.008731  1.000000
+   1227   1      3   6   1    24    21.309   31394.787   179497.9   180223.8    826.752  21.309   0.000   0.000  1.511318  0.063258  0.008566  1.000000
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+   1229   1      6   2   2    24    22.278   32100.377   203748.1   218155.3   1129.517  22.278   0.000   0.000  1.545284  0.061664  0.008408  1.000000
+   1230   1      4   5   1    24    23.338   32855.785   143302.0   140293.8    813.694  23.338   0.000   0.000  1.581649  0.060033  0.008256  1.000000
    1231   1      5   4   1    24    23.338   32855.785    57480.9    56274.3    326.387  23.338   0.000   0.000  1.581649  0.060033  0.008256  1.000000
-   1232   1      2   6   0    12    24.505   33667.160      298.5      268.0      5.673  24.505   0.000   0.000  1.620708  0.058362  0.008112  1.000000
-   1233   1      6   2   0    12    24.505   33667.160    48177.2    43258.1    915.688  24.505   0.000   0.000  1.620708  0.058362  0.008112  1.000000
-   1234   1      3   5   2    24    25.795   34541.777   327770.1   336767.8    684.164  25.795   0.000   0.000  1.662811  0.056650  0.007975  1.000000
-   1235   1      5   3   2    24    25.795   34541.777   248067.5   254877.2    517.799  25.795   0.000   0.000  1.662811  0.056650  0.007975  1.000000
-   1236   1      6   1   1    24    25.795   34541.777   349629.4   359227.2    729.792  25.795   0.000   0.000  1.662811  0.056650  0.007975  1.000000
-   1237   1      4   4   2    24    27.228   35488.305   221814.2   212651.1   1068.280  27.228   0.000   0.000  1.708376  0.054891  0.007845  1.000000
-   1238   1      6   0   0     6    27.228   35488.305    54174.8    51936.8    260.911  27.228   0.000   0.000  1.708376  0.054891  0.007845  1.000000
+   1232   1      2   6   0    12    24.505   33667.160      298.4      268.0      5.673  24.505   0.000   0.000  1.620708  0.058362  0.008112  1.000000
+   1233   1      6   2   0    12    24.505   33667.160    48177.2    43258.1    915.687  24.505   0.000   0.000  1.620708  0.058362  0.008112  1.000000
+   1234   1      3   5   2    24    25.795   34541.777   327771.0   336768.6    684.166  25.795   0.000   0.000  1.662811  0.056650  0.007975  1.000000
+   1235   1      5   3   2    24    25.795   34541.777   248067.3   254877.0    517.798  25.795   0.000   0.000  1.662811  0.056650  0.007975  1.000000
+   1236   1      6   1   1    24    25.795   34541.777   349629.0   359226.7    729.791  25.795   0.000   0.000  1.662811  0.056650  0.007975  1.000000
+   1237   1      4   4   2    24    27.228   35488.301   221814.3   212651.2   1068.281  27.228   0.000   0.000  1.708376  0.054891  0.007845  1.000000
+   1238   1      6   0   0     6    27.228   35488.301    54174.8    51936.9    260.911  27.228   0.000   0.000  1.708376  0.054891  0.007845  1.000000
    1239   1      3   5   0    12    28.830   36517.164     1267.9     1187.8     12.239  28.830   0.000   0.000  1.757904  0.053083  0.007722  1.000000
-   1240   1      4   3   3    24    28.830   36517.164    30049.7    28151.1    290.087  28.830   0.000   0.000  1.757904  0.053083  0.007722  1.000000
-   1241   1      5   3   0    12    28.830   36517.164    91678.6    85886.1    885.026  28.830   0.000   0.000  1.757904  0.053083  0.007722  1.000000
-   1242   1      4   4   0    12    30.632   37641.031  1044508.9  1033402.8   2189.481  30.632   0.000   0.000  1.812006  0.051222  0.007606  1.000000
-   1243   1      2   5   1    24    32.674   38875.488  1051261.5  1097200.0   1884.038  32.674   0.000   0.000  1.871432  0.049301  0.007496  1.000000
-   1244   1      5   2   1    24    32.674   38875.488   470096.9   490639.5    842.493  32.674   0.000   0.000  1.871432  0.049301  0.007496  1.000000
-   1245   1      1   5   0    12    37.700   41758.973   115316.0   113839.1    187.527  37.700   0.000   0.000  2.010241  0.045256  0.007299  1.000000
-   1246   1      3   4   1    24    37.700   41758.973  1289304.9  1272792.2   2096.671  37.700   0.000   0.000  2.010241  0.045256  0.007299  1.000000
-   1247   1      4   3   1    24    37.700   41758.973   603449.5   595720.9    981.331  37.700   0.000   0.000  2.010241  0.045256  0.007299  1.000000
-   1248   1      5   1   0    12    37.700   41758.973    20763.6    20497.7     33.766  37.700   0.000   0.000  2.010241  0.045256  0.007299  1.000000
-   1249   1      4   2   2    24    40.842   43464.113    60182.1    39592.9   1486.249  40.842   0.000   0.000  2.092324  0.043116  0.007212  1.000000
-   1250   1      3   3   2    24    44.555   45396.789  2789517.0  2811512.8   3940.966  44.555   0.000   0.000  2.185362  0.040886  0.007131  1.000000
-   1251   1      2   4   0    12    49.011   47612.559   643446.6   665451.2   1580.383  49.011   0.000   0.000  2.292027  0.038552  0.007057  1.000000
-   1252   1      4   2   0    12    49.011   47612.559   600614.1   621153.9   1475.181  49.011   0.000   0.000  2.292027  0.038552  0.007057  1.000000
+   1240   1      4   3   3    24    28.830   36517.164    30049.8    28151.1    290.087  28.830   0.000   0.000  1.757904  0.053083  0.007722  1.000000
+   1241   1      5   3   0    12    28.830   36517.164    91678.7    85886.1    885.026  28.830   0.000   0.000  1.757904  0.053083  0.007722  1.000000
+   1242   1      4   4   0    12    30.632   37641.031  1044508.8  1033402.6   2189.481  30.632   0.000   0.000  1.812006  0.051222  0.007606  1.000000
+   1243   1      2   5   1    24    32.674   38875.488  1051262.6  1097201.0   1884.040  32.674   0.000   0.000  1.871432  0.049301  0.007496  1.000000
+   1244   1      5   2   1    24    32.674   38875.488   470096.2   490638.7    842.492  32.674   0.000   0.000  1.871432  0.049301  0.007496  1.000000
+   1245   1      1   5   0    12    37.700   41758.973   115316.0   113839.0    187.527  37.700   0.000   0.000  2.010241  0.045256  0.007299  1.000000
+   1246   1      3   4   1    24    37.700   41758.973  1289305.0  1272792.0   2096.670  37.700   0.000   0.000  2.010241  0.045256  0.007299  1.000000
+   1247   1      4   3   1    24    37.700   41758.973   603450.2   595721.4    981.332  37.700   0.000   0.000  2.010241  0.045256  0.007299  1.000000
+   1248   1      5   1   0    12    37.700   41758.973    20763.6    20497.6     33.766  37.700   0.000   0.000  2.010241  0.045256  0.007299  1.000000
+   1249   1      4   2   2    24    40.842   43464.121    60182.2    39592.9   1486.237  40.842   0.000   0.000  2.092325  0.043116  0.007212  1.000000
+   1250   1      3   3   2    24    44.555   45396.789  2789516.0  2811512.8   3940.967  44.555   0.000   0.000  2.185362  0.040886  0.007131  1.000000
+   1251   1      2   4   0    12    49.011   47612.555   643446.7   665451.2   1580.381  49.011   0.000   0.000  2.292027  0.038552  0.007057  1.000000
+   1252   1      4   2   0    12    49.011   47612.555   600614.1   621153.9   1475.179  49.011   0.000   0.000  2.292027  0.038552  0.007057  1.000000
    1253   1      3   3   0    12    54.456   50188.035    11925.3    12015.9     34.840  54.456   0.000   0.000  2.416008  0.036097  0.006990  1.000000
-   1254   1      4   1   1    24    54.456   50188.035   992303.5   999844.1   2899.025  54.456   0.000   0.000  2.416008  0.036097  0.006990  1.000000
+   1254   1      4   1   1    24    54.456   50188.035   992303.8   999844.1   2899.026  54.456   0.000   0.000  2.416008  0.036097  0.006990  1.000000
    1255   1      4   0   0     6    61.263   53232.457   507453.0   512006.0   2603.072  61.263   0.000   0.000  2.562564  0.033502  0.006930  1.000000
-   1256   1      2   3   1    24    70.015   56907.887   234893.6   246025.5   1051.588  70.015   0.000   0.000  2.739496  0.030739  0.006877  1.000000
-   1257   1      3   2   1    24    70.015   56907.887   496145.5   519658.3   2221.180  70.015   0.000   0.000  2.739496  0.030739  0.006877  1.000000
-   1258   1      2   2   2     8    81.684   61467.543   528331.4   511135.3   3392.554  81.684   0.000   0.000  2.958994  0.027771  0.006832  1.000000
-   1259   1      1   3   0    12    98.021   67334.320    42523.7    42219.9    425.197  98.021   0.000   0.000  3.241415  0.024543  0.006793  1.000000
-   1260   1      3   1   0    12    98.021   67334.320   342431.2   339984.6   3423.985  98.021   0.000   0.000  3.241415  0.024543  0.006793  1.000000
+   1256   1      2   3   1    24    70.015   56907.887   234894.0   246025.9   1051.590  70.015   0.000   0.000  2.739496  0.030739  0.006877  1.000000
+   1257   1      3   2   1    24    70.015   56907.887   496145.2   519658.0   2221.178  70.015   0.000   0.000  2.739496  0.030739  0.006877  1.000000
+   1258   1      2   2   2     8    81.684   61467.543   528331.4   511135.2   3392.554  81.684   0.000   0.000  2.958994  0.027771  0.006832  1.000000
+   1259   1      1   3   0    12    98.021   67334.320    42523.8    42220.0    425.197  98.021   0.000   0.000  3.241416  0.024543  0.006793  1.000000
+   1260   1      3   1   0    12    98.021   67334.320   342431.2   339984.6   3423.985  98.021   0.000   0.000  3.241416  0.024543  0.006793  1.000000
 
    No.  Code     H   K   L  Mult     Hw     2theta/TOF      Icalc       Iobs      Sigma    HwG     HwL     ETA     d-hkl  TOF_alpha  TOF_beta     CORR
 
-   1261   1      2   2   0    12   122.527   75282.062  2880499.0  2833318.8   9293.753 122.527   0.000   0.000  3.624013  0.020973  0.006761  1.000000
-   1262   1      2   1   1    24   163.369   86928.227  2234270.8  2208583.0  11801.081 163.369   0.000   0.000  4.184649  0.016920  0.006737  1.000000
+   1261   1      2   2   0    12   122.527   75282.062  2880498.5  2833319.0   9293.752 122.527   0.000   0.000  3.624013  0.020973  0.006761  1.000000
+   1262   1      2   1   1    24   163.369   86928.242  2234270.0  2208583.2  11801.044 163.369   0.000   0.000  4.184649  0.016920  0.006737  1.000000
 
      -----------------------------------------------------
      BRAGG R-Factors and weight fractions for Pattern #  1
@@ -2525,7 +1929,7 @@
  => Dimensions of dynamic allocated arrays in this run of FullProf:
  ------------------------------------------------------------------
 
- => Total approximate array memory (dynamic + static): 160071153 bytes
+ => Total approximate array memory (dynamic + static): 127459053 bytes
 
     MaxPOINT=    80000 Max.num. of points(+int. Inten.)/diffraction pattern       
     MaxREFLT=    25000 Max.num. of reflections/diffraction pattern               
@@ -2550,7 +1954,7 @@
     NGL     =      400 Max.num. of global parameters/diffraction pattern          
     N_LINC  =       50 Max.num. of global linear restraints                        
     NAT_P   =       80 Max.num. of atomic parameters per atom                     
-    NCONST  =     3500 Max.num. of slack constraints per phase                    
+    NCONST  =      500 Max.num. of slack constraints per phase                    
     N_SPE   =       30 Max.num. of different chemical species                     
     N_FORM  =       60 Max.num. of scattering factor values in a table            
     NPR     =      150 Max.num. of points defining a numerical profile            
@@ -2559,7 +1963,7 @@
     NSOL    =       10 Max.num. of solutions to be stored in Montecarlo searchs   
 
  
-              CPU Time:     0.734 seconds
-                            0.012 minutes
+              CPU Time:     0.320 seconds
+                            0.005 minutes
 
- => Run finished at:     Date: 09/06/2026  Time: 12:42:04.985                              
+ => Run finished at:     Date: 09/06/2026  Time: 15:11:13.975                              
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.pcr b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.pcr
index 56a45adc2..e7056947c 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.pcr
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.pcr
@@ -1,54 +1,26 @@
 YAG highres
 ! Current global Chi2 (Bragg contrib.) =      15.89    
-NPATT      5       1 0 0 0 0 <- Flags for patterns (1:refined, 0: excluded)
-W_PAT   1.000 1.000 1.000 1.000 1.000
+NPATT      1       1 <- Flags for patterns (1:refined, 0: excluded)
+W_PAT   1.000
 !Nph Dum Ias Nre Cry Opt Aut
    1   1   1   0   0   0   1
 !Job Npr Nba Nex Nsc Nor Iwg Ilo Res Ste Uni Cor Anm Int
   -1  13  28   2   0   1   0   0   0   0   1   0   0   0  !-> Patt#: 1
-  -1  13  28   2   0   1   0   0   0   0   1   0   0   0  !-> Patt#: 2
-  -1  13  22   2   0   1   0   0   0   0   1   0   0   0  !-> Patt#: 3
-  -1  13  22   2   0   1   0   0   0   0   1   0   0   0  !-> Patt#: 4
-  -1  13  36   2   0   1   0   0   0   0   1   0   0   0  !-> Patt#: 5
 !
 !File names of data(patterns) files
 55025-5_6raw.gss
-55025-4_7raw.gss
-55025-3_8raw.gss
-55025-2_9raw.gss
-55025-1_10raw.gss
 !
 !Mat Pcr NLI Rpa Sym Sho
    0   1   0   0   0   0
 !Ipr Ppl Ioc Ls1 Ls2 Ls3 Prf Ins Hkl Fou Ana
-   2   2   1   0   4   0   3  14   0   0   0  !-> Patt#: 1
-   2   2   1   0   4   0   3  14   0   0   0  !-> Patt#: 2
-   2   2   1   0   4   0   3  14   0   0   0  !-> Patt#: 3
-   2   2   1   0   4   0   3  14   0   0   0  !-> Patt#: 4
-   2   2   1   0   4   0   3  14   0   0   0  !-> Patt#: 5
+   2   2   1   0   4   0   2  14   0   0   0  !-> Patt#: 1
 !
 !  Bkpos        Wdt    Iabscor for Pattern#  1
     3000.000   40.00     2
-!  Bkpos        Wdt    Iabscor for Pattern#  2
-   10000.000   40.00     2
-!  Bkpos        Wdt    Iabscor for Pattern#  3
-    2400.000   40.00     2
-!  Bkpos        Wdt    Iabscor for Pattern#  4
-    2000.000   40.00     2
-!  Bkpos        Wdt    Iabscor for Pattern#  5
-    2000.000   40.00     2
 !NCY  Eps  R_at  R_an  R_pr  R_gl
  20  0.30  0.30  0.30  0.30  0.30
 !    TOF-min      <Step>       TOF-max  -> Patt#: 1
    7267.5684     23.3535 103417.6719
-!    TOF-min      <Step>       TOF-max  -> Patt#: 2
-   7463.4634     25.1588 109083.4844
-!    TOF-min      <Step>       TOF-max  -> Patt#: 3
-   7549.5366     27.6114 117086.1953
-!    TOF-min      <Step>       TOF-max  -> Patt#: 4
-   5202.2002     29.7808 136018.0156
-!    TOF-min      <Step>       TOF-max  -> Patt#: 5
-   4002.3171     58.7510 265781.8438
 !
 !2Theta/TOF/E(Kev)   Background  for Pattern#  1
      11136.8740       522.6016          0.00
@@ -84,184 +56,24 @@ W_PAT   1.000 1.000 1.000 1.000 1.000
         0.00     9000.00
    104000.00   300000.00
 ! 
-!2Theta/TOF/E(Kev)   Background  for Pattern#  2
-      9089.7529       487.8558          0.00
-     10671.6523       565.7466          0.00
-     12287.2100       493.6100          0.00
-     14037.3975       558.6192          0.00
-     15451.0088       529.2166          0.00
-     16763.6504       445.4533          0.00
-     18076.2910       459.5564          0.00
-     19456.2461       412.5210          0.00
-     20465.9688       510.9012          0.00
-     21879.5801       395.9663          0.00
-     23798.0566       391.3568          0.00
-     25447.2715       384.8244          0.00
-     28072.5508       349.0691          0.00
-     30058.3418       331.6117          0.00
-     32582.6504       308.5730          0.00
-     34804.0391       355.2209          0.00
-     37160.0625       317.5392          0.00
-     40323.8594       289.8466          0.00
-     46894.5391       259.8395          0.00
-     50630.5156       255.6585          0.00
-     54602.0938       245.5955          0.00
-     58439.0430       263.8085          0.00
-     66519.8203       250.2509          0.00
-     75001.5000       257.5644          0.00
-     83649.2188       257.4074          0.00
-     92770.3828       254.5244          0.00
-    101524.3047       259.7324          0.00
-    107313.3906       239.1429          0.00
-! 
-! Excluded regions (LowT  HighT) for Pattern#  2
-        0.00     9000.00
-   108000.00   300000.00
-! 
-!2Theta/TOF/E(Kev)   Background  for Pattern#  3
-      9089.7529       440.9055          0.00
-     11580.4033       512.3026          0.00
-     13667.1650       416.8599          0.00
-     15551.9824       474.3704          0.00
-     17739.7168       407.4471          0.00
-     20364.9961       377.5256          0.00
-     22653.7031       346.0829          0.00
-     24740.4648       331.7580          0.00
-     27130.1406       335.9806          0.00
-     29957.3672       353.3779          0.00
-     32616.3047       298.4350          0.00
-     36150.3359       283.4345          0.00
-     40963.3516       253.7007          0.00
-     47265.5195       254.3173          0.00
-     53391.1758       235.3135          0.00
-     62005.2383       240.5865          0.00
-     71866.8672       239.3391          0.00
-     82913.9922       242.9300          0.00
-     90385.9375       241.0844          0.00
-     99649.2188       235.3400          0.00
-    107356.7656       239.0635          0.00
-    115337.3203       246.8556          0.00
-! 
-! Excluded regions (LowT  HighT) for Pattern#  3
-        0.00     9000.00
-   116000.00   300000.00
-! 
-!2Theta/TOF/E(Kev)   Background  for Pattern#  4
-      7246.0732       249.7375          0.00
-      9265.5195       270.6130          0.00
-     11097.9795       377.8958          0.00
-     13080.0303       385.2249          0.00
-     15473.4473       338.0749          0.00
-     16931.9355       332.4153          0.00
-     18614.8086       367.1919          0.00
-     20596.8594       392.2778          0.00
-     22504.1133       342.6676          0.00
-     26169.0332       281.6415          0.00
-     28113.6875       265.4700          0.00
-     30320.1172       259.4010          0.00
-     34770.3828       253.6398          0.00
-     40155.5703       237.2978          0.00
-     48341.8086       227.8360          0.00
-     58540.0156       221.0457          0.00
-     69139.8672       220.3215          0.00
-     80953.6328       226.1666          0.00
-     94214.6562       218.7350          0.00
-    107677.6328       220.2411          0.00
-    120889.3047       217.6368          0.00
-    132602.0938       173.0294          0.00
-! 
-! Excluded regions (LowT  HighT) for Pattern#  4
-        0.00     7000.00
-   134000.00   300000.00
-! 
-!2Theta/TOF/E(Kev)   Background  for Pattern#  5
-      6056.0952       284.5072          0.00
-      7099.4761       116.8312          0.00
-      8008.2271       144.6455          0.00
-      8816.0059       123.3459          0.00
-      9724.7568       291.1345          0.00
-     10532.5352       202.4357          0.00
-     11710.5459       170.3769          0.00
-     12619.2969       234.8494          0.00
-     13393.4180       215.9752          0.00
-     14470.4561       211.1153          0.00
-     15614.8096       255.0736          0.00
-     17264.0254       230.8970          0.00
-     19283.4707       220.6135          0.00
-     20192.2207       232.5224          0.00
-     22346.2969       236.9142          0.00
-     24433.0586       234.7767          0.00
-     27563.2012       238.6224          0.00
-     30356.7695       226.4543          0.00
-     33049.3672       221.6173          0.00
-     35203.4414       227.9170          0.00
-     38826.4766       224.6787          0.00
-     44447.2695       216.2434          0.00
-     50068.0625       216.9036          0.00
-     55587.8828       213.4625          0.00
-     63586.3867       216.2199          0.00
-     74289.4531       212.9891          0.00
-     86385.1953       212.3878          0.00
-     98097.9844       212.5949          0.00
-    114791.3281       211.3093          0.00
-    128630.5156       210.9814          0.00
-    147091.2500       222.9456          0.00
-    167026.9219       210.3100          0.00
-    187448.0156       222.3267          0.00
-    208808.5312       254.2876          0.00
-    231077.7812       123.6264          0.00
-    252332.8281       161.2677          0.00
-! 
-! Excluded regions (LowT  HighT) for Pattern#  5
-        0.00     7000.00
-   240000.00   300000.00
-! 
 !
        0    !Number of refined parameters
 !
 !    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  1
    -13.88128    0.00 20773.12305    0.00    -1.08308    0.00     0.00000    0.00   152.827
-!
-!    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  2
-   -15.05269    0.00 18660.06836    0.00    -0.47488    0.00     0.00000    0.00   121.660
-!
-!    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  3
-   -12.72628    0.00 15105.37695    0.00     1.00785    0.00     0.00000    0.00    90.000
-!
-!    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  4
-    13.99431    0.00 10389.88477    0.00     1.85233    0.00     0.00000    0.00    58.330
-!
-!    Zero       Code      Dtt1      Code       Dtt2     Code  Dtt_1overd    Code  2ThetaBank  -> Patt#  5
-    13.51434    0.00  4986.07373    0.00     1.85733    0.00     0.00000    0.00    27.081
 !-------------------------------------------------------------------------------
-!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   3.9914
+!  Data for PHASE number:   1  ==> Current R_Bragg for Pattern#  1:   4.0339
 !-------------------------------------------------------------------------------
 Y5Al3O12 Nuclear
 !
 !Nat Dis Ang Jbt Isy Str Furth        ATZ     Nvk More
    6   0   0   0   0   0   0      17501.7695   0   0
-!Contributions (0/1) of this phase to the  5 patterns
- 1 1 1 1 1
+!Contributions (0/1) of this phase to the  1 patterns
+ 1
 !Irf Npr Jtyp  Nsp_Ref Ph_Shift for Pattern#  1
    0   9   -1      0      0
 ! Pr1    Pr2    Pr3   Brind.   Rmua   Rmub   Rmuc     for Pattern#  1
   0.000  0.000  1.000  1.000  0.000  0.000  0.000
-!Irf Npr Jtyp  Nsp_Ref Ph_Shift for Pattern#  2
-   0   9   -1      0      0
-! Pr1    Pr2    Pr3   Brind.   Rmua   Rmub   Rmuc     for Pattern#  2
-  0.000  0.000  1.000  1.000  0.000  0.000  0.000
-!Irf Npr Jtyp  Nsp_Ref Ph_Shift for Pattern#  3
-   0   9   -1      0      0
-! Pr1    Pr2    Pr3   Brind.   Rmua   Rmub   Rmuc     for Pattern#  3
-  0.000  0.000  1.000  1.000  0.000  0.000  0.000
-!Irf Npr Jtyp  Nsp_Ref Ph_Shift for Pattern#  4
-   0   9   -1      0      0
-! Pr1    Pr2    Pr3   Brind.   Rmua   Rmub   Rmuc     for Pattern#  4
-  0.000  0.000  1.000  1.000  0.000  0.000  0.000
-!Irf Npr Jtyp  Nsp_Ref Ph_Shift for Pattern#  5
-   0   9   -1      0      0
-! Pr1    Pr2    Pr3   Brind.   Rmua   Rmub   Rmuc     for Pattern#  5
-  0.000  0.000  1.000  1.000  0.000  0.000  0.000
 !
 !
 I 21 3                   <--Space group symbol
@@ -288,7 +100,7 @@ F3     F       0.46120  0.46120  0.46120  0.78029   1.00000   0   0   0    0
 !      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
         0.0000        0.0000        0.0000        0.0000        0.0000
           0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      # Cell Info
+!     a          b         c        alpha      beta       gamma      #Cell Info
   10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
     0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
 !      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
@@ -296,77 +108,5 @@ F3     F       0.46120  0.46120  0.46120  0.78029   1.00000   0   0   0    0
         0.00        0.00        0.00        0.00        0.00        0.00        0.00        0.00
 !Absorption correction parameters
    0.00000    0.00   0.00000    0.00            ABS: ABSCOR1  ABSCOR2
-!-------> Profile Parameters for Pattern #   2  ----> Phase #   1
-!  Scale          Extinc       Bov      Str1      Str2      Str3    Strain-Mode
-  4.212449        0.0000    0.0000    0.0000    0.0000    0.0000         0
-       0.00000      0.00      0.00      0.00      0.00      0.00
-!      Sigma-2       Sigma-1       Sigma-0       Sigma-Q   Iso-GStrain     Iso-GSize     Ani-LSize   Size-Model
-       18.1962       29.3569        0.0000        0.0000        0.0000        0.0000        0.0000       0
-          0.00          0.00          0.00          0.00          0.00          0.00          0.00
-!      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
-        0.0000        0.0000        0.0000        0.0000        0.0000
-          0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      # Cell Info
-  10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
-    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
-!      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
-    1.000000    0.000000   -0.011599    0.006428    0.122765    0.014680    0.000000    0.000000
-        0.00        0.00        0.00        0.00        0.00        0.00        0.00        0.00
-!Absorption correction parameters
-   0.00430    0.00   0.00000    0.00            ABS: ABSCOR1  ABSCOR2
-!-------> Profile Parameters for Pattern #   3  ----> Phase #   1
-!  Scale          Extinc       Bov      Str1      Str2      Str3    Strain-Mode
-  4.149513        0.0000    0.0000    0.0000    0.0000    0.0000         0
-       0.00000      0.00      0.00      0.00      0.00      0.00
-!      Sigma-2       Sigma-1       Sigma-0       Sigma-Q   Iso-GStrain     Iso-GSize     Ani-LSize   Size-Model
-       16.8599       62.2443        0.0000        0.0000        0.0000        0.0000        0.0000       0
-          0.00          0.00          0.00          0.00          0.00          0.00          0.00
-!      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
-        0.0000        0.0002        0.0000        0.0000        0.0000
-          0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      # Cell Info
-  10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
-    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
-!      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
-    1.000000    0.000000   -0.012131    0.005991    0.122899    0.027663    0.000000    0.000000
-        0.00        0.00        0.00        0.00        0.00        0.00        0.00        0.00
-!Absorption correction parameters
-   0.00109    0.00   0.00000    0.00            ABS: ABSCOR1  ABSCOR2
-!-------> Profile Parameters for Pattern #   4  ----> Phase #   1
-!  Scale          Extinc       Bov      Str1      Str2      Str3    Strain-Mode
-  4.017175        0.0000    0.0000    0.0000    0.0000    0.0000         0
-       0.00000      0.00      0.00      0.00      0.00      0.00
-!      Sigma-2       Sigma-1       Sigma-0       Sigma-Q   Iso-GStrain     Iso-GSize     Ani-LSize   Size-Model
-       23.0513       69.8210        0.0000        0.0000        0.0000        0.0000        0.0000       0
-          0.00          0.00          0.00          0.00          0.00          0.00          0.00
-!      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
-        0.0000        1.6846        0.0000        0.0000        0.0000
-          0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      # Cell Info
-  10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
-    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
-!      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
-    1.000000    0.000000    0.040557    0.005322    0.023866    0.083299    0.000000    0.000000
-        0.00        0.00        0.00        0.00        0.00        0.00        0.00        0.00
-!Absorption correction parameters
-  -0.00400    0.00   0.00000    0.00            ABS: ABSCOR1  ABSCOR2
-!-------> Profile Parameters for Pattern #   5  ----> Phase #   1
-!  Scale          Extinc       Bov      Str1      Str2      Str3    Strain-Mode
-  4.116436        0.0000    0.0000    0.0000    0.0000    0.0000         0
-       0.00000      0.00      0.00      0.00      0.00      0.00
-!      Sigma-2       Sigma-1       Sigma-0       Sigma-Q   Iso-GStrain     Iso-GSize     Ani-LSize   Size-Model
-       15.4063        0.0000        0.0000        0.0000        0.0000        0.0000        0.0000       0
-          0.00          0.00          0.00          0.00          0.00          0.00          0.00
-!      Gamma-2       Gamma-1       Gamma-0   Iso-LorStrain   Iso-LorSize
-        0.0000        8.2904        0.0000        0.0000        0.0000
-          0.00          0.00          0.00          0.00          0.00
-!     a          b         c        alpha      beta       gamma      # Cell Info
-  10.250256  10.250256  10.250256  90.000000  90.000000  90.000000   
-    0.00000    0.00000    0.00000    0.00000    0.00000    0.00000
-!      Pref1      Pref2        alph0       beta0       alph1       beta1       alphQ       betaQ
-    1.000000    0.000000    0.014439    0.004707    0.055070    0.137368    0.000000    0.000000
-        0.00        0.00        0.00        0.00        0.00        0.00        0.00        0.00
-!Absorption correction parameters
-   0.00000    0.00   0.00000    0.00            ABS: ABSCOR1  ABSCOR2
 !  2Th1/TOF1    2Th2/TOF2  Pattern to plot
     9000.000  103417.672       1
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.prf b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.prf
new file mode 100644
index 000000000..f39394aee
--- /dev/null
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.prf
@@ -0,0 +1,5972 @@
+IGOR
+WAVES     TOF,       Iobs,   Icalc,  Diff
+BEGIN
+    7267.568        0.00      522.60     -522.60
+    7272.252        0.00      522.60     -522.60
+    7276.940        0.00      522.60     -522.60
+    7281.630        0.00      522.60     -522.60
+    7286.324        0.00      522.60     -522.60
+    7291.020        0.00      522.60     -522.60
+    7295.720        0.00      522.60     -522.60
+    7300.422        0.00      522.60     -522.60
+    7305.127      449.27      522.60      -73.33
+    7309.836      118.19      522.60     -404.41
+    7314.548      288.68      522.60     -233.92
+    7319.262       93.98      522.60     -428.62
+    7323.980        0.11      522.60     -522.50
+    7328.701       52.32      522.60     -470.28
+    7333.424      220.19      522.60     -302.42
+    7338.151      287.00      522.60     -235.60
+    7342.881      574.83      522.60       52.23
+    7347.614       77.05      522.60     -445.55
+    7352.350      339.57      522.60     -183.03
+    7357.089      329.30      522.60     -193.30
+    7361.831      281.14      522.60     -241.46
+    7366.576      302.11      522.60     -220.49
+    7371.324       63.63      522.60     -458.98
+    7376.076       33.07      522.60     -489.53
+    7380.830      510.59      522.60      -12.01
+    7385.587      230.09      522.60     -292.51
+    7390.348      328.85      522.60     -193.75
+    7395.111     1203.28      522.60      680.68
+    7399.877      907.92      522.60      385.32
+    7404.647     1197.18      522.60      674.58
+    7409.420     1016.34      522.60      493.74
+    7414.196     2240.20      522.60     1717.60
+    7418.975     1774.26      522.60     1251.66
+    7423.756     1469.44      522.60      946.84
+    7428.542     1636.51      522.60     1113.91
+    7433.330     2291.75      522.60     1769.15
+    7438.121     1867.31      522.60     1344.70
+    7442.915     1677.06      522.60     1154.46
+    7447.712     1849.24      522.60     1326.63
+    7452.513     1960.46      522.60     1437.86
+    7457.316     2537.92      522.60     2015.32
+    7462.123     2400.59      522.60     1877.99
+    7466.933     2287.88      522.60     1765.28
+    7471.746     1519.85      522.60      997.25
+    7476.562     1646.69      522.60     1124.09
+    7481.381     2186.02      522.60     1663.42
+    7486.203     1701.71      522.60     1179.10
+    7491.028     1674.66      522.60     1152.06
+    7495.856     1627.83      522.60     1105.23
+    7500.688     1146.16      522.60      623.56
+    7505.522     1248.85      522.60      726.25
+    7510.360     1388.97      522.60      866.37
+    7515.201     1701.34      522.60     1178.74
+    7520.045     1884.14      522.60     1361.54
+    7524.892     1946.75      522.60     1424.15
+    7529.742     1590.63      522.60     1068.03
+    7534.596     1182.23      522.60      659.63
+    7539.452     1812.14      522.60     1289.54
+    7544.312     1926.25      522.60     1403.65
+    7549.174     1670.06      522.60     1147.46
+    7554.041     1746.58      522.60     1223.97
+    7558.909     1641.55      522.60     1118.94
+    7563.781     1732.62      522.60     1210.02
+    7568.657     1646.05      522.60     1123.45
+    7573.535     1522.75      522.60     1000.15
+    7578.417     1682.88      522.60     1160.28
+    7583.301     1725.99      522.60     1203.39
+    7588.189     1662.46      522.60     1139.86
+    7593.080     1258.27      522.60      735.67
+    7597.975     1844.54      522.60     1321.94
+    7602.872     1663.73      522.60     1141.13
+    7607.772     1447.61      522.60      925.01
+    7612.676     1338.83      522.60      816.23
+    7617.583     1302.70      522.60      780.10
+    7622.493     1530.08      522.60     1007.48
+    7627.406     1211.83      522.60      689.23
+    7632.322     1002.73      522.60      480.12
+    7637.241     1377.99      522.60      855.39
+    7642.164     1415.41      522.60      892.81
+    7647.090     1778.99      522.60     1256.38
+    7652.019      939.64      522.60      417.03
+    7656.951     1326.41      522.60      803.81
+    7661.886     1269.73      522.60      747.13
+    7666.825     1126.14      522.60      603.54
+    7671.767     1210.05      522.60      687.45
+    7676.711     1389.37      522.60      866.77
+    7681.659     1530.99      522.60     1008.39
+    7686.611     1437.31      522.60      914.71
+    7691.565     1279.51      522.60      756.91
+    7696.522      968.78      522.60      446.18
+    7701.483     1269.56      522.60      746.96
+    7706.448     1242.28      522.60      719.68
+    7711.415     1262.36      522.60      739.76
+    7716.385     1489.85      522.60      967.25
+    7721.359     1628.59      522.60     1105.99
+    7726.335     1371.77      522.60      849.17
+    7731.316     1289.96      522.60      767.36
+    7736.299     1053.16      522.60      530.56
+    7741.286     1451.75      522.60      929.14
+    7746.275     1272.33      522.60      749.73
+    7751.268     1438.55      522.60      915.95
+    7756.264     1156.83      522.60      634.23
+    7761.264     1230.93      522.60      708.33
+    7766.266     1406.02      522.60      883.42
+    7771.272     1790.86      522.60     1268.26
+    7776.281     1543.77      522.60     1021.16
+    7781.293     1505.07      522.60      982.47
+    7786.309     1427.61      522.60      905.01
+    7791.327     1278.27      522.60      755.67
+    7796.349     1178.86      522.60      656.26
+    7801.375     1242.29      522.60      719.69
+    7806.403     1420.98      522.60      898.38
+    7811.435     1492.92      522.60      970.32
+    7816.469      994.65      522.60      472.05
+    7821.507      936.32      522.60      413.72
+    7826.549     1162.99      522.60      640.38
+    7831.593     1482.61      522.60      960.01
+    7836.641     1319.79      522.60      797.19
+    7841.692     1404.38      522.60      881.78
+    7846.747     1359.45      522.60      836.85
+    7851.805     1272.58      522.60      749.97
+    7856.865     1171.46      522.60      648.86
+    7861.930     1548.45      522.60     1025.85
+    7866.997     1082.65      522.60      560.05
+    7872.068      935.81      522.60      413.21
+    7877.142     1481.59      522.60      958.99
+    7882.219     1051.19      522.60      528.59
+    7887.299     1083.74      522.60      561.14
+    7892.383      876.89      522.60      354.29
+    7897.470     1148.22      522.60      625.62
+    7902.561     1076.86      522.60      554.26
+    7907.654     1033.96      522.60      511.36
+    7912.751     1268.66      522.60      746.06
+    7917.852     1331.66      522.60      809.06
+    7922.955      922.58      522.60      399.98
+    7928.062      727.40      522.60      204.80
+    7933.172      829.42      522.60      306.82
+    7938.285      974.94      522.60      452.34
+    7943.402     1090.12      522.60      567.52
+    7948.522     1175.24      522.60      652.64
+    7953.645     1343.68      522.60      821.08
+    7958.771     1314.46      522.60      791.86
+    7963.901     1094.52      522.60      571.92
+    7969.035      994.21      522.60      471.61
+    7974.171     1087.60      522.60      564.99
+    7979.311     1190.64      522.60      668.03
+    7984.454     1190.54      522.60      667.94
+    7989.601     1268.86      522.60      746.26
+    7994.750     1099.84      522.60      577.24
+    7999.903     1191.64      522.60      669.04
+    8005.060     1055.00      522.60      532.40
+    8010.219     1192.63      522.60      670.03
+    8015.382     1157.49      522.60      634.89
+    8020.549     1410.47      522.60      887.87
+    8025.718     1016.46      522.60      493.86
+    8030.892     1068.15      522.60      545.55
+    8036.068     1263.80      522.60      741.20
+    8041.248      960.58      522.60      437.98
+    8046.431     1301.07      522.60      778.47
+    8051.617     1103.00      522.60      580.39
+    8056.807      863.67      522.60      341.07
+    8062.000     1066.88      522.60      544.28
+    8067.196     1177.27      522.60      654.67
+    8072.396      946.70      522.60      424.10
+    8077.599     1195.47      522.60      672.87
+    8082.805      969.39      522.60      446.79
+    8088.015     1223.69      522.60      701.09
+    8093.228      870.73      522.60      348.13
+    8098.445      944.22      522.60      421.62
+    8103.665      883.67      522.60      361.07
+    8108.888     1262.18      522.60      739.58
+    8114.115     1109.68      522.60      587.08
+    8119.345     1139.02      522.60      616.42
+    8124.578      832.47      522.60      309.87
+    8129.814     1187.02      522.60      664.42
+    8135.055     1446.84      522.60      924.24
+    8140.298     1324.62      522.60      802.02
+    8145.545      987.47      522.60      464.87
+    8150.795     1102.61      522.60      580.01
+    8156.049     1158.33      522.60      635.73
+    8161.306      825.50      522.60      302.90
+    8166.566      899.25      522.60      376.64
+    8171.830     1002.14      522.60      479.54
+    8177.097     1050.41      522.60      527.81
+    8182.368     1183.85      522.60      661.25
+    8187.642     1067.26      522.60      544.66
+    8192.919      864.63      522.60      342.02
+    8198.200      945.07      522.60      422.47
+    8203.484     1195.69      522.60      673.09
+    8208.771     1146.38      522.60      623.77
+    8214.062     1004.37      522.60      481.77
+    8219.357     1257.25      522.60      734.64
+    8224.655     1050.92      522.60      528.32
+    8229.956      889.67      522.60      367.07
+    8235.261      835.07      522.60      312.47
+    8240.569      912.89      522.60      390.28
+    8245.881      829.93      522.60      307.33
+    8251.195      973.02      522.60      450.42
+    8256.514      862.47      522.60      339.87
+    8261.836     1050.71      522.60      528.11
+    8267.161      882.11      522.60      359.51
+    8272.489      928.08      522.60      405.48
+    8277.821      844.19      522.60      321.59
+    8283.157     1186.96      522.60      664.36
+    8288.496      974.88      522.60      452.28
+    8293.839      959.05      522.60      436.45
+    8299.185     1169.46      522.60      646.86
+    8304.533      847.63      522.60      325.03
+    8309.887      901.35      522.60      378.75
+    8315.242      984.49      522.60      461.89
+    8320.603      875.82      522.60      353.22
+    8325.965     1153.61      522.60      631.01
+    8331.332     1138.88      522.60      616.28
+    8336.702     1041.39      522.60      518.78
+    8342.075     1173.76      522.60      651.16
+    8347.452      980.54      522.60      457.94
+    8352.832      958.18      522.60      435.58
+    8358.217      834.93      522.60      312.33
+    8363.604     1100.55      522.60      577.94
+    8368.994     1378.51      522.60      855.91
+    8374.389     1043.62      522.60      521.02
+    8379.786     1085.19      522.60      562.58
+    8385.188     1157.18      522.60      634.58
+    8390.593     1134.58      522.60      611.98
+    8396.001     1061.36      522.60      538.76
+    8401.412      962.16      522.60      439.56
+    8406.827      870.33      522.60      347.73
+    8412.246     1124.11      522.60      601.51
+    8417.668     1012.71      522.60      490.11
+    8423.094      998.85      522.60      476.25
+    8428.523     1080.77      522.60      558.17
+    8433.956     1149.63      522.60      627.03
+    8439.392      884.04      522.60      361.44
+    8444.831     1078.90      522.60      556.30
+    8450.274     1034.15      522.60      511.55
+    8455.722     1004.81      522.60      482.21
+    8461.172      751.06      522.60      228.46
+    8466.625      887.24      522.60      364.63
+    8472.082      819.61      522.60      297.01
+    8477.543      972.37      522.60      449.77
+    8483.008      769.30      522.60      246.70
+    8488.476      903.86      522.60      381.25
+    8493.946     1036.20      522.60      513.60
+    8499.421      762.17      522.60      239.57
+    8504.899      933.09      522.60      410.48
+    8510.382      810.59      522.60      287.99
+    8515.867      827.60      522.60      305.00
+    8521.355      837.08      522.60      314.47
+    8526.849      622.96      522.60      100.36
+    8532.345      994.53      522.60      471.93
+    8537.844      947.26      522.60      424.66
+    8543.347     1246.47      522.60      723.87
+    8548.854      989.62      522.60      467.02
+    8554.364      963.51      522.60      440.91
+    8559.878      766.37      522.60      243.76
+    8565.395      785.69      522.60      263.09
+    8570.916      964.10      522.60      441.50
+    8576.440     1249.14      522.60      726.54
+    8581.968     1109.89      522.60      587.29
+    8587.500     1312.81      522.60      790.21
+    8593.035      848.56      522.60      325.96
+    8598.573      844.98      522.60      322.37
+    8604.116     1168.23      522.60      645.63
+    8609.661      918.90      522.60      396.30
+    8615.211      762.56      522.60      239.96
+    8620.764     1031.33      522.60      508.73
+    8626.320      816.67      522.60      294.07
+    8631.881      962.31      522.60      439.71
+    8637.444      807.73      522.60      285.12
+    8643.012      807.53      522.60      284.93
+    8648.583      884.90      522.60      362.30
+    8654.157      977.81      522.60      455.21
+    8659.735      878.90      522.60      356.30
+    8665.316      860.78      522.60      338.18
+    8670.902      745.81      522.60      223.21
+    8676.491      683.83      522.60      161.23
+    8682.083      990.59      522.60      467.99
+    8687.680      854.29      522.60      331.69
+    8693.279      682.28      522.60      159.68
+    8698.883      887.72      522.60      365.12
+    8704.489      850.41      522.60      327.81
+    8710.100      741.04      522.60      218.43
+    8715.714      649.88      522.60      127.28
+    8721.332      766.45      522.60      243.85
+    8726.953      662.31      522.60      139.71
+    8732.578      641.47      522.60      118.87
+    8738.207      856.48      522.60      333.87
+    8743.839      816.10      522.60      293.50
+    8749.475      819.04      522.60      296.44
+    8755.114      729.87      522.60      207.27
+    8760.758      703.05      522.60      180.45
+    8766.404      722.40      522.60      199.80
+    8772.055      658.49      522.60      135.89
+    8777.709      657.90      522.60      135.30
+    8783.366      590.46      522.60       67.86
+    8789.028      589.15      522.60       66.55
+    8794.693      668.67      522.60      146.07
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+END
+WAVES Excrg1, excl1
+BEGIN
+     7267.57       -470
+     9000.00       -470
+END
+WAVES Excrg2, excl2
+BEGIN
+   104000.00       -470
+   103417.67       -470
+END
+X Silent 1
+X DefaultFont Times
+X Display Iobs, Icalc, Diff vs TOF
+X Modify mode(Iobs)=2, rgb(Iobs)=(0,0,0), rgb(Diff)=(3800,44400,4000)
+X SetAxis bottom  7267.57, ********
+X Modify lsize(Iobs)=2
+X Modify offset(Diff)={0,  -2602}
+X Modify wbRGB=(48483,64909,65535), gbRGB=(64612,65535,49415)
+X Modify mirror(left)=2, mirror(bottom)=2
+X Modify gfSize=12
+X Append excl1 vs Excrg1
+X Modify mode(excl1)=7, hbFill(excl1)=4
+X Modify rgb(excl1)=(6421,62320,64794)
+X Append excl2 vs Excrg2
+X Modify mode(excl2)=7, hbFill(excl2)=4
+X Modify rgb(excl2)=(6421,62320,64794)
+X Append tik1 vs Phase1
+X Modify mode(tik1)=1
+X TextBox /F=2/S=3/A=RT "Files: tmpl_one_bank\rDate of fit: \Z09 09/06/2026/ 15:11:13.9\Z12\rY5Al3O12 Nuclear\rChi2 =   15.25"
+X Label left "\Z14Intensity"
+X Label bottom "\Z14 TOF(in micro-seconds)"
+X TileWindows/O=1/C
+X ShowInfo
+X | Title of data set: YAG highres
+X | Date of run: 09/06/2026 / 15:11:13.9
+X Beep
+X Beep
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.sum b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.sum
index d66ca4399..526dc2e5f 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.sum
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank.sum
@@ -1,53 +1,21 @@
 
 
         **********************************************************
-        ** PROGRAM FullProf.2k (Version 8.40 - Feb2026-ILL JRC) **
+        ** PROGRAM FullProf.2k (Version 7.95 - Jan2023-ILL JRC) **
         **********************************************************
                        M U L T I -- P A T T E R N                 
             Rietveld, Profile Matching & Integrated Intensity     
                  Refinement of X-ray and/or Neutron Data
 
 
-    Date: 09/06/2026  Time: 12:42:04.250                              
+    Date: 09/06/2026  Time: 15:11:13.659                              
 
  => PCR file code: tmpl_one_bank
  => DAT file code: 55025-5_6raw.gss     -> Relative contribution: 1.0000                                                            
- => DAT file code: 55025-4_7raw.gss     -> Relative contribution: 1.0000                                                            
- => DAT file code: 55025-3_8raw.gss     -> Relative contribution: 1.0000                                                            
- => DAT file code: 55025-2_9raw.gss     -> Relative contribution: 1.0000                                                            
- => DAT file code: 55025-1_10raw.gss    -> Relative contribution: 1.0000                                                            
  => Title:YAG highres
 
  ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  1
 
- => Global Refinement of neutron powder data                                                                                        
- => Neutron Time-Of-Flight data                                                                                                     
- => Abcisa variable is T.O.F. in microsecs
- => The   13th default profile function was selected
-
- ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  2
-
- => Global Refinement of neutron powder data                                                                                        
- => Neutron Time-Of-Flight data                                                                                                     
- => Abcisa variable is T.O.F. in microsecs
- => The   13th default profile function was selected
-
- ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  3
-
- => Global Refinement of neutron powder data                                                                                        
- => Neutron Time-Of-Flight data                                                                                                     
- => Abcisa variable is T.O.F. in microsecs
- => The   13th default profile function was selected
-
- ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  4
-
- => Global Refinement of neutron powder data                                                                                        
- => Neutron Time-Of-Flight data                                                                                                     
- => Abcisa variable is T.O.F. in microsecs
- => The   13th default profile function was selected
-
- ==> CONDITIONS OF THIS RUN FOR PATTERN No.:  5
-
  => Global Refinement of neutron powder data                                                                                        
  => Neutron Time-Of-Flight data                                                                                                     
  => Abcisa variable is T.O.F. in microsecs
@@ -55,48 +23,12 @@
  => Invalid instr parameter for pattern:  1
  => Absorption correction type: 2
  => Base of peaks: 2.0*HW*   40.00
- => Invalid instr parameter for pattern:  2
- => Absorption correction type: 2
- => Base of peaks: 2.0*HW*   40.00
- => Invalid instr parameter for pattern:  3
- => Absorption correction type: 2
- => Base of peaks: 2.0*HW*   40.00
- => Invalid instr parameter for pattern:  4
- => Absorption correction type: 2
- => Base of peaks: 2.0*HW*   40.00
- => Invalid instr parameter for pattern:  5
- => Absorption correction type: 2
- => Base of peaks: 2.0*HW*   40.00
  ==> T.O.F. range, and number of points:
     TOFmin:    7267.568359  TOFmax:  103417.671875
     No. of points:   4122
- ==> T.O.F. range, and number of points:
-    TOFmin:    7463.463379  TOFmax:  109083.484375
-    No. of points:   4044
- ==> T.O.F. range, and number of points:
-    TOFmin:    7549.536621  TOFmax:  117086.195312
-    No. of points:   3972
- ==> T.O.F. range, and number of points:
-    TOFmin:    5202.200195  TOFmax:  136018.015625
-    No. of points:   4398
- ==> T.O.F. range, and number of points:
-    TOFmin:    4002.317139  TOFmax:  265781.843750
-    No. of points:   4462
  =>-------> Pattern#  1
  => Crystal Structure Refinement for phase: 1
  => The    9th profile function was selected for phase no.  1
- =>-------> Pattern#  2
- => Crystal Structure Refinement for phase: 1
- => The    9th profile function was selected for phase no.  1
- =>-------> Pattern#  3
- => Crystal Structure Refinement for phase: 1
- => The    9th profile function was selected for phase no.  1
- =>-------> Pattern#  4
- => Crystal Structure Refinement for phase: 1
- => The    9th profile function was selected for phase no.  1
- =>-------> Pattern#  5
- => Crystal Structure Refinement for phase: 1
- => The    9th profile function was selected for phase no.  1
  => The density (volumic mass) of phase 1 is:    2.998 g/cm3
  => Scor: 3.2042
 
@@ -175,8 +107,8 @@
 
 
  => Absorption parameters: 
-                              0.00000       0.00000    
-                              0.00000       0.00000    
+                              0.00000   0.00000
+                              0.00000   0.00000
 
 
 
@@ -199,7 +131,7 @@
  => Rp:  17.7     Rwp:  12.5     Rexp:    3.21 Chi2:  15.2    
  => Deviance:  0.338E+05     Dev*  :   8.929    
  => DW-Stat.:    0.3495     DW-exp:     1.8991
- => N-sigma of the GoF:      620.211
+ => N-sigma of the GoF:      620.204
 
  ==> RELIABILITY FACTORS FOR POINTS WITH BRAGG CONTRIBUTIONS FOR PATTERN:  1
 
@@ -210,7 +142,7 @@
  => Rp:  17.5     Rwp:  12.5     Rexp:    3.14 Chi2:  15.9    
  => Deviance:  0.336E+05     Dev*  :   9.232    
  => DW-Stat.:    0.3501     DW-exp:     1.8970
- => N-sigma of the GoF:      633.890
+ => N-sigma of the GoF:      633.883
 
  => Global user-weigthed Chi2 (Bragg contrib.):   15.9    
 
@@ -223,7 +155,7 @@
  => Rf-factor=  19.6             ATZ:       17501.770   Brindley:  1.0000
 
  
-              CPU Time:     0.734 seconds
-                            0.012 minutes
+              CPU Time:     0.320 seconds
+                            0.005 minutes
 
- => Run finished at:     Date: 09/06/2026  Time: 12:42:04.985                              
+ => Run finished at:     Date: 09/06/2026  Time: 15:11:13.975                              
diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_1.sub b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1.sub
similarity index 52%
rename from docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_1.sub
rename to docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1.sub
index 3e8b79749..3a3b2d9e5 100644
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_1.sub
+++ b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1.sub
@@ -331,300 +331,300 @@
    8997.582031        0.0000
    9003.372070        0.0000
    9009.166016        0.0000
-   9014.963867      167.2298
+   9014.963867      167.2297
    9020.765625       34.2561
-   9026.571289       10.4336
-   9032.380859        8.4304
-   9038.193359       15.1196
-   9044.009766       58.0929
-   9049.831055       40.8198
-   9055.654297       18.7962
-   9061.482422       46.8253
-   9067.314453       20.7827
-   9073.149414       17.8116
-   9078.989258       52.5442
-   9084.832031       17.3293
-   9090.678711       20.6131
-   9096.529297       48.5306
-   9102.383789       22.5481
-   9108.241211       54.9005
-   9114.103516       89.5091
-   9119.968750       20.5115
-   9125.837891       12.3352
-   9131.710938       12.6271
-   9137.587891       16.3090
-   9143.468750       59.4075
-   9149.353516       42.8002
+   9026.571289       10.4334
+   9032.380859        8.4296
+   9038.193359       15.1163
+   9044.009766       58.0792
+   9049.831055       40.8294
+   9055.654297       18.7957
+   9061.482422       46.8169
+   9067.314453       20.7882
+   9073.149414       17.8159
+   9078.989258       52.5461
+   9084.832031       17.3269
+   9090.678711       20.6163
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+   9131.710938       12.6274
+   9137.587891       16.3091
+   9143.468750       59.4076
+   9149.353516       42.8003
    9155.242188        9.1624
    9161.133789        2.6389
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-   9220.264648       50.2382
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diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_2.sub b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_2.sub
deleted file mode 100644
index d12609651..000000000
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_2.sub
+++ /dev/null
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diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_3.sub b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_3.sub
deleted file mode 100644
index a7a3321c7..000000000
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_3.sub
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diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_4.sub b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_4.sub
deleted file mode 100644
index 13833d676..000000000
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_4.sub
+++ /dev/null
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diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_5.sub b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_5.sub
deleted file mode 100644
index cde91b10f..000000000
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank1_5.sub
+++ /dev/null
@@ -1,4463 +0,0 @@
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diff --git a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.prf b/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.prf
deleted file mode 100644
index 70d61ad51..000000000
--- a/docs/docs/verification/fullprof/pd-neut-tof_jvd_ncaf/tmpl_one_bank_1.prf
+++ /dev/null
@@ -1,5934 +0,0 @@
-YAG highres   Chi2: 15.2493  CELL:   10.25026  10.25026  10.25026   90.0000   90.0000   90.0000   SPGR: I 21 3                 TEMP:      0.00
-  1   4122     1.00000     1.00000   -13.88128 20773.12305    -1.08308    1
-  1806     0     2
-       0.00000    9000.00000
-  104000.00000  300000.00000
- T.O.F.	Yobs	Ycal	Yobs-Ycal	Backg	Posr	(hkl)	K
-   7267.5684	     0.0	   522.6	 -3530.0	   458.4
-   7272.2524	     0.0	   522.6	 -3530.0	   458.4
-   7276.9399	     0.0	   522.6	 -3530.0	   458.4
-   7281.6304	     0.0	   522.6	 -3530.0	   458.4
-   7286.3237	     0.0	   522.6	 -3530.0	   458.4
-   7291.0200	     0.0	   522.6	 -3530.0	   458.4
-   7295.7197	     0.0	   522.6	 -3530.0	   458.4
-   7300.4219	     0.0	   522.6	 -3530.0	   458.4
-   7305.1274	   449.3	   522.6	 -3530.0	   458.4
-   7309.8364	   118.2	   522.6	 -3530.0	   458.4
-   7314.5479	   288.7	   522.6	 -3530.0	   458.4
-   7319.2622	    94.0	   522.6	 -3530.0	   458.4
-   7323.9800	     0.1	   522.6	 -3530.0	   458.4
-   7328.7007	    52.3	   522.6	 -3530.0	   458.4
-   7333.4243	   220.2	   522.6	 -3530.0	   458.4
-   7338.1514	   287.0	   522.6	 -3530.0	   458.4
-   7342.8813	   574.8	   522.6	 -3530.0	   458.4
-   7347.6143	    77.1	   522.6	 -3530.0	   458.4
-   7352.3501	   339.6	   522.6	 -3530.0	   458.4
-   7357.0889	   329.3	   522.6	 -3530.0	   458.4
-   7361.8311	   281.1	   522.6	 -3530.0	   458.4
-   7366.5762	   302.1	   522.6	 -3530.0	   458.4
-   7371.3242	    63.6	   522.6	 -3530.0	   458.4
-   7376.0757	    33.1	   522.6	 -3530.0	   458.4
-   7380.8296	   510.6	   522.6	 -3530.0	   458.4
-   7385.5869	   230.1	   522.6	 -3530.0	   458.4
-   7390.3477	   328.8	   522.6	 -3530.0	   458.4
-   7395.1108	  1203.3	   522.6	 -3530.0	   458.4
-   7399.8774	   907.9	   522.6	 -3530.0	   458.4
-   7404.6470	  1197.2	   522.6	 -3530.0	   458.4
-   7409.4199	  1016.3	   522.6	 -3530.0	   458.4
-   7414.1958	  2240.2	   522.6	 -3530.0	   458.4
-   7418.9746	  1774.3	   522.6	 -3530.0	   458.4
-   7423.7563	  1469.4	   522.6	 -3530.0	   458.4
-   7428.5415	  1636.5	   522.6	 -3530.0	   458.4
-   7433.3296	  2291.8	   522.6	 -3530.0	   458.4
-   7438.1206	  1867.3	   522.6	 -3530.0	   458.4
-   7442.9150	  1677.1	   522.6	 -3530.0	   458.4
-   7447.7124	  1849.2	   522.6	 -3530.0	   458.4
-   7452.5127	  1960.5	   522.6	 -3530.0	   458.4
-   7457.3164	  2537.9	   522.6	 -3530.0	   458.4
-   7462.1230	  2400.6	   522.6	 -3530.0	   458.4
-   7466.9326	  2287.9	   522.6	 -3530.0	   458.4
-   7471.7456	  1519.9	   522.6	 -3530.0	   458.4
-   7476.5615	  1646.7	   522.6	 -3530.0	   458.4
-   7481.3809	  2186.0	   522.6	 -3530.0	   458.4
-   7486.2026	  1701.7	   522.6	 -3530.0	   458.4
-   7491.0283	  1674.7	   522.6	 -3530.0	   458.4
-   7495.8564	  1627.8	   522.6	 -3530.0	   458.4
-   7500.6880	  1146.2	   522.6	 -3530.0	   458.4
-   7505.5225	  1248.9	   522.6	 -3530.0	   458.4
-   7510.3604	  1389.0	   522.6	 -3530.0	   458.4
-   7515.2012	  1701.3	   522.6	 -3530.0	   458.4
-   7520.0449	  1884.1	   522.6	 -3530.0	   458.4
-   7524.8921	  1946.7	   522.6	 -3530.0	   458.4
-   7529.7422	  1590.6	   522.6	 -3530.0	   458.4
-   7534.5957	  1182.2	   522.6	 -3530.0	   458.4
-   7539.4521	  1812.1	   522.6	 -3530.0	   458.4
-   7544.3115	  1926.2	   522.6	 -3530.0	   458.4
-   7549.1743	  1670.1	   522.6	 -3530.0	   458.4
-   7554.0405	  1746.6	   522.6	 -3530.0	   458.4
-   7558.9092	  1641.5	   522.6	 -3530.0	   458.4
-   7563.7812	  1732.6	   522.6	 -3530.0	   458.4
-   7568.6567	  1646.0	   522.6	 -3530.0	   458.4
-   7573.5352	  1522.8	   522.6	 -3530.0	   458.4
-   7578.4165	  1682.9	   522.6	 -3530.0	   458.4
-   7583.3013	  1726.0	   522.6	 -3530.0	   458.4
-   7588.1895	  1662.5	   522.6	 -3530.0	   458.4
-   7593.0801	  1258.3	   522.6	 -3530.0	   458.4
-   7597.9746	  1844.5	   522.6	 -3530.0	   458.4
-   7602.8716	  1663.7	   522.6	 -3530.0	   458.4
-   7607.7720	  1447.6	   522.6	 -3530.0	   458.4
-   7612.6758	  1338.8	   522.6	 -3530.0	   458.4
-   7617.5825	  1302.7	   522.6	 -3530.0	   458.4
-   7622.4927	  1530.1	   522.6	 -3530.0	   458.4
-   7627.4058	  1211.8	   522.6	 -3530.0	   458.4
-   7632.3218	  1002.7	   522.6	 -3530.0	   458.4
-   7637.2412	  1378.0	   522.6	 -3530.0	   458.4
-   7642.1641	  1415.4	   522.6	 -3530.0	   458.4
-   7647.0898	  1779.0	   522.6	 -3530.0	   458.4
-   7652.0186	   939.6	   522.6	 -3530.0	   458.4
-   7656.9507	  1326.4	   522.6	 -3530.0	   458.4
-   7661.8862	  1269.7	   522.6	 -3530.0	   458.4
-   7666.8247	  1126.1	   522.6	 -3530.0	   458.4
-   7671.7666	  1210.1	   522.6	 -3530.0	   458.4
-   7676.7114	  1389.4	   522.6	 -3530.0	   458.4
-   7681.6592	  1531.0	   522.6	 -3530.0	   458.4
-   7686.6108	  1437.3	   522.6	 -3530.0	   458.4
-   7691.5649	  1279.5	   522.6	 -3530.0	   458.4
-   7696.5225	   968.8	   522.6	 -3530.0	   458.4
-   7701.4834	  1269.6	   522.6	 -3530.0	   458.4
-   7706.4478	  1242.3	   522.6	 -3530.0	   458.4
-   7711.4146	  1262.4	   522.6	 -3530.0	   458.4
-   7716.3853	  1489.9	   522.6	 -3530.0	   458.4
-   7721.3589	  1628.6	   522.6	 -3530.0	   458.4
-   7726.3354	  1371.8	   522.6	 -3530.0	   458.4
-   7731.3159	  1290.0	   522.6	 -3530.0	   458.4
-   7736.2988	  1053.2	   522.6	 -3530.0	   458.4
-   7741.2856	  1451.7	   522.6	 -3530.0	   458.4
-   7746.2749	  1272.3	   522.6	 -3530.0	   458.4
-   7751.2681	  1438.6	   522.6	 -3530.0	   458.4
-   7756.2642	  1156.8	   522.6	 -3530.0	   458.4
-   7761.2637	  1230.9	   522.6	 -3530.0	   458.4
-   7766.2661	  1406.0	   522.6	 -3530.0	   458.4
-   7771.2720	  1790.9	   522.6	 -3530.0	   458.4
-   7776.2808	  1543.8	   522.6	 -3530.0	   458.4
-   7781.2930	  1505.1	   522.6	 -3530.0	   458.4
-   7786.3086	  1427.6	   522.6	 -3530.0	   458.4
-   7791.3271	  1278.3	   522.6	 -3530.0	   458.4
-   7796.3491	  1178.9	   522.6	 -3530.0	   458.4
-   7801.3745	  1242.3	   522.6	 -3530.0	   458.4
-   7806.4028	  1421.0	   522.6	 -3530.0	   458.4
-   7811.4346	  1492.9	   522.6	 -3530.0	   458.4
-   7816.4692	   994.7	   522.6	 -3530.0	   458.4
-   7821.5073	   936.3	   522.6	 -3530.0	   458.4
-   7826.5488	  1163.0	   522.6	 -3530.0	   458.4
-   7831.5933	  1482.6	   522.6	 -3530.0	   458.4
-   7836.6411	  1319.8	   522.6	 -3530.0	   458.4
-   7841.6924	  1404.4	   522.6	 -3530.0	   458.4
-   7846.7471	  1359.4	   522.6	 -3530.0	   458.4
-   7851.8047	  1272.6	   522.6	 -3530.0	   458.4
-   7856.8652	  1171.5	   522.6	 -3530.0	   458.4
-   7861.9297	  1548.5	   522.6	 -3530.0	   458.4
-   7866.9971	  1082.6	   522.6	 -3530.0	   458.4
-   7872.0679	   935.8	   522.6	 -3530.0	   458.4
-   7877.1416	  1481.6	   522.6	 -3530.0	   458.4
-   7882.2192	  1051.2	   522.6	 -3530.0	   458.4
-   7887.2993	  1083.7	   522.6	 -3530.0	   458.4
-   7892.3833	   876.9	   522.6	 -3530.0	   458.4
-   7897.4702	  1148.2	   522.6	 -3530.0	   458.4
-   7902.5605	  1076.9	   522.6	 -3530.0	   458.4
-   7907.6543	  1034.0	   522.6	 -3530.0	   458.4
-   7912.7515	  1268.7	   522.6	 -3530.0	   458.4
-   7917.8516	  1331.7	   522.6	 -3530.0	   458.4
-   7922.9551	   922.6	   522.6	 -3530.0	   458.4
-   7928.0620	   727.4	   522.6	 -3530.0	   458.4
-   7933.1719	   829.4	   522.6	 -3530.0	   458.4
-   7938.2852	   974.9	   522.6	 -3530.0	   458.4
-   7943.4019	  1090.1	   522.6	 -3530.0	   458.4
-   7948.5220	  1175.2	   522.6	 -3530.0	   458.4
-   7953.6450	  1343.7	   522.6	 -3530.0	   458.4
-   7958.7715	  1314.5	   522.6	 -3530.0	   458.4
-   7963.9014	  1094.5	   522.6	 -3530.0	   458.4
-   7969.0347	   994.2	   522.6	 -3530.0	   458.4
-   7974.1714	  1087.6	   522.6	 -3530.0	   458.4
-   7979.3110	  1190.6	   522.6	 -3530.0	   458.4
-   7984.4541	  1190.5	   522.6	 -3530.0	   458.4
-   7989.6006	  1268.9	   522.6	 -3530.0	   458.4
-   7994.7500	  1099.8	   522.6	 -3530.0	   458.4
-   7999.9033	  1191.6	   522.6	 -3530.0	   458.4
-   8005.0596	  1055.0	   522.6	 -3530.0	   458.4
-   8010.2192	  1192.6	   522.6	 -3530.0	   458.4
-   8015.3823	  1157.5	   522.6	 -3530.0	   458.4
-   8020.5488	  1410.5	   522.6	 -3530.0	   458.4
-   8025.7183	  1016.5	   522.6	 -3530.0	   458.4
-   8030.8916	  1068.2	   522.6	 -3530.0	   458.4
-   8036.0679	  1263.8	   522.6	 -3530.0	   458.4
-   8041.2476	   960.6	   522.6	 -3530.0	   458.4
-   8046.4307	  1301.1	   522.6	 -3530.0	   458.4
-   8051.6167	  1103.0	   522.6	 -3530.0	   458.4
-   8056.8066	   863.7	   522.6	 -3530.0	   458.4
-   8061.9995	  1066.9	   522.6	 -3530.0	   458.4
-   8067.1958	  1177.3	   522.6	 -3530.0	   458.4
-   8072.3955	   946.7	   522.6	 -3530.0	   458.4
-   8077.5986	  1195.5	   522.6	 -3530.0	   458.4
-   8082.8052	   969.4	   522.6	 -3530.0	   458.4
-   8088.0151	  1223.7	   522.6	 -3530.0	   458.4
-   8093.2280	   870.7	   522.6	 -3530.0	   458.4
-   8098.4448	   944.2	   522.6	 -3530.0	   458.4
-   8103.6646	   883.7	   522.6	 -3530.0	   458.4
-   8108.8882	  1262.2	   522.6	 -3530.0	   458.4
-   8114.1147	  1109.7	   522.6	 -3530.0	   458.4
-   8119.3447	  1139.0	   522.6	 -3530.0	   458.4
-   8124.5781	   832.5	   522.6	 -3530.0	   458.4
-   8129.8145	  1187.0	   522.6	 -3530.0	   458.4
-   8135.0547	  1446.8	   522.6	 -3530.0	   458.4
-   8140.2983	  1324.6	   522.6	 -3530.0	   458.4
-   8145.5449	   987.5	   522.6	 -3530.0	   458.4
-   8150.7954	  1102.6	   522.6	 -3530.0	   458.4
-   8156.0488	  1158.3	   522.6	 -3530.0	   458.4
-   8161.3062	   825.5	   522.6	 -3530.0	   458.4
-   8166.5664	   899.2	   522.6	 -3530.0	   458.4
-   8171.8301	  1002.1	   522.6	 -3530.0	   458.4
-   8177.0972	  1050.4	   522.6	 -3530.0	   458.4
-   8182.3682	  1183.9	   522.6	 -3530.0	   458.4
-   8187.6421	  1067.3	   522.6	 -3530.0	   458.4
-   8192.9189	   864.6	   522.6	 -3530.0	   458.4
-   8198.2002	   945.1	   522.6	 -3530.0	   458.4
-   8203.4844	  1195.7	   522.6	 -3530.0	   458.4
-   8208.7715	  1146.4	   522.6	 -3530.0	   458.4
-   8214.0625	  1004.4	   522.6	 -3530.0	   458.4
-   8219.3574	  1257.2	   522.6	 -3530.0	   458.4
-   8224.6553	  1050.9	   522.6	 -3530.0	   458.4
-   8229.9561	   889.7	   522.6	 -3530.0	   458.4
-   8235.2607	   835.1	   522.6	 -3530.0	   458.4
-   8240.5693	   912.9	   522.6	 -3530.0	   458.4
-   8245.8809	   829.9	   522.6	 -3530.0	   458.4
-   8251.1953	   973.0	   522.6	 -3530.0	   458.4
-   8256.5137	   862.5	   522.6	 -3530.0	   458.4
-   8261.8359	  1050.7	   522.6	 -3530.0	   458.4
-   8267.1611	   882.1	   522.6	 -3530.0	   458.4
-   8272.4893	   928.1	   522.6	 -3530.0	   458.4
-   8277.8213	   844.2	   522.6	 -3530.0	   458.4
-   8283.1572	  1187.0	   522.6	 -3530.0	   458.4
-   8288.4961	   974.9	   522.6	 -3530.0	   458.4
-   8293.8389	   959.1	   522.6	 -3530.0	   458.4
-   8299.1846	  1169.5	   522.6	 -3530.0	   458.4
-   8304.5332	   847.6	   522.6	 -3530.0	   458.4
-   8309.8867	   901.4	   522.6	 -3530.0	   458.4
-   8315.2422	   984.5	   522.6	 -3530.0	   458.4
-   8320.6025	   875.8	   522.6	 -3530.0	   458.4
-   8325.9648	  1153.6	   522.6	 -3530.0	   458.4
-   8331.3320	  1138.9	   522.6	 -3530.0	   458.4
-   8336.7021	  1041.4	   522.6	 -3530.0	   458.4
-   8342.0752	  1173.8	   522.6	 -3530.0	   458.4
-   8347.4521	   980.5	   522.6	 -3530.0	   458.4
-   8352.8320	   958.2	   522.6	 -3530.0	   458.4
-   8358.2168	   834.9	   522.6	 -3530.0	   458.4
-   8363.6035	  1100.5	   522.6	 -3530.0	   458.4
-   8368.9941	  1378.5	   522.6	 -3530.0	   458.4
-   8374.3887	  1043.6	   522.6	 -3530.0	   458.4
-   8379.7861	  1085.2	   522.6	 -3530.0	   458.4
-   8385.1875	  1157.2	   522.6	 -3530.0	   458.4
-   8390.5928	  1134.6	   522.6	 -3530.0	   458.4
-   8396.0010	  1061.4	   522.6	 -3530.0	   458.4
-   8401.4121	   962.2	   522.6	 -3530.0	   458.4
-   8406.8271	   870.3	   522.6	 -3530.0	   458.4
-   8412.2461	  1124.1	   522.6	 -3530.0	   458.4
-   8417.6680	  1012.7	   522.6	 -3530.0	   458.4
-   8423.0938	   998.8	   522.6	 -3530.0	   458.4
-   8428.5234	  1080.8	   522.6	 -3530.0	   458.4
-   8433.9561	  1149.6	   522.6	 -3530.0	   458.4
-   8439.3916	   884.0	   522.6	 -3530.0	   458.4
-   8444.8311	  1078.9	   522.6	 -3530.0	   458.4
-   8450.2744	  1034.2	   522.6	 -3530.0	   458.4
-   8455.7217	  1004.8	   522.6	 -3530.0	   458.4
-   8461.1719	   751.1	   522.6	 -3530.0	   458.4
-   8466.6250	   887.2	   522.6	 -3530.0	   458.4
-   8472.0820	   819.6	   522.6	 -3530.0	   458.4
-   8477.5430	   972.4	   522.6	 -3530.0	   458.4
-   8483.0078	   769.3	   522.6	 -3530.0	   458.4
-   8488.4756	   903.9	   522.6	 -3530.0	   458.4
-   8493.9463	  1036.2	   522.6	 -3530.0	   458.4
-   8499.4209	   762.2	   522.6	 -3530.0	   458.4
-   8504.8994	   933.1	   522.6	 -3530.0	   458.4
-   8510.3818	   810.6	   522.6	 -3530.0	   458.4
-   8515.8672	   827.6	   522.6	 -3530.0	   458.4
-   8521.3555	   837.1	   522.6	 -3530.0	   458.4
-   8526.8486	   623.0	   522.6	 -3530.0	   458.4
-   8532.3447	   994.5	   522.6	 -3530.0	   458.4
-   8537.8438	   947.3	   522.6	 -3530.0	   458.4
-   8543.3467	  1246.5	   522.6	 -3530.0	   458.4
-   8548.8535	   989.6	   522.6	 -3530.0	   458.4
-   8554.3643	   963.5	   522.6	 -3530.0	   458.4
-   8559.8779	   766.4	   522.6	 -3530.0	   458.4
-   8565.3945	   785.7	   522.6	 -3530.0	   458.4
-   8570.9160	   964.1	   522.6	 -3530.0	   458.4
-   8576.4404	  1249.1	   522.6	 -3530.0	   458.4
-   8581.9678	  1109.9	   522.6	 -3530.0	   458.4
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-  12114.3291	   804.1	   919.3	 -3645.2	   475.2
-  12122.1367	   960.1	  1082.3	 -3652.1	   475.3
-  12129.9502	  1196.5	   810.5	 -3144.0	   475.5
-  12137.7686	   943.4	   683.0	 -3269.6	   475.6
-  12145.5918	   718.7	   648.2	 -3459.4	   475.7
-  12153.4209	   693.5	   744.4	 -3580.9	   475.9
-  12161.2539	   756.7	   850.3	 -3623.5	   476.0
-  12169.0928	   784.9	   694.8	 -3439.9	   476.1
-  12176.9365	   742.1	   617.4	 -3405.2	   476.3
-  12184.7852	   734.9	   579.1	 -3374.1	   476.4
-  12192.6387	   577.3	   560.9	 -3513.5	   476.5
-  12200.4980	   644.5	   552.9	 -3438.3	   476.7
-  12208.3613	   520.6	   548.0	 -3557.3	   476.8
-  12216.2305	   700.1	   548.7	 -3378.6	   476.9
-  12224.1045	   613.7	   561.3	 -3477.6	   477.1
-  12231.9834	   546.2	   616.8	 -3600.5	   477.2
-  12239.8682	   700.7	   738.9	 -3568.1	   477.3
-  12247.7568	   751.7	   644.5	 -3422.8	   477.5
-  12255.6514	   572.6	   594.1	 -3551.4	   477.6
-  12263.5508	   613.9	   570.5	 -3486.6	   477.8
-  12271.4551	   698.4	   565.1	 -3396.7	   477.9
-  12279.3652	   563.7	   582.1	 -3548.3	   478.0
-  12287.2803	   599.5	   565.1	 -3495.6	   478.2
-  12295.2002	   509.7	   555.0	 -3575.3	   478.3
-  12303.1250	   620.5	   553.0	 -3462.4	   478.4
-  12311.0547	   606.3	   564.2	 -3487.8	   478.6
-  12318.9902	   672.0	   615.9	 -3473.8	   478.7
-  12326.9297	   691.8	   598.6	 -3436.8	   478.8
-  12334.8750	   574.4	   575.5	 -3531.0	   479.0
-  12342.8262	   575.5	   575.6	 -3530.1	   479.1
-  12350.7812	   641.7	   623.5	 -3511.8	   479.3
-  12358.7422	   649.7	   839.4	 -3719.7	   479.4
-  12366.7080	   865.1	   889.3	 -3554.2	   479.5
-  12374.6797	   798.9	   723.4	 -3454.4	   479.7
-  12382.6553	   664.7	   645.1	 -3510.4	   479.8
-  12390.6367	   680.8	   632.3	 -3481.4	   479.9
-  12398.6230	   698.0	   735.3	 -3567.3	   480.1
-  12406.6152	   777.6	   894.6	 -3647.0	   480.2
-  12414.6113	   778.4	   726.5	 -3478.1	   480.4
-  12422.6133	   691.3	   639.3	 -3478.0	   480.5
-  12430.6201	   731.2	   596.8	 -3395.6	   480.6
-  12438.6328	   662.5	   584.6	 -3452.0	   480.8
-  12446.6504	   663.5	   606.9	 -3473.4	   480.9
-  12454.6729	   703.8	   582.3	 -3408.5	   481.0
-  12462.7002	   650.8	   571.0	 -3450.2	   481.2
-  12470.7334	   553.1	   584.4	 -3561.3	   481.3
-  12478.7715	   517.0	   668.6	 -3681.6	   481.5
-  12486.8145	   720.5	  1018.4	 -3827.9	   481.6
-  12494.8633	  1054.5	  1012.7	 -3488.1	   481.7
-  12502.9170	  1152.0	   791.9	 -3169.8	   481.9
-  12510.9756	   790.1	   682.9	 -3422.8	   482.0
-  12519.0391	   766.7	   651.2	 -3414.5	   482.2
-  12527.1084	   802.6	   735.8	 -3463.1	   482.3
-  12535.1826	   745.7	   889.5	 -3673.8	   482.4
-  12543.2627	   796.9	   730.1	 -3463.2	   482.6
-  12551.3477	   679.1	   650.7	 -3501.5	   482.7
-  12559.4375	   694.1	   631.6	 -3467.5	   482.8
-  12567.5322	   761.7	   712.4	 -3480.7	   483.0
-  12575.6328	   832.7	  1078.3	 -3775.5	   483.1
-  12583.7393	   909.1	   914.6	 -3535.5	   483.3
-  12591.8496	   844.3	   741.6	 -3427.2	   483.4
-  12599.9658	   715.4	   650.2	 -3464.8	   483.5
-  12608.0869	   567.4	   602.0	 -3564.6	   483.7
-  12616.2139	   619.8	   576.6	 -3486.8	   483.8
-  12624.3457	   645.7	   563.4	 -3447.7	   484.0
-  12632.4824	   713.2	   556.9	 -3373.7	   484.1
-  12640.6250	   657.4	   555.4	 -3427.9	   484.2
-  12648.7725	   563.7	   561.7	 -3528.0	   484.4
-  12656.9258	   563.0	   593.6	 -3560.5	   484.5
-  12665.0840	   637.0	   704.9	 -3597.9	   484.7
-  12673.2471	   701.3	   650.8	 -3479.5	   484.8
-  12681.4150	   745.6	   604.1	 -3388.5	   484.9
-  12689.5898	   599.1	   580.8	 -3511.7	   485.1
-  12697.7686	   640.7	   574.8	 -3464.1	   485.2
-  12705.9531	   585.5	   597.4	 -3541.9	   485.4
-  12714.1426	   604.0	   621.0	 -3547.0	   485.5
-  12722.3379	   697.2	   590.4	 -3423.2	   485.6
-  12730.5381	   477.5	   580.5	 -3632.9	   485.8
-  12738.7432	   590.5	   601.2	 -3540.6	   485.9
-  12746.9541	   671.6	   716.7	 -3575.0	   486.1
-  12755.1699	   803.9	  1161.9	 -3887.9	   486.2
-  12763.3916	  1056.6	  1009.7	 -3483.0	   486.4
-  12771.6182	   859.1	   800.1	 -3471.0	   486.5
-  12779.8506	   640.3	   689.6	 -3579.3	   486.6
-  12788.0879	   602.3	   641.7	 -3569.4	   486.8
-  12796.3301	   488.0	   663.1	 -3705.0	   486.9
-  12804.5781	   682.1	   744.6	 -3592.5	   487.1
-  12812.8311	   776.3	   659.0	 -3412.6	   487.2
-  12821.0898	   666.4	   613.3	 -3476.9	   487.3
-  12829.3535	   639.1	   598.1	 -3488.9	   487.5
-  12837.6230	   653.5	   628.7	 -3505.1	   487.6
-  12845.8975	   701.1	   799.8	 -3628.7	   487.8
-  12854.1777	   875.7	   844.1	 -3498.4	   487.9
-  12862.4629	   801.1	   712.8	 -3441.6	   488.1
-  12870.7529	   627.7	   643.1	 -3545.4	   488.2
-  12879.0488	   561.2	   613.7	 -3582.5	   488.3
-  12887.3506	   589.5	   632.3	 -3572.8	   488.5
-  12895.6572	   779.7	   763.7	 -3513.9	   488.6
-  12903.9688	   794.1	   700.7	 -3436.6	   488.8
-  12912.2861	   634.6	   636.1	 -3531.5	   488.9
-  12920.6094	   584.2	   605.7	 -3551.5	   489.1
-  12928.9375	   575.5	   609.3	 -3563.7	   489.2
-  12937.2705	   482.0	   692.6	 -3740.6	   489.3
-  12945.6094	   679.2	   898.2	 -3749.0	   489.5
-  12953.9531	   685.8	   751.7	 -3595.9	   489.6
-  12962.3027	   569.7	   663.6	 -3623.8	   489.8
-  12970.6582	   553.7	   614.9	 -3591.2	   489.9
-  12979.0186	   530.7	   588.3	 -3587.5	   490.1
-  12987.3838	   566.1	   574.8	 -3538.6	   490.2
-  12995.7549	   489.3	   568.3	 -3609.0	   490.3
-  13004.1318	   518.1	   564.1	 -3576.0	   490.5
-  13012.5137	   587.8	   567.2	 -3509.4	   490.6
-  13020.9004	   584.1	   590.3	 -3536.1	   490.8
-  13029.2930	   545.0	   688.7	 -3673.7	   490.9
-  13037.6914	   765.4	  1084.1	 -3848.7	   491.1
-  13046.0947	  1166.0	  1220.5	 -3584.4	   491.2
-  13054.5039	  1233.6	   928.8	 -3225.1	   491.4
-  13062.9180	   854.5	   767.1	 -3442.6	   491.5
-  13071.3379	   647.0	   683.9	 -3566.9	   491.6
-  13079.7627	   619.4	   666.7	 -3577.3	   491.8
-  13088.1934	   573.5	   771.4	 -3727.9	   491.9
-  13096.6299	   759.7	   751.4	 -3521.7	   492.1
-  13105.0713	   692.1	   666.7	 -3504.6	   492.2
-  13113.5186	   657.0	   620.4	 -3493.4	   492.4
-  13121.9707	   558.3	   599.9	 -3571.6	   492.5
-  13130.4287	   582.1	   610.3	 -3558.1	   492.7
-  13138.8916	   646.1	   698.2	 -3582.1	   492.8
-  13147.3604	   650.3	   672.6	 -3552.3	   493.0
-  13155.8350	   594.6	   623.8	 -3559.2	   493.1
-  13164.3145	   576.9	   599.5	 -3552.6	   493.2
-  13172.7998	   533.2	   599.2	 -3595.9	   493.4
-  13181.2900	   578.7	   652.3	 -3603.5	   493.5
-  13189.7861	   728.9	   875.7	 -3676.8	   493.7
-  13198.2871	   822.8	   805.5	 -3512.6	   493.8
-  13206.7949	   715.7	   699.7	 -3514.0	   494.0
-  13215.3066	   683.3	   641.4	 -3488.1	   494.1
-  13223.8252	   514.5	   615.6	 -3631.1	   494.3
-  13232.3486	   535.9	   630.4	 -3624.5	   494.4
-  13240.8779	   595.4	   745.5	 -3680.1	   494.6
-  13249.4121	   571.1	   702.3	 -3661.2	   494.7
-  13257.9521	   599.2	   641.5	 -3572.3	   494.9
-  13266.4971	   522.8	   607.8	 -3615.0	   495.0
-  13275.0488	   473.1	   592.7	 -3649.6	   495.2
-  13283.6045	   541.6	   600.9	 -3589.2	   495.3
-  13292.1670	   547.1	   667.9	 -3650.8	   495.4
-  13300.7344	   653.6	   648.9	 -3525.3	   495.6
-  13309.3076	   635.5	   612.2	 -3506.6	   495.7
-  13317.8857	   612.0	   511.5	 -3429.5	   413.4
-  13326.4697	   514.9	   512.4	 -3527.4	   413.8
-  13335.0596	   608.2	   557.6	 -3479.3	   414.2
-  13343.6553	   676.8	   756.9	 -3610.0	   414.6
-  13352.2559	   749.2	   751.1	 -3531.8	   415.0
-  13360.8623	   806.0	   637.1	 -3361.0	   415.4
-  13369.4736	   643.2	   571.2	 -3457.9	   415.8
-  13378.0908	   610.5	   533.2	 -3452.6	   416.2
-  13386.7139	   561.3	   511.3	 -3480.0	   416.5
-  13395.3428	   551.3	   498.9	 -3477.6	   416.9
-  13403.9766	   558.0	   492.0	 -3464.0	   417.3
-  13412.6162	   635.3	   488.9	 -3383.6	   417.7
-  13421.2617	   506.6	   490.1	 -3513.4	   418.1
-  13429.9121	   490.8	   502.1	 -3541.3	   418.5
-  13438.5684	   602.9	   553.9	 -3481.0	   418.9
-  13447.2305	   648.2	   762.4	 -3644.2	   419.3
-  13455.8975	   953.2	   994.2	 -3571.0	   419.6
-  13464.5703	  1034.4	   784.8	 -3280.3	   420.0
-  13473.2490	   683.7	   662.7	 -3509.0	   420.4
-  13481.9336	   514.8	   597.7	 -3612.8	   420.8
-  13490.6240	   589.7	   584.8	 -3525.1	   421.2
-  13499.3193	   550.3	   677.4	 -3657.1	   421.6
-  13508.0205	   703.8	   940.7	 -3766.8	   422.0
-  13516.7266	   896.4	   767.0	 -3400.6	   422.4
-  13525.4385	   734.8	   653.3	 -3448.4	   422.8
-  13534.1572	   645.5	   590.4	 -3474.8	   423.2
-  13542.8799	   543.3	   568.9	 -3555.6	   423.5
-  13551.6094	   573.4	   617.8	 -3574.3	   423.9
-  13560.3438	   699.2	   866.7	 -3697.4	   424.3
-  13569.0850	   829.4	   788.1	 -3488.7	   424.7
-  13577.8311	   726.8	   666.7	 -3469.9	   425.1
-  13586.5820	   690.9	   595.6	 -3434.7	   425.5
-  13595.3398	   603.0	   556.6	 -3483.6	   425.9
-  13604.1025	   516.7	   545.1	 -3558.4	   426.3
-  13612.8711	   611.1	   584.1	 -3503.0	   426.7
-  13621.6455	   671.9	   607.3	 -3465.4	   427.1
-  13630.4248	   686.9	   561.1	 -3404.2	   427.5
-  13639.2109	   585.9	   534.9	 -3479.0	   427.9
-  13648.0020	   567.1	   523.9	 -3486.7	   428.3
-  13656.7988	   530.5	   535.3	 -3534.8	   428.7
-  13665.6016	   551.7	   613.2	 -3591.5	   429.1
-  13674.4102	   658.8	   818.2	 -3689.3	   429.5
-  13683.2236	   856.0	   699.8	 -3373.8	   429.8
-  13692.0430	   647.3	   617.6	 -3500.2	   430.2
-  13700.8682	   621.1	   568.5	 -3477.3	   430.6
-  13709.6992	   478.4	   539.3	 -3590.9	   431.0
-  13718.5361	   589.3	   522.0	 -3462.6	   431.4
-  13727.3779	   605.5	   511.8	 -3436.3	   431.8
-  13736.2266	   526.4	   506.0	 -3509.5	   432.2
-  13745.0801	   502.3	   502.9	 -3530.5	   432.6
-  13753.9395	   580.3	   502.4	 -3452.1	   433.0
-  13762.8047	   534.5	   507.0	 -3502.5	   433.4
-  13771.6758	   471.9	   528.6	 -3586.6	   433.8
-  13780.5527	   517.3	   616.0	 -3628.6	   434.2
-  13789.4346	   780.1	   808.3	 -3558.1	   434.6
-  13798.3223	   802.4	   693.7	 -3421.2	   435.0
-  13807.2168	   604.8	   617.5	 -3542.7	   435.4
-  13816.1162	   594.5	   572.5	 -3508.0	   435.8
-  13825.0215	   567.1	   548.8	 -3511.6	   436.2
-  13833.9326	   492.7	   548.2	 -3585.5	   436.6
-  13842.8486	   559.9	   601.7	 -3571.8	   437.0
-  13851.7715	   635.3	   612.8	 -3507.5	   437.4
-  13860.6992	   591.8	   570.1	 -3508.3	   437.8
-  13869.6338	   538.8	   545.8	 -3537.0	   438.2
-  13878.5732	   543.2	   537.1	 -3523.8	   438.6
-  13887.5186	   490.8	   555.5	 -3594.6	   439.0
-  13896.4697	   543.5	   660.5	 -3646.9	   439.4
-  13905.4268	   789.7	   995.2	 -3735.4	   439.8
-  13914.3896	  1018.8	   846.3	 -3357.5	   440.2
-  13923.3584	   865.9	   713.9	 -3377.9	   440.6
-  13932.3330	   627.4	   633.1	 -3535.6	   441.0
-  13941.3135	   579.0	   584.0	 -3535.0	   441.4
-  13950.2988	   551.6	   555.1	 -3533.4	   441.8
-  13959.2910	   497.9	   541.0	 -3573.1	   442.2
-  13968.2881	   512.8	   535.6	 -3552.7	   442.6
-  13977.2920	   501.1	   525.5	 -3554.4	   443.0
-  13986.3008	   570.7	   521.0	 -3480.3	   443.4
-  13995.3154	   550.0	   525.0	 -3504.9	   443.9
-  14004.3359	   534.0	   553.8	 -3549.7	   444.3
-  14013.3633	   640.9	   675.5	 -3564.5	   444.7
-  14022.3955	   853.2	  1159.0	 -3835.8	   445.1
-  14031.4336	  1277.0	  1298.0	 -3550.9	   445.5
-  14040.4775	  1275.8	   997.6	 -3251.7	   445.9
-  14049.5273	   853.8	   812.8	 -3488.9	   446.3
-  14058.5830	   706.4	   702.2	 -3525.7	   446.7
-  14067.6445	   617.2	   647.6	 -3560.4	   447.1
-  14076.7119	   576.3	   668.4	 -3622.0	   447.5
-  14085.7852	   717.3	   877.0	 -3689.6	   447.9
-  14094.8643	   941.1	   815.8	 -3404.7	   448.3
-  14103.9492	   805.1	   701.3	 -3426.2	   448.7
-  14113.0400	   624.1	   630.8	 -3536.6	   449.1
-  14122.1367	   592.6	   588.8	 -3526.2	   449.5
-  14131.2393	   519.1	   569.4	 -3580.3	   450.0
-  14140.3477	   537.0	   583.5	 -3576.5	   450.4
-  14149.4619	   741.8	   669.4	 -3457.6	   450.8
-  14158.5820	   716.4	   625.3	 -3438.9	   451.2
-  14167.7080	   643.2	   584.4	 -3471.1	   451.6
-  14176.8398	   590.7	   559.0	 -3498.3	   452.0
-  14185.9775	   506.5	   543.4	 -3566.8	   452.4
-  14195.1211	   518.9	   534.0	 -3545.1	   452.8
-  14204.2705	   548.1	   529.1	 -3510.9	   453.2
-  14213.4258	   515.2	   528.2	 -3542.9	   453.6
-  14222.5869	   464.3	   525.2	 -3590.9	   454.1
-  14231.7549	   543.3	   524.1	 -3510.7	   454.5
-  14240.9277	   561.7	   526.7	 -3495.0	   454.9
-  14250.1064	   558.1	   541.0	 -3512.9	   455.3
-  14259.2920	   599.8	   600.0	 -3530.2	   455.7
-  14268.4824	   665.1	   835.1	 -3700.0	   456.1
-  14277.6797	  1105.2	  1420.3	 -3845.1	   456.5
-  14286.8818	  1404.4	  1124.5	 -3250.1	   456.9
-  14296.0908	  1047.9	   902.1	 -3384.2	   457.4
-  14305.3057	   743.7	   762.0	 -3548.2	   457.8
-  14314.5264	   719.0	   673.7	 -3484.7	   458.2
-  14323.7520	   611.0	   618.1	 -3537.1	   458.6
-  14332.9844	   545.6	   583.3	 -3567.6	   459.0
-  14342.2236	   587.7	   561.5	 -3503.8	   459.4
-  14351.4678	   545.2	   548.1	 -3532.8	   459.8
-  14360.7178	   520.9	   540.2	 -3549.3	   460.3
-  14369.9746	   542.8	   537.2	 -3524.3	   460.7
-  14379.2363	   566.1	   542.7	 -3506.6	   461.1
-  14388.5049	   521.2	   575.0	 -3583.8	   461.5
-  14397.7783	   682.7	   709.1	 -3556.4	   461.9
-  14407.0586	   886.9	  1125.0	 -3768.1	   462.3
-  14416.3447	  1135.5	   966.1	 -3360.6	   462.7
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-  14444.2393	   593.6	   645.6	 -3582.0	   464.0
-  14453.5498	   597.1	   616.1	 -3548.9	   464.4
-  14462.8652	   641.8	   635.4	 -3523.5	   464.8
-  14472.1875	   777.3	   782.5	 -3535.1	   465.3
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-  14593.9229	   553.2	   596.2	 -3573.0	   470.7
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-  14688.2627	   687.2	   642.1	 -3484.9	   475.0
-  14697.7295	   614.3	   606.5	 -3522.2	   475.4
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-  14926.7871	   611.4	   626.5	 -3545.0	   484.5
-  14936.4082	   603.4	   603.7	 -3530.3	   484.4
-  14946.0352	   640.9	   600.1	 -3489.1	   484.3
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-  14965.3086	   725.2	   835.8	 -3640.5	   484.1
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-  15306.6426	   954.4	   978.5	 -3554.1	   480.1
-  15316.5088	   755.0	   839.3	 -3614.2	   480.0
-  15326.3809	   654.9	   750.7	 -3625.7	   479.9
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-  15555.2090	   575.3	   545.6	 -3500.3	   477.2
-  15565.2354	   522.6	   551.6	 -3559.0	   477.1
-  15575.2686	   517.1	   577.4	 -3590.3	   477.0
-  15585.3076	   688.5	   680.9	 -3522.3	   476.9
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-  15665.8535	   577.9	   635.2	 -3587.3	   476.0
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-  15696.1650	   870.4	   746.9	 -3406.5	   475.6
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-  15951.0576	  1319.8	  1194.4	 -3404.6	   472.7
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-  16095.6006	   618.5	   570.2	 -3481.7	   471.0
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-  16483.9434	   571.7	   579.3	 -3537.5	   465.7
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-  16622.6016	  1704.2	  1328.5	 -3154.2	   460.2
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-  16644.0371	   799.1	   943.0	 -3673.8	   459.4
-  16654.7656	   690.7	   826.2	 -3665.4	   459.0
-  16665.5000	   645.9	   742.4	 -3626.5	   458.6
-  16676.2422	   627.6	   684.2	 -3586.6	   458.1
-  16686.9902	   593.6	   652.0	 -3588.3	   457.7
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-  16708.5098	   812.8	   828.9	 -3546.0	   456.9
-  16719.2793	  1140.0	  1018.1	 -3408.0	   456.5
-  16730.0547	  1108.1	   883.1	 -3305.0	   456.0
-  16740.8379	   775.5	   782.9	 -3537.4	   455.6
-  16751.6289	   648.2	   710.1	 -3591.9	   455.2
-  16762.4258	   689.0	   657.4	 -3498.3	   454.8
-  16773.2305	   607.4	   619.6	 -3542.1	   454.3
-  16784.0410	   608.8	   594.3	 -3515.4	   453.9
-  16794.8594	   584.1	   584.4	 -3530.2	   453.5
-  16805.6855	   616.7	   610.7	 -3524.0	   453.1
-  16816.5176	   749.1	   749.6	 -3530.5	   452.6
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-  16849.0566	   626.4	   643.0	 -3546.6	   451.4
-  16859.9160	   596.2	   608.1	 -3541.9	   450.9
-  16870.7832	   558.9	   583.2	 -3554.3	   450.5
-  16881.6562	   555.0	   567.5	 -3542.4	   450.1
-  16892.5391	   514.9	   565.6	 -3580.7	   449.7
-  16903.4258	   555.2	   602.2	 -3577.0	   449.2
-  16914.3223	   782.2	   777.5	 -3525.3	   448.8
-  16925.2246	  1380.3	  1309.0	 -3458.7	   448.4
-  16936.1328	  1582.2	  1185.9	 -3133.6	   448.0
-  16947.0488	  1096.3	  1004.4	 -3438.1	   447.5
-  16957.9727	   769.6	   871.5	 -3631.9	   447.1
-  16968.9023	   635.0	   774.2	 -3669.2	   446.7
-  16979.8398	   580.3	   702.9	 -3652.5	   446.2
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-  17001.7363	   582.4	   612.3	 -3559.9	   445.4
-  17012.6953	   506.9	   584.2	 -3607.3	   445.0
-  17023.6602	   541.6	   563.5	 -3551.9	   444.5
-  17034.6328	   555.4	   548.3	 -3522.9	   444.1
-  17045.6133	   512.9	   537.1	 -3554.2	   443.7
-  17056.5996	   537.8	   528.8	 -3520.9	   443.2
-  17067.5938	   487.1	   522.6	 -3565.5	   442.8
-  17078.5938	   517.5	   518.1	 -3530.5	   442.4
-  17089.6035	   535.8	   514.9	 -3509.0	   441.9
-  17100.6172	   508.1	   513.4	 -3535.3	   441.5
-  17111.6406	   537.2	   516.2	 -3508.9	   441.1
-  17122.6699	   568.5	   533.5	 -3495.0	   440.6
-  17133.7070	   622.2	   606.2	 -3514.0	   440.2
-  17144.7500	   786.1	   794.7	 -3538.6	   439.8
-  17155.8008	   821.1	   738.7	 -3447.6	   439.4
-  17166.8574	   709.9	   676.5	 -3496.5	   438.9
-  17177.9238	   577.4	   630.5	 -3583.1	   438.5
-  17188.9961	   536.4	   596.5	 -3590.1	   438.1
-  17200.0742	   537.8	   571.5	 -3563.7	   437.6
-  17211.1602	   490.6	   553.8	 -3593.2	   437.2
-  17222.2539	   473.0	   543.6	 -3600.5	   436.7
-  17233.3555	   490.1	   547.7	 -3587.5	   436.3
-  17244.4629	   571.7	   596.3	 -3554.5	   435.9
-  17255.5781	   740.6	   768.3	 -3557.7	   435.4
-  17266.7012	   792.8	   740.2	 -3477.4	   435.0
-  17277.8301	   659.9	   677.1	 -3547.2	   434.6
-  17288.9668	   521.7	   630.4	 -3638.6	   434.1
-  17300.1094	   527.8	   595.8	 -3598.0	   433.7
-  17311.2598	   538.2	   570.7	 -3562.4	   433.3
-  17322.4180	   527.8	   554.5	 -3556.7	   432.8
-  17333.5840	   491.6	   552.1	 -3590.4	   432.4
-  17344.7559	   523.0	   587.7	 -3594.7	   431.9
-  17355.9355	   760.8	   760.5	 -3529.7	   431.5
-  17367.1230	  1513.3	  1436.1	 -3452.7	   430.9
-  17378.3164	  2310.0	  1694.4	 -2914.3	   430.4
-  17389.5176	  1771.9	  1386.3	 -3144.3	   429.9
-  17400.7266	  1032.1	  1156.5	 -3654.4	   429.3
-  17411.9434	   783.6	   985.5	 -3731.9	   428.8
-  17423.1660	   671.8	   858.3	 -3716.4	   428.2
-  17434.3965	   632.4	   763.7	 -3661.3	   427.7
-  17445.6328	   607.5	   693.5	 -3615.9	   427.1
-  17456.8770	   605.1	   642.3	 -3567.2	   426.6
-  17468.1289	   616.2	   608.4	 -3522.2	   426.1
-  17479.3887	   609.7	   599.3	 -3519.6	   425.5
-  17490.6543	   661.5	   616.3	 -3484.8	   425.0
-  17501.9297	   680.2	   585.2	 -3435.0	   424.4
-  17513.2090	   610.3	   559.9	 -3479.6	   423.9
-  17524.4980	   553.5	   541.0	 -3517.5	   423.3
-  17535.7930	   539.7	   526.8	 -3517.1	   422.8
-  17547.0957	   498.4	   516.4	 -3547.9	   422.2
-  17558.4062	   530.2	   509.2	 -3509.0	   421.7
-  17569.7246	   524.0	   506.8	 -3512.8	   421.2
-  17581.0488	   515.1	   516.9	 -3531.8	   420.6
-  17592.3809	   574.3	   570.7	 -3526.4	   420.1
-  17603.7188	   810.4	   783.4	 -3502.9	   419.5
-  17615.0664	  1050.6	   860.4	 -3339.7	   419.0
-  17626.4199	   901.6	   765.3	 -3393.7	   418.4
-  17637.7812	   647.8	   693.8	 -3575.9	   417.9
-  17649.1504	   561.6	   640.1	 -3608.5	   417.3
-  17660.5254	   548.7	   600.1	 -3581.4	   416.8
-  17671.9082	   520.4	   571.3	 -3580.9	   416.2
-  17683.2988	   513.9	   554.3	 -3570.4	   415.7
-  17694.6973	   513.1	   560.1	 -3576.9	   415.1
-  17706.1016	   589.8	   636.8	 -3576.9	   414.6
-  17717.5156	  1020.9	   976.4	 -3485.5	   414.0
-  17728.9355	  2183.5	  2044.8	 -3391.2	   413.5
-  17740.3613	  2566.0	  1900.7	 -2864.7	   412.9
-  17751.7969	  1679.6	  1546.9	 -3397.3	   412.4
-  17763.2383	  1080.2	  1280.6	 -3730.4	   411.8
-  17774.6875	   863.3	  1080.1	 -3746.8	   411.3
-  17786.1445	   755.8	   929.3	 -3703.5	   410.7
-  17797.6094	   701.2	   815.9	 -3644.7	   410.1
-  17809.0801	   669.0	   731.1	 -3592.1	   409.6
-  17820.5586	   677.1	   669.3	 -3522.2	   409.0
-  17832.0449	   646.3	   631.0	 -3514.6	   408.5
-  17843.5391	   669.0	   633.9	 -3494.8	   407.9
-  17855.0410	   803.2	   706.1	 -3432.8	   407.4
-  17866.5488	   843.9	   659.3	 -3345.3	   406.8
-  17878.0645	   703.5	   612.3	 -3438.8	   406.3
-  17889.5879	   591.7	   576.7	 -3515.0	   405.7
-  17901.1191	   578.2	   549.8	 -3501.6	   405.1
-  17912.6582	   596.2	   529.4	 -3463.1	   404.6
-  17924.2031	   661.3	   514.2	 -3382.8	   404.0
-  17935.7559	   793.8	   503.3	 -3239.5	   403.5
-  17947.3164	   766.0	   497.8	 -3261.8	   402.9
-  17958.8848	   616.0	   505.0	 -3418.9	   402.4
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-  17982.0430	   832.7	   691.5	 -3388.8	   401.2
-  17993.6328	   860.0	   654.1	 -3324.0	   400.7
-  18005.2324	   686.9	   607.6	 -3450.6	   400.1
-  18016.8379	   598.9	   572.3	 -3503.3	   399.6
-  18028.4492	   523.0	   545.4	 -3552.3	   399.0
-  18040.0703	   536.4	   524.9	 -3518.5	   398.4
-  18051.6973	   527.3	   509.5	 -3512.1	   397.9
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-  18121.6230	  1036.5	   766.3	 -3259.8	   394.5
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-  18144.9902	   646.4	   635.4	 -3518.9	   393.4
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-  18168.3887	   562.2	   559.2	 -3526.9	   392.2
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-  18215.2773	   532.5	   500.8	 -3498.3	   390.0
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-  20310.8516	  1197.7	  1140.3	 -3472.5	   382.2
-  20323.9414	   887.3	   998.7	 -3641.3	   381.6
-  20337.0410	   752.7	   885.7	 -3662.9	   381.0
-  20350.1504	   669.0	   795.5	 -3656.5	   380.4
-  20363.2676	   642.6	   723.5	 -3610.9	   379.8
-  20376.3926	   612.6	   666.0	 -3583.4	   379.2
-  20389.5254	   579.8	   620.2	 -3570.3	   378.5
-  20402.6680	   584.8	   583.9	 -3529.0	   377.9
-  20415.8184	   573.4	   556.2	 -3512.8	   377.3
-  20428.9785	   535.9	   539.3	 -3533.3	   376.7
-  20442.1465	   556.8	   545.7	 -3518.9	   376.1
-  20455.3223	   603.0	   627.5	 -3554.4	   375.5
-  20468.5059	   978.0	   973.6	 -3525.6	   374.9
-  20481.6992	  1302.5	  1208.4	 -3435.9	   374.3
-  20494.9004	  1114.3	  1056.0	 -3471.6	   373.7
-  20508.1113	   831.7	   931.2	 -3629.5	   373.0
-  20521.3301	   714.6	   831.2	 -3646.6	   372.4
-  20534.5566	   654.5	   751.2	 -3626.7	   371.8
-  20547.7930	   625.3	   687.2	 -3591.9	   371.2
-  20561.0371	   621.0	   635.9	 -3544.9	   370.6
-  20574.2891	   604.9	   594.8	 -3519.8	   370.0
-  20587.5508	   550.3	   562.0	 -3541.7	   369.3
-  20600.8203	   532.0	   536.4	 -3534.4	   368.7
-  20614.0977	   513.9	   518.4	 -3534.5	   368.1
-  20627.3848	   504.6	   513.5	 -3538.9	   367.5
-  20640.6816	   544.6	   546.7	 -3532.0	   366.9
-  20653.9844	   790.0	   715.0	 -3455.0	   366.3
-  20667.2969	  1248.6	  1160.1	 -3441.4	   365.6
-  20680.6191	  1285.6	  1093.8	 -3338.2	   365.0
-  20693.9492	   942.7	   961.3	 -3548.5	   364.4
-  20707.2871	   760.8	   854.9	 -3624.0	   363.8
-  20720.6348	   665.3	   769.4	 -3634.1	   363.2
-  20733.9902	   633.3	   700.8	 -3597.4	   362.5
-  20747.3535	   602.0	   645.6	 -3573.5	   361.9
-  20760.7266	   577.2	   601.3	 -3554.0	   361.3
-  20774.1074	   568.8	   565.7	 -3526.9	   360.7
-  20787.4980	   530.8	   537.2	 -3536.3	   360.1
-  20800.8965	   544.3	   514.7	 -3500.4	   359.4
-  20814.3047	   523.6	   498.5	 -3504.9	   358.8
-  20827.7207	   515.2	   492.6	 -3507.3	   358.2
-  20841.1445	   548.7	   515.2	 -3496.5	   357.6
-  20854.5781	   648.7	   638.0	 -3519.2	   356.9
-  20868.0195	   856.6	   856.0	 -3529.3	   356.3
-  20881.4707	   806.0	   785.1	 -3509.1	   355.7
-  20894.9297	   651.4	   712.7	 -3591.3	   355.1
-  20908.3984	   585.8	   654.5	 -3598.6	   354.4
-  20921.8750	   559.0	   607.5	 -3578.4	   353.8
-  20935.3594	   515.8	   569.6	 -3583.8	   353.2
-  20948.8535	   510.9	   539.0	 -3558.1	   352.6
-  20962.3555	   511.5	   514.3	 -3532.8	   351.9
-  20975.8672	   504.3	   494.4	 -3520.0	   351.3
-  20989.3867	   470.5	   478.4	 -3537.9	   350.7
-  21002.9160	   467.7	   465.9	 -3528.2	   350.1
-  21016.4531	   479.4	   457.8	 -3508.3	   349.4
-  21030.0000	   484.5	   458.5	 -3503.9	   348.8
-  21043.5547	   503.7	   487.1	 -3513.4	   348.2
-  21057.1191	   691.2	   617.6	 -3456.4	   347.5
-  21070.6914	   976.0	   885.0	 -3439.0	   346.9
-  21084.2734	   943.7	   819.6	 -3405.9	   346.3
-  21097.8633	   743.1	   739.6	 -3526.5	   345.6
-  21111.4609	   642.7	   675.0	 -3562.2	   345.0
-  21125.0684	   588.0	   622.8	 -3564.7	   344.4
-  21138.6855	   558.2	   580.5	 -3552.3	   343.7
-  21152.3105	   530.1	   546.3	 -3546.2	   343.1
-  21165.9434	   513.0	   518.7	 -3535.7	   342.5
-  21179.5859	   498.2	   496.2	 -3528.0	   341.8
-  21193.2383	   499.6	   478.1	 -3508.5	   341.2
-  21206.8984	   481.5	   463.4	 -3511.9	   340.6
-  21220.5664	   459.7	   451.8	 -3522.0	   339.9
-  21234.2441	   466.3	   443.6	 -3507.2	   339.3
-  21247.9316	   474.6	   441.6	 -3497.0	   338.7
-  21261.6270	   491.0	   458.3	 -3497.2	   338.0
-  21275.3320	   571.7	   528.5	 -3486.7	   337.4
-  21289.0449	   653.9	   537.5	 -3413.6	   336.8
-  21302.7656	   577.6	   510.7	 -3463.0	   336.1
-  21316.4980	   524.7	   488.8	 -3494.1	   335.5
-  21330.2363	   502.2	   471.1	 -3498.8	   334.8
-  21343.9844	   467.5	   456.6	 -3519.0	   334.2
-  21357.7422	   469.8	   444.7	 -3504.9	   333.6
-  21371.5098	   442.3	   435.4	 -3523.1	   333.3
-  21385.2832	   449.4	   429.4	 -3509.9	   334.5
-  21399.0684	   447.6	   424.8	 -3507.1	   335.8
-  21412.8613	   458.8	   421.4	 -3492.6	   337.0
-  21426.6621	   441.7	   419.5	 -3507.8	   338.3
-  21440.4727	   430.2	   420.4	 -3520.1	   339.5
-  21454.2930	   442.4	   429.3	 -3516.9	   340.8
-  21468.1211	   484.7	   467.3	 -3512.6	   342.0
-  21481.9590	   648.4	   614.5	 -3496.1	   343.3
-  21495.8047	   959.1	   941.4	 -3512.2	   344.5
-  21509.6602	   961.4	   886.5	 -3455.0	   345.7
-  21523.5234	   747.0	   797.4	 -3580.4	   347.0
-  21537.3965	   622.1	   725.4	 -3633.3	   348.2
-  21551.2793	   572.1	   667.3	 -3625.2	   349.5
-  21565.1699	   564.2	   620.4	 -3586.2	   350.7
-  21579.0703	   548.0	   582.7	 -3564.6	   352.0
-  21592.9785	   539.6	   552.3	 -3542.7	   353.3
-  21606.8965	   498.5	   527.9	 -3559.3	   354.5
-  21620.8242	   486.7	   508.4	 -3551.7	   355.8
-  21634.7598	   489.5	   492.9	 -3533.4	   357.0
-  21648.7051	   479.8	   480.8	 -3531.0	   358.3
-  21662.6582	   483.2	   472.1	 -3518.9	   359.5
-  21676.6211	   478.4	   468.5	 -3520.1	   360.8
-  21690.5938	   465.6	   478.0	 -3542.3	   362.0
-  21704.5742	   521.1	   532.1	 -3540.9	   363.3
-  21718.5625	   668.4	   660.2	 -3521.7	   364.6
-  21732.5625	   655.9	   637.1	 -3511.1	   365.8
-  21746.5703	   551.0	   599.5	 -3578.5	   367.1
-  21760.5859	   526.4	   569.2	 -3572.7	   368.3
-  21774.6133	   510.5	   544.8	 -3564.3	   369.6
-  21788.6484	   495.5	   525.2	 -3559.6	   370.9
-  21802.6914	   466.6	   509.5	 -3572.9	   372.1
-  21816.7441	   473.7	   497.0	 -3553.3	   373.4
-  21830.8066	   494.4	   487.2	 -3522.8	   374.7
-  21844.8770	   488.4	   479.6	 -3521.2	   375.9
-  21858.9590	   469.2	   474.4	 -3535.2	   377.2
-  21873.0469	   463.1	   473.3	 -3540.1	   378.5
-  21887.1465	   455.8	   483.0	 -3557.2	   379.7
-  21901.2539	   466.8	   530.8	 -3594.0	   381.0
-  21915.3691	   667.2	   720.5	 -3583.3	   382.3
-  21929.4961	  1519.9	  1446.7	 -3456.8	   383.6
-  21943.6309	  4036.5	  3848.2	 -3341.7	   384.8
-  21957.7734	  5437.9	  4478.2	 -2570.2	   386.1
-  21971.9277	  3851.3	  3737.2	 -3415.8	   387.4
-  21986.0898	  2565.7	  3129.4	 -4093.7	   388.7
-  22000.2598	  2017.7	  2634.3	 -4146.6	   389.9
-  22014.4414	  1780.8	  2231.0	 -3980.2	   391.2
-  22028.6309	  1582.9	  1902.6	 -3849.7	   392.5
-  22042.8281	  1431.8	  1635.2	 -3733.4	   393.8
-  22057.0371	  1346.4	  1417.7	 -3601.2	   395.0
-  22071.2539	  1224.3	  1240.7	 -3546.3	   396.3
-  22085.4805	  1147.2	  1096.8	 -3479.5	   397.6
-  22099.7148	  1046.0	   979.8	 -3463.8	   398.9
-  22113.9590	   972.4	   884.8	 -3442.3	   400.2
-  22128.2129	   893.6	   807.7	 -3444.1	   401.5
-  22142.4766	   863.5	   745.2	 -3411.6	   402.7
-  22156.7480	   823.9	   694.5	 -3400.6	   404.0
-  22171.0293	   760.5	   653.5	 -3423.0	   405.3
-  22185.3203	   769.1	   619.7	 -3380.6	   405.9
-  22199.6191	   717.9	   591.9	 -3404.0	   406.1
-  22213.9277	   706.7	   569.4	 -3392.6	   406.3
-  22228.2461	   684.5	   551.0	 -3396.5	   406.4
-  22242.5742	   635.3	   536.2	 -3430.8	   406.6
-  22256.9102	   592.9	   524.1	 -3461.1	   406.8
-  22271.2559	   573.0	   514.4	 -3471.3	   407.0
-  22285.6113	   560.8	   506.4	 -3475.6	   407.2
-  22299.9746	   540.5	   500.1	 -3489.5	   407.4
-  22314.3496	   531.9	   494.9	 -3493.0	   407.6
-  22328.7324	   519.3	   490.9	 -3501.5	   407.8
-  22343.1230	   507.5	   487.8	 -3510.3	   407.9
-  22357.5254	   487.9	   486.3	 -3528.3	   408.1
-  22371.9355	   481.1	   488.5	 -3537.4	   408.3
-  22386.3555	   494.9	   503.4	 -3538.4	   408.5
-  22400.7852	   527.5	   564.7	 -3567.1	   408.7
-  22415.2227	   820.4	   800.7	 -3510.3	   408.9
-  22429.6719	  1404.1	  1414.6	 -3540.4	   409.1
-  22444.1289	  1494.6	  1387.8	 -3423.1	   409.3
-  22458.5957	  1150.8	  1222.3	 -3601.4	   409.4
-  22473.0703	   914.0	  1086.6	 -3702.6	   409.6
-  22487.5566	   816.4	   975.6	 -3689.1	   409.8
-  22502.0508	   722.8	   884.7	 -3691.8	   410.0
-  22516.5547	   684.6	   810.3	 -3655.6	   410.2
-  22531.0684	   677.7	   749.4	 -3601.6	   410.4
-  22545.5898	   643.7	   699.6	 -3585.8	   410.6
-  22560.1211	   603.2	   658.8	 -3585.6	   410.8
-  22574.6621	   578.6	   625.5	 -3576.9	   411.0
-  22589.2129	   564.5	   598.3	 -3563.8	   411.1
-  22603.7734	   549.2	   576.2	 -3556.9	   411.3
-  22618.3438	   501.9	   558.0	 -3586.1	   411.5
-  22632.9219	   514.3	   544.4	 -3560.0	   411.7
-  22647.5098	   511.5	   536.5	 -3555.0	   411.9
-  22662.1074	   507.0	   542.3	 -3565.3	   412.1
-  22676.7148	   570.6	   590.7	 -3550.0	   412.3
-  22691.3301	   665.1	   624.8	 -3489.7	   412.5
-  22705.9570	   612.3	   599.2	 -3516.8	   412.7
-  22720.5918	   549.3	   577.3	 -3557.9	   412.8
-  22735.2363	   522.9	   559.4	 -3566.5	   413.0
-  22749.8906	   489.9	   544.8	 -3584.8	   413.2
-  22764.5547	   476.5	   532.8	 -3586.3	   413.4
-  22779.2266	   486.4	   523.1	 -3566.6	   413.6
-  22793.9102	   449.4	   515.1	 -3595.7	   413.8
-  22808.6016	   419.8	   508.6	 -3618.8	   414.0
-  22823.3027	   420.4	   503.4	 -3612.9	   414.2
-  22838.0137	   432.7	   498.7	 -3595.9	   413.7
-  22852.7344	   443.5	   495.3	 -3581.8	   412.9
-  22867.4648	   433.8	   495.8	 -3592.0	   412.1
-  22882.2031	   437.7	   508.8	 -3601.1	   411.3
-  22896.9512	   473.1	   567.2	 -3624.1	   410.5
-  22911.7109	   666.0	   795.6	 -3659.6	   409.7
-  22926.4785	  1712.8	  1664.6	 -3481.7	   408.9
-  22941.2559	  4729.3	  4586.7	 -3387.4	   408.1
-  22956.0430	  6686.7	  5717.6	 -2560.8	   407.3
-  22970.8398	  5000.0	  4797.6	 -3327.6	   406.5
-  22985.6445	  3511.8	  4028.2	 -4046.4	   405.7
-  23000.4609	  2747.5	  3394.9	 -4177.3	   404.9
-  23015.2852	  2345.0	  2873.8	 -4058.7	   404.1
-  23030.1191	  2127.9	  2444.9	 -3847.0	   403.3
-  23044.9648	  1897.6	  2092.0	 -3724.4	   402.5
-  23059.8184	  1718.3	  1801.6	 -3613.3	   401.7
-  23074.6816	  1535.1	  1562.7	 -3557.6	   400.9
-  23089.5547	  1399.2	  1366.1	 -3496.9	   400.1
-  23104.4375	  1317.5	  1204.4	 -3416.8	   399.2
-  23119.3281	  1253.5	  1071.4	 -3347.8	   398.4
-  23134.2305	  1243.5	   962.3	 -3248.8	   397.6
-  23149.1426	  1350.6	   874.1	 -3053.5	   396.8
-  23164.0625	  1399.1	   807.1	 -2938.0	   396.0
-  23178.9922	  1249.8	   773.3	 -3053.4	   395.2
-  23193.9336	  1164.4	   825.7	 -3191.2	   394.4
-  23208.8828	  1461.7	  1160.6	 -3228.8	   393.6
-  23223.8418	  1773.5	  1521.8	 -3278.3	   392.8
-  23238.8105	  1595.1	  1349.2	 -3284.1	   392.0
-  23253.7910	  1277.4	  1190.9	 -3443.5	   391.2
-  23268.7793	  1132.6	  1060.3	 -3457.7	   390.4
-  23283.7773	  1023.6	   952.6	 -3458.9	   389.5
-  23298.7832	   949.2	   863.7	 -3444.4	   388.7
-  23313.8008	   873.0	   790.3	 -3447.2	   387.9
-  23328.8281	   801.9	   729.7	 -3457.7	   387.1
-  23343.8652	   765.3	   679.6	 -3444.2	   386.3
-  23358.9121	   729.6	   638.2	 -3438.6	   385.5
-  23373.9668	   687.2	   604.0	 -3446.7	   384.7
-  23389.0332	   659.8	   575.8	 -3446.0	   383.9
-  23404.1094	   625.3	   552.5	 -3457.2	   383.0
-  23419.1934	   608.4	   534.0	 -3455.5	   382.2
-  23434.2891	   590.2	   521.0	 -3460.8	   381.4
-  23449.3945	   578.8	   519.6	 -3470.8	   380.6
-  23464.5078	   566.8	   553.5	 -3516.7	   379.8
-  23479.6328	   772.7	   713.9	 -3471.2	   379.0
-  23494.7656	  1343.7	  1262.3	 -3448.5	   378.1
-  23509.9102	  1689.2	  1452.4	 -3293.2	   377.3
-  23525.0625	  1349.5	  1277.8	 -3458.2	   376.5
-  23540.2266	  1073.6	  1131.1	 -3587.5	   375.7
-  23555.4004	   935.0	  1009.8	 -3604.7	   374.9
-  23570.5820	   848.3	   909.4	 -3591.1	   374.0
-  23585.7754	   792.0	   826.4	 -3564.3	   373.2
-  23600.9766	   725.7	   757.6	 -3561.8	   372.4
-  23616.1895	   694.9	   700.7	 -3535.8	   371.6
-  23631.4121	   663.9	   653.5	 -3519.6	   370.8
-  23646.6426	   619.2	   613.9	 -3524.6	   369.9
-  23661.8848	   599.5	   581.6	 -3512.1	   369.1
-  23677.1367	   569.0	   554.9	 -3515.9	   368.3
-  23692.3965	   554.0	   532.7	 -3508.7	   367.5
-  23707.6680	   550.8	   514.5	 -3493.6	   366.6
-  23722.9492	   520.9	   500.3	 -3509.4	   365.8
-  23738.2402	   519.0	   492.0	 -3502.9	   365.0
-  23753.5410	   515.6	   498.4	 -3512.8	   364.1
-  23768.8516	   582.5	   553.9	 -3501.3	   363.3
-  23784.1719	   858.9	   773.8	 -3444.9	   362.5
-  23799.5020	  1047.4	   931.4	 -3414.0	   361.7
-  23814.8418	   930.5	   847.6	 -3447.1	   360.8
-  23830.1914	   762.7	   773.8	 -3541.1	   360.0
-  23845.5508	   705.3	   712.6	 -3537.3	   359.2
-  23860.9219	   628.9	   661.8	 -3562.9	   358.3
-  23876.3008	   598.5	   619.6	 -3551.0	   357.5
-  23891.6895	   572.0	   584.5	 -3542.4	   356.7
-  23907.0898	   538.4	   555.3	 -3546.8	   355.8
-  23922.5000	   527.5	   531.1	 -3533.5	   355.0
-  23937.9180	   510.2	   510.7	 -3530.5	   354.2
-  23953.3477	   492.8	   493.9	 -3531.1	   353.3
-  23968.7871	   491.8	   479.8	 -3518.0	   352.5
-  23984.2363	   474.2	   468.1	 -3523.8	   351.7
-  23999.6953	   459.5	   458.3	 -3528.7	   350.8
-  24015.1641	   444.0	   450.4	 -3536.4	   350.0
-  24030.6445	   441.3	   444.9	 -3533.6	   349.2
-  24046.1328	   460.5	   444.9	 -3514.4	   348.3
-  24061.6309	   460.2	   462.1	 -3531.8	   347.5
-  24077.1406	   544.9	   541.1	 -3526.2	   346.6
-  24092.6602	   735.4	   771.3	 -3565.9	   345.8
-  24108.1895	   827.5	   792.0	 -3494.5	   345.0
-  24123.7285	   680.9	   726.0	 -3575.0	   344.1
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-  28652.3809	   532.0	   525.3	 -3523.2	   309.8
-  28670.8496	   500.5	   500.8	 -3530.3	   309.6
-  28689.3301	   487.2	   480.2	 -3523.0	   309.3
-  28707.8223	   456.1	   462.9	 -3536.7	   309.1
-  28726.3262	   460.4	   448.3	 -3517.9	   308.9
-  28744.8418	   448.7	   436.0	 -3517.3	   308.7
-  28763.3691	   425.7	   425.6	 -3529.9	   308.5
-  28781.9082	   408.8	   416.9	 -3538.1	   308.3
-  28800.4590	   408.4	   409.6	 -3531.2	   308.0
-  28819.0234	   403.8	   403.5	 -3529.7	   307.8
-  28837.5977	   385.9	   398.8	 -3542.8	   307.6
-  28856.1855	   395.6	   396.3	 -3530.7	   307.4
-  28874.7852	   387.1	   399.5	 -3542.4	   307.2
-  28893.3965	   394.5	   421.9	 -3557.4	   306.9
-  28912.0195	   485.7	   512.3	 -3556.6	   306.7
-  28930.6562	   871.6	   848.9	 -3507.3	   306.5
-  28949.3027	  2005.2	  1996.3	 -3521.0	   306.3
-  28967.9629	  3152.1	  3157.0	 -3534.8	   306.1
-  28986.6328	  2992.0	  2819.1	 -3357.1	   305.8
-  29005.3164	  2431.3	  2429.5	 -3528.2	   305.6
-  29024.0137	  2039.7	  2101.6	 -3591.9	   305.4
-  29042.7207	  1753.7	  1825.6	 -3601.9	   305.2
-  29061.4395	  1555.9	  1593.4	 -3567.5	   305.0
-  29080.1719	  1361.6	  1398.0	 -3566.4	   304.7
-  29098.9160	  1208.9	  1233.7	 -3554.7	   304.5
-  29117.6719	  1103.7	  1095.4	 -3521.6	   304.3
-  29136.4395	   995.1	   979.1	 -3514.0	   304.1
-  29155.2188	   905.4	   881.3	 -3505.8	   303.8
-  29174.0117	   841.1	   799.0	 -3487.9	   303.6
-  29192.8164	   771.1	   729.8	 -3488.7	   303.4
-  29211.6328	   705.1	   671.6	 -3496.5	   303.2
-  29230.4609	   676.1	   622.7	 -3476.6	   303.0
-  29249.3008	   622.1	   581.5	 -3489.4	   302.7
-  29268.1543	   585.5	   546.9	 -3491.4	   302.5
-  29287.0195	   554.1	   517.8	 -3493.6	   302.3
-  29305.8965	   540.9	   493.3	 -3482.3	   302.1
-  29324.7852	   509.4	   472.7	 -3493.2	   301.8
-  29343.6855	   479.9	   455.3	 -3505.4	   301.6
-  29362.5996	   458.2	   440.8	 -3512.5	   301.4
-  29381.5254	   455.6	   428.5	 -3502.8	   301.2
-  29400.4648	   445.3	   418.8	 -3503.5	   301.0
-  29419.4141	   439.6	   412.6	 -3503.0	   300.7
-  29438.3770	   426.6	   414.2	 -3517.6	   300.5
-  29457.3516	   452.8	   440.6	 -3517.7	   300.3
-  29476.3379	   576.5	   553.3	 -3506.7	   300.1
-  29495.3379	  1045.6	   969.4	 -3453.7	   299.8
-  29514.3477	  1776.6	  1724.6	 -3478.0	   299.6
-  29533.3730	  1860.8	  1681.3	 -3350.4	   299.4
-  29552.4082	  1610.1	  1472.6	 -3392.5	   299.2
-  29571.4570	  1357.2	  1296.1	 -3468.9	   298.9
-  29590.5156	  1181.5	  1147.6	 -3496.0	   298.7
-  29609.5898	  1036.7	  1022.5	 -3515.7	   298.5
-  29628.6738	   949.4	   917.3	 -3497.8	   298.3
-  29647.7715	   850.8	   828.7	 -3507.8	   298.0
-  29666.8809	   775.9	   754.1	 -3508.1	   297.8
-  29686.0039	   716.1	   691.4	 -3505.2	   297.6
-  29705.1367	   666.9	   638.5	 -3501.6	   297.4
-  29724.2832	   630.6	   594.1	 -3493.4	   297.1
-  29743.4434	   604.5	   556.7	 -3482.2	   296.9
-  29762.6133	   560.0	   525.2	 -3495.2	   296.7
-  29781.7969	   527.7	   498.7	 -3501.0	   296.5
-  29800.9941	   515.9	   476.4	 -3490.5	   296.2
-  29820.2031	   484.4	   457.6	 -3503.2	   296.0
-  29839.4238	   465.2	   441.8	 -3506.5	   295.8
-  29858.6562	   449.7	   428.4	 -3508.7	   295.6
-  29877.9023	   427.1	   417.2	 -3520.0	   295.3
-  29897.1602	   412.1	   407.7	 -3525.6	   295.1
-  29916.4297	   412.4	   399.7	 -3517.2	   294.9
-  29935.7129	   408.8	   392.6	 -3513.8	   294.6
-  29955.0078	   393.6	   387.1	 -3523.5	   294.4
-  29974.3164	   381.2	   382.9	 -3531.6	   294.2
-  29993.6348	   372.0	   380.7	 -3538.7	   294.0
-  30012.9688	   382.9	   384.0	 -3531.1	   293.7
-  30032.3125	   378.9	   405.5	 -3556.5	   293.5
-  30051.6699	   453.3	   491.1	 -3567.8	   293.3
-  30071.0410	   805.2	   807.4	 -3532.1	   293.0
-  30090.4238	  1631.8	  1737.3	 -3635.4	   292.8
-  30109.8184	  2179.5	  2184.0	 -3534.5	   292.6
-  30129.2246	  1929.9	  1916.4	 -3516.5	   292.4
-  30148.6445	  1602.3	  1668.5	 -3596.2	   292.1
-  30168.0781	  1371.3	  1459.8	 -3618.5	   291.9
-  30187.5234	  1199.5	  1284.1	 -3614.5	   291.7
-  30206.9805	  1062.6	  1136.2	 -3603.5	   291.4
-  30226.4512	   943.2	  1011.7	 -3598.5	   291.2
-  30245.9336	   848.6	   907.0	 -3588.3	   291.0
-  30265.4277	   790.9	   818.8	 -3557.9	   290.8
-  30284.9355	   704.0	   744.6	 -3570.6	   290.5
-  30304.4551	   673.7	   682.2	 -3538.5	   290.3
-  30323.9883	   630.0	   629.7	 -3529.6	   290.1
-  30343.5352	   584.0	   585.4	 -3531.4	   289.8
-  30363.0918	   545.4	   548.2	 -3532.7	   289.6
-  30382.6641	   511.6	   516.9	 -3535.2	   289.4
-  30402.2461	   491.7	   490.5	 -3528.8	   289.1
-  30421.8418	   483.0	   468.3	 -3515.3	   288.9
-  30441.4512	   459.6	   449.7	 -3520.0	   288.7
-  30461.0723	   434.9	   433.9	 -3528.9	   288.4
-  30480.7051	   421.4	   420.7	 -3529.2	   288.2
-  30500.3516	   409.5	   409.5	 -3529.9	   288.0
-  30520.0117	   407.8	   399.9	 -3522.0	   287.7
-  30539.6836	   391.5	   392.0	 -3530.4	   287.5
-  30559.3672	   376.9	   385.3	 -3538.3	   287.3
-  30579.0645	   378.4	   379.7	 -3531.2	   287.1
-  30598.7754	   376.0	   375.2	 -3529.2	   286.8
-  30618.4980	   368.6	   372.2	 -3533.5	   286.6
-  30638.2324	   372.7	   372.5	 -3529.7	   286.4
-  30657.9805	   386.1	   382.9	 -3526.8	   286.1
-  30677.7422	   432.3	   428.6	 -3526.3	   285.9
-  30697.5156	   608.7	   598.3	 -3519.5	   285.7
-  30717.3008	   924.6	   961.4	 -3566.8	   285.4
-  30737.0996	  1046.5	   989.6	 -3473.0	   285.2
-  30756.9121	   938.7	   889.1	 -3480.3	   285.0
-  30776.7363	   806.4	   803.0	 -3526.5	   284.7
-  30796.5742	   721.6	   730.6	 -3538.9	   284.5
-  30816.4238	   657.8	   669.6	 -3541.7	   284.3
-  30836.2871	   603.3	   618.2	 -3544.9	   284.0
-  30856.1621	   566.2	   574.9	 -3538.6	   283.8
-  30876.0508	   521.0	   538.5	 -3547.5	   283.5
-  30895.9512	   495.2	   507.9	 -3542.6	   283.3
-  30915.8672	   476.1	   482.0	 -3535.9	   283.1
-  30935.7930	   447.4	   460.3	 -3542.8	   282.8
-  30955.7324	   432.6	   441.9	 -3539.3	   282.6
-  30975.6855	   419.9	   426.5	 -3536.6	   282.4
-  30995.6504	   397.7	   413.5	 -3545.7	   282.1
-  31015.6289	   391.7	   402.5	 -3540.7	   281.9
-  31035.6211	   384.6	   393.2	 -3538.6	   281.7
-  31055.6250	   375.6	   385.4	 -3539.7	   281.4
-  31075.6426	   369.0	   378.8	 -3539.8	   281.2
-  31095.6719	   354.6	   373.2	 -3548.6	   281.0
-  31115.7148	   348.0	   368.5	 -3550.4	   280.7
-  31135.7715	   366.8	   364.3	 -3527.4	   280.5
-  31155.8398	   349.6	   360.9	 -3541.2	   280.2
-  31175.9219	   346.3	   358.0	 -3541.7	   280.0
-  31196.0156	   339.4	   355.6	 -3546.2	   279.8
-  31216.1230	   336.8	   353.6	 -3546.8	   279.7
-  31236.2441	   330.8	   352.2	 -3551.3	   279.5
-  31256.3770	   331.1	   351.5	 -3550.4	   279.4
-  31276.5234	   333.9	   352.8	 -3548.9	   279.3
-  31296.6836	   345.5	   361.0	 -3545.5	   279.2
-  31316.8555	   371.5	   393.1	 -3551.6	   279.1
-  31337.0410	   488.3	   510.7	 -3552.4	   279.0
-  31357.2383	   936.3	   930.0	 -3523.7	   278.9
-  31377.4512	  1768.1	  1848.4	 -3610.3	   278.8
-  31397.6758	  2018.8	  1963.1	 -3474.3	   278.7
-  31417.9121	  1770.4	  1710.5	 -3470.1	   278.6
-  31438.1641	  1489.7	  1492.6	 -3532.8	   278.4
-  31458.4277	  1300.6	  1309.2	 -3538.6	   278.3
-  31478.7031	  1133.5	  1155.0	 -3551.5	   278.2
-  31498.9941	  1007.7	  1025.3	 -3547.5	   278.1
-  31519.2969	   906.1	   916.1	 -3540.0	   278.0
-  31539.6113	   829.7	   824.4	 -3524.6	   277.9
-  31559.9414	   761.7	   747.2	 -3515.4	   277.8
-  31580.2832	   695.8	   682.3	 -3516.5	   277.7
-  31600.6387	   645.4	   627.7	 -3512.2	   277.5
-  31621.0059	   597.9	   581.8	 -3513.9	   277.4
-  31641.3887	   554.9	   543.2	 -3518.2	   277.3
-  31661.7832	   515.0	   510.8	 -3525.7	   277.2
-  31682.1914	   493.6	   483.5	 -3519.9	   277.1
-  31702.6113	   467.0	   460.6	 -3523.6	   277.0
-  31723.0449	   453.1	   441.3	 -3518.2	   276.9
-  31743.4922	   437.1	   425.1	 -3517.9	   276.8
-  31763.9531	   419.0	   411.5	 -3522.4	   276.7
-  31784.4277	   410.1	   399.9	 -3519.8	   276.5
-  31804.9141	   397.6	   390.3	 -3522.7	   276.4
-  31825.4141	   376.8	   382.2	 -3535.3	   276.3
-  31845.9277	   380.7	   375.4	 -3524.6	   276.2
-  31866.4531	   377.6	   369.6	 -3522.0	   276.1
-  31886.9922	   364.6	   364.8	 -3530.1	   276.0
-  31907.5449	   360.6	   360.7	 -3530.0	   275.9
-  31928.1113	   355.2	   357.4	 -3532.1	   275.7
-  31948.6914	   350.0	   354.8	 -3534.7	   275.6
-  31969.2832	   342.9	   353.4	 -3540.4	   275.5
-  31989.8906	   348.2	   355.2	 -3536.9	   275.4
-  32010.5098	   352.7	   367.4	 -3544.7	   275.3
-  32031.1426	   407.0	   415.6	 -3538.5	   275.2
-  32051.7871	   623.2	   591.8	 -3498.5	   275.1
-  32072.4473	  1212.5	  1156.1	 -3473.6	   275.0
-  32093.1191	  1785.7	  1671.8	 -3416.1	   274.8
-  32113.8047	  1703.9	  1518.8	 -3344.8	   274.7
-  32134.5039	  1427.7	  1330.4	 -3432.6	   274.6
-  32155.2168	  1203.5	  1171.8	 -3498.2	   274.5
-  32175.9414	  1068.7	  1038.4	 -3499.7	   274.4
-  32196.6816	   944.1	   926.3	 -3512.2	   274.3
-  32217.4336	   846.7	   832.1	 -3515.4	   274.2
-  32238.1992	   771.4	   752.9	 -3511.4	   274.0
-  32258.9785	   711.1	   686.3	 -3505.2	   273.9
-  32279.7715	   644.7	   630.4	 -3515.6	   273.8
-  32300.5781	   599.1	   583.3	 -3514.1	   273.7
-  32321.3965	   550.3	   543.8	 -3523.5	   273.6
-  32342.2305	   515.3	   510.6	 -3525.3	   273.5
-  32363.0762	   491.3	   482.7	 -3521.3	   273.4
-  32383.9355	   478.1	   459.2	 -3511.1	   273.2
-  32404.8105	   459.7	   439.5	 -3509.8	   273.1
-  32425.6953	   426.3	   422.9	 -3526.6	   273.0
-  32446.5957	   414.3	   409.0	 -3524.7	   272.9
-  32467.5098	   403.2	   397.3	 -3524.0	   272.8
-  32488.4375	   385.7	   387.3	 -3531.6	   272.7
-  32509.3770	   376.8	   379.1	 -3532.2	   272.6
-  32530.3320	   387.4	   372.1	 -3514.7	   272.4
-  32551.2988	   366.7	   366.3	 -3529.5	   272.3
-  32572.2812	   364.1	   361.4	 -3527.2	   272.2
-  32593.2754	   352.9	   357.2	 -3534.2	   272.1
-  32614.2832	   336.4	   353.7	 -3547.3	   272.0
-  32635.3047	   339.6	   350.8	 -3541.1	   271.9
-  32656.3398	   341.1	   348.3	 -3537.1	   271.7
-  32677.3887	   343.4	   346.3	 -3532.8	   271.6
-  32698.4512	   334.3	   344.7	 -3540.4	   271.5
-  32719.5273	   349.5	   344.2	 -3524.6	   271.4
-  32740.6172	   374.6	   346.2	 -3501.6	   271.3
-  32761.7207	   398.7	   357.1	 -3488.3	   271.2
-  32782.8359	   426.9	   398.6	 -3501.6	   271.1
-  32803.9688	   576.4	   548.6	 -3502.2	   270.9
-  32825.1094	  1037.9	  1041.5	 -3533.6	   270.8
-  32846.2695	  1569.3	  1606.6	 -3567.3	   270.7
-  32867.4414	  1553.0	  1494.5	 -3471.4	   270.6
-  32888.6250	  1328.3	  1308.7	 -3510.4	   270.5
-  32909.8242	  1140.6	  1152.2	 -3541.5	   270.4
-  32931.0352	   992.8	  1020.7	 -3557.9	   270.2
-  32952.2617	   857.4	   910.3	 -3582.9	   270.1
-  32973.5000	   791.3	   817.5	 -3556.2	   270.0
-  32994.7539	   721.2	   739.6	 -3548.4	   269.9
-  33016.0195	   655.5	   674.2	 -3548.7	   269.8
-  33037.3008	   598.1	   619.3	 -3551.2	   269.7
-  33058.5938	   569.2	   573.1	 -3533.9	   269.5
-  33079.9023	   528.2	   534.4	 -3536.1	   269.4
-  33101.2266	   509.3	   501.9	 -3522.6	   269.3
-  33122.5625	   474.2	   474.6	 -3530.3	   269.2
-  33143.9102	   453.9	   451.6	 -3527.7	   269.1
-  33165.2734	   427.9	   432.4	 -3534.5	   269.0
-  33186.6484	   410.1	   416.2	 -3536.1	   268.8
-  33208.0391	   401.3	   402.6	 -3531.3	   268.7
-  33229.4453	   400.3	   391.1	 -3520.8	   268.6
-  33250.8633	   386.2	   381.6	 -3525.3	   268.5
-  33272.2969	   362.7	   373.5	 -3540.8	   268.4
-  33293.7422	   360.5	   366.8	 -3536.2	   268.2
-  33315.1992	   361.6	   361.1	 -3529.4	   268.1
-  33336.6758	   348.2	   356.3	 -3538.0	   268.0
-  33358.1602	   335.6	   352.3	 -3546.7	   267.9
-  33379.6641	   345.2	   348.9	 -3533.6	   267.8
-  33401.1797	   338.8	   346.0	 -3537.1	   267.7
-  33422.7070	   329.7	   343.6	 -3543.8	   267.5
-  33444.2500	   329.2	   341.5	 -3542.3	   267.4
-  33465.8047	   335.4	   339.8	 -3534.4	   267.3
-  33487.3750	   328.0	   338.4	 -3540.4	   267.2
-  33508.9609	   328.9	   337.2	 -3538.2	   267.1
-  33530.5586	   312.9	   336.4	 -3553.5	   266.9
-  33552.1719	   313.2	   336.5	 -3553.2	   266.8
-  33573.7969	   316.5	   339.1	 -3552.5	   266.7
-  33595.4375	   328.8	   350.4	 -3551.6	   266.6
-  33617.0938	   372.8	   392.3	 -3549.5	   266.5
-  33638.7617	   482.6	   522.3	 -3569.6	   266.4
-  33660.4414	   597.4	   634.3	 -3566.8	   266.2
-  33682.1367	   584.9	   599.6	 -3544.6	   266.1
-  33703.8477	   526.8	   556.0	 -3559.2	   266.0
-  33725.5742	   482.4	   519.4	 -3567.0	   265.9
-  33747.3086	   454.1	   488.7	 -3564.6	   265.8
-  33769.0625	   444.0	   462.9	 -3548.9	   265.6
-  33790.8281	   413.2	   441.2	 -3558.0	   265.5
-  33812.6094	   393.4	   423.1	 -3559.7	   265.4
-  33834.4023	   378.9	   407.8	 -3558.8	   265.3
-  33856.2109	   370.5	   395.0	 -3554.4	   265.2
-  33878.0312	   352.8	   384.2	 -3561.4	   265.0
-  33899.8672	   354.0	   375.2	 -3551.2	   264.9
-  33921.7188	   346.1	   367.6	 -3551.4	   264.8
-  33943.5820	   339.3	   361.2	 -3551.9	   264.7
-  33965.4609	   330.7	   355.8	 -3555.1	   264.6
-  33987.3555	   326.6	   351.3	 -3554.6	   264.4
-  34009.2617	   331.9	   347.5	 -3545.6	   264.3
-  34031.1836	   328.3	   344.2	 -3545.8	   264.2
-  34053.1172	   329.3	   341.5	 -3542.1	   264.1
-  34075.0664	   312.1	   339.2	 -3557.1	   264.0
-  34097.0312	   306.3	   337.3	 -3561.0	   263.8
-  34119.0078	   315.5	   335.7	 -3550.1	   263.7
-  34141.0000	   316.5	   334.3	 -3547.7	   263.6
-  34163.0039	   323.8	   333.1	 -3539.2	   263.5
-  34185.0234	   364.2	   332.1	 -3497.9	   263.4
-  34207.0586	   403.0	   331.2	 -3458.2	   263.2
-  34229.1055	   406.7	   330.5	 -3453.8	   263.1
-  34251.1680	   406.0	   329.9	 -3453.8	   263.0
-  34273.2461	   383.7	   329.3	 -3475.6	   262.9
-  34295.3359	   378.6	   328.8	 -3480.2	   262.7
-  34317.4414	   357.2	   328.5	 -3501.3	   262.6
-  34339.5625	   362.0	   328.2	 -3496.2	   262.5
-  34361.6953	   358.0	   328.4	 -3500.4	   262.4
-  34383.8438	   355.4	   330.0	 -3504.6	   262.3
-  34406.0039	   347.0	   336.4	 -3519.4	   262.1
-  34428.1836	   338.8	   359.6	 -3550.8	   262.0
-  34450.3711	   421.3	   441.7	 -3550.4	   261.9
-  34472.5781	   710.7	   731.3	 -3550.6	   261.8
-  34494.7969	  1806.8	  1746.7	 -3469.8	   261.7
-  34517.0312	  4278.9	  4486.6	 -3737.6	   261.5
-  34539.2812	  6021.2	  5949.4	 -3458.1	   261.4
-  34561.5430	  5506.7	  5173.8	 -3197.1	   261.3
-  34583.8203	  4520.2	  4384.9	 -3394.7	   261.2
-  34606.1094	  3708.6	  3723.7	 -3545.0	   261.0
-  34628.4141	  3130.7	  3169.8	 -3569.0	   260.9
-  34650.7344	  2648.9	  2705.8	 -3586.9	   260.8
-  34673.0703	  2265.8	  2317.2	 -3581.4	   260.7
-  34695.4180	  1955.1	  1991.9	 -3566.7	   260.6
-  34717.7812	  1712.8	  1719.4	 -3536.6	   260.4
-  34740.1602	  1505.7	  1491.3	 -3515.6	   260.3
-  34762.5508	  1333.9	  1300.4	 -3496.4	   260.2
-  34784.9570	  1172.1	  1140.6	 -3498.5	   260.1
-  34807.3789	  1047.7	  1006.8	 -3489.0	   259.9
-  34829.8125	   942.0	   894.9	 -3482.8	   259.8
-  34852.2617	   861.8	   801.2	 -3469.3	   259.7
-  34874.7266	   766.4	   722.7	 -3486.3	   259.6
-  34897.2070	   711.2	   657.1	 -3475.9	   259.5
-  34919.6992	   670.7	   602.3	 -3461.5	   259.3
-  34942.2070	   620.7	   556.3	 -3465.7	   259.2
-  34964.7305	   561.8	   517.9	 -3486.1	   259.1
-  34987.2656	   531.0	   485.8	 -3484.8	   259.0
-  35009.8164	   513.0	   458.9	 -3475.8	   258.8
-  35032.3828	   476.0	   436.4	 -3490.3	   258.7
-  35054.9609	   451.9	   417.6	 -3495.6	   258.6
-  35077.5586	   439.9	   401.8	 -3491.8	   258.5
-  35100.1680	   423.9	   388.7	 -3494.7	   258.3
-  35122.7891	   403.2	   377.6	 -3504.4	   258.2
-  35145.4297	   397.0	   368.4	 -3501.4	   258.1
-  35168.0820	   382.8	   360.6	 -3507.8	   258.0
-  35190.7500	   372.4	   354.2	 -3511.7	   257.8
-  35213.4336	   371.5	   348.7	 -3507.2	   257.7
-  35236.1289	   372.7	   344.2	 -3501.5	   257.6
-  35258.8398	   364.4	   340.4	 -3505.9	   257.5
-  35281.5664	   357.3	   337.2	 -3509.8	   257.3
-  35304.3086	   346.2	   334.7	 -3518.4	   257.2
-  35327.0625	   341.8	   333.0	 -3521.2	   257.1
-  35349.8359	   332.6	   333.2	 -3530.5	   257.0
-  35372.6211	   338.0	   338.9	 -3530.9	   256.9
-  35395.4180	   357.7	   363.3	 -3535.6	   256.7
-  35418.2344	   449.7	   452.2	 -3532.4	   256.6
-  35441.0625	   776.7	   764.3	 -3517.6	   256.5
-  35463.9062	  1509.3	  1569.5	 -3590.1	   256.4
-  35486.7656	  1967.5	  1960.5	 -3522.9	   256.2
-  35509.6367	  1775.0	  1730.2	 -3485.2	   256.1
-  35532.5234	  1478.1	  1498.5	 -3550.4	   256.0
-  35555.4297	  1276.0	  1304.6	 -3558.6	   255.8
-  35578.3438	  1111.7	  1142.5	 -3560.7	   255.7
-  35601.2773	   964.6	  1006.9	 -3572.3	   255.6
-  35624.2227	   847.4	   893.6	 -3576.2	   255.5
-  35647.1875	   762.4	   798.9	 -3566.4	   255.3
-  35670.1641	   694.1	   719.7	 -3555.5	   255.2
-  35693.1523	   641.3	   653.5	 -3542.2	   255.1
-  35716.1602	   586.7	   598.2	 -3541.4	   255.0
-  35739.1797	   542.3	   552.0	 -3539.6	   254.8
-  35762.2188	   500.1	   513.3	 -3543.2	   254.7
-  35785.2695	   469.9	   481.0	 -3541.1	   254.6
-  35808.3320	   456.3	   453.8	 -3527.5	   254.5
-  35831.4141	   426.7	   431.3	 -3534.5	   254.3
-  35854.5078	   412.4	   412.5	 -3530.1	   254.2
-  35877.6211	   401.9	   396.8	 -3524.9	   254.1
-  35900.7461	   375.4	   383.6	 -3538.2	   254.0
-  35923.8828	   370.7	   372.6	 -3531.9	   253.8
-  35947.0391	   366.5	   363.5	 -3526.9	   253.7
-  35970.2109	   354.9	   355.8	 -3530.8	   253.6
-  35993.3945	   352.5	   349.3	 -3526.7	   253.5
-  36016.5938	   335.7	   343.9	 -3538.2	   253.3
-  36039.8086	   327.1	   339.4	 -3542.3	   253.2
-  36063.0391	   333.6	   335.6	 -3531.9	   253.1
-  36086.2812	   326.9	   332.4	 -3535.4	   252.9
-  36109.5430	   321.2	   329.8	 -3538.5	   252.8
-  36132.8164	   310.3	   327.5	 -3547.2	   252.7
-  36156.1055	   318.7	   325.6	 -3536.9	   252.6
-  36179.4102	   310.5	   324.0	 -3543.5	   252.4
-  36202.7305	   306.7	   322.7	 -3545.9	   252.3
-  36226.0664	   310.1	   321.5	 -3541.3	   252.2
-  36249.4141	   303.8	   320.5	 -3546.7	   252.0
-  36272.7812	   307.2	   319.7	 -3542.4	   251.9
-  36296.1602	   308.0	   319.0	 -3540.9	   251.8
-  36319.5547	   302.2	   318.4	 -3546.1	   251.7
-  36342.9648	   295.4	   318.0	 -3552.6	   251.5
-  36366.3906	   301.7	   318.2	 -3546.4	   251.4
-  36389.8281	   291.7	   319.9	 -3558.1	   251.3
-  36413.2852	   302.9	   326.8	 -3553.9	   251.2
-  36436.7539	   320.4	   352.0	 -3561.6	   251.0
-  36460.2422	   431.2	   440.3	 -3539.1	   250.9
-  36483.7422	   728.2	   714.3	 -3516.1	   250.8
-  36507.2578	  1050.8	  1020.7	 -3499.8	   250.6
-  36530.7891	  1062.3	   970.4	 -3438.0	   250.5
-  36554.3320	   927.6	   862.1	 -3464.4	   250.4
-  36577.8945	   818.4	   770.9	 -3482.4	   250.3
-  36601.4727	   728.9	   694.8	 -3495.8	   250.1
-  36625.0625	   622.7	   631.3	 -3538.5	   250.0
-  36648.6719	   572.9	   578.3	 -3535.4	   249.9
-  36672.2930	   522.1	   534.1	 -3541.9	   249.7
-  36695.9297	   481.1	   497.3	 -3546.1	   249.6
-  36719.5820	   458.4	   466.5	 -3538.1	   249.5
-  36743.2500	   425.3	   440.9	 -3545.5	   249.3
-  36766.9336	   404.5	   419.5	 -3544.9	   249.2
-  36790.6328	   381.2	   401.6	 -3550.4	   249.1
-  36814.3438	   376.3	   386.7	 -3540.3	   249.0
-  36838.0742	   371.5	   374.2	 -3532.7	   248.8
-  36861.8164	   355.2	   363.8	 -3538.6	   248.7
-  36885.5781	   337.7	   355.2	 -3547.4	   248.6
-  36909.3516	   335.1	   347.9	 -3542.8	   248.4
-  36933.1406	   329.7	   341.9	 -3542.1	   248.3
-  36956.9492	   329.8	   336.8	 -3536.9	   248.2
-  36980.7695	   327.9	   332.6	 -3534.7	   248.0
-  37004.6055	   323.4	   329.0	 -3535.6	   247.9
-  37028.4570	   322.6	   326.1	 -3533.4	   247.8
-  37052.3242	   312.4	   323.6	 -3541.1	   247.7
-  37076.2031	   306.4	   321.5	 -3545.0	   247.5
-  37100.1016	   304.4	   319.7	 -3545.3	   247.4
-  37124.0156	   303.0	   318.2	 -3545.2	   247.3
-  37147.9453	   293.2	   316.9	 -3553.7	   247.1
-  37171.8867	   290.3	   315.9	 -3555.6	   247.0
-  37195.8477	   305.6	   315.0	 -3539.3	   246.9
-  37219.8203	   291.8	   314.2	 -3552.3	   246.7
-  37243.8125	   290.3	   313.5	 -3553.1	   246.6
-  37267.8164	   291.6	   312.9	 -3551.3	   246.5
-  37291.8398	   291.1	   312.6	 -3551.4	   246.6
-  37315.8750	   292.2	   312.4	 -3550.2	   246.6
-  37339.9297	   283.9	   312.2	 -3558.3	   246.7
-  37363.9961	   286.1	   312.1	 -3555.9	   246.8
-  37388.0781	   292.6	   312.0	 -3549.4	   246.9
-  37412.1758	   287.9	   312.1	 -3554.1	   246.9
-  37436.2930	   294.1	   312.4	 -3548.3	   247.0
-  37460.4219	   298.8	   313.8	 -3545.0	   247.1
-  37484.5664	   289.3	   318.8	 -3559.4	   247.2
-  37508.7266	   306.0	   335.8	 -3559.8	   247.2
-  37532.9023	   365.2	   394.8	 -3559.6	   247.3
-  37557.0938	   575.9	   598.2	 -3552.3	   247.4
-  37581.3047	  1299.1	  1300.6	 -3531.5	   247.5
-  37605.5273	  3336.2	  3475.4	 -3669.2	   247.5
-  37629.7656	  5791.4	  6101.8	 -3840.3	   247.6
-  37654.0195	  6032.4	  5810.9	 -3308.4	   247.7
-  37678.2891	  5020.3	  4896.4	 -3406.0	   247.8
-  37702.5742	  4117.4	  4123.3	 -3535.9	   247.8
-  37726.8750	  3420.4	  3480.2	 -3589.8	   247.9
-  37751.1953	  2852.1	  2945.3	 -3623.2	   248.0
-  37775.5273	  2382.2	  2500.6	 -3648.3	   248.1
-  37799.8750	  2048.6	  2130.7	 -3612.1	   248.1
-  37824.2383	  1748.5	  1823.2	 -3604.7	   248.2
-  37848.6172	  1509.2	  1567.6	 -3588.3	   248.3
-  37873.0156	  1316.5	  1355.1	 -3568.6	   248.4
-  37897.4258	  1146.9	  1178.5	 -3561.6	   248.4
-  37921.8516	  1030.8	  1031.8	 -3531.0	   248.5
-  37946.2969	   915.3	   909.9	 -3524.6	   248.6
-  37970.7539	   838.9	   808.6	 -3499.7	   248.7
-  37995.2266	   740.2	   724.5	 -3514.3	   248.7
-  38019.7188	   675.3	   654.6	 -3509.3	   248.8
-  38044.2227	   628.7	   596.6	 -3497.9	   248.9
-  38068.7461	   577.5	   548.5	 -3500.9	   249.0
-  38093.2812	   541.3	   508.5	 -3497.2	   249.1
-  38117.8359	   509.7	   475.3	 -3495.6	   249.1
-  38142.4062	   478.0	   447.8	 -3499.8	   249.2
-  38166.9883	   463.8	   425.0	 -3491.1	   249.3
-  38191.5898	   438.4	   406.0	 -3497.6	   249.4
-  38216.2070	   407.4	   390.3	 -3512.9	   249.4
-  38240.8398	   395.1	   377.3	 -3512.1	   249.5
-  38265.4883	   374.6	   366.5	 -3521.9	   249.6
-  38290.1523	   361.6	   357.6	 -3525.9	   249.7
-  38314.8320	   354.9	   350.2	 -3525.2	   249.7
-  38339.5273	   359.4	   344.0	 -3514.6	   249.8
-  38364.2383	   351.4	   339.0	 -3517.5	   249.9
-  38388.9688	   341.0	   334.8	 -3523.8	   250.0
-  38413.7109	   337.8	   331.3	 -3523.5	   250.0
-  38438.4727	   342.5	   328.5	 -3515.9	   250.1
-  38463.2461	   325.1	   326.1	 -3531.0	   250.2
-  38488.0391	   318.6	   324.2	 -3535.6	   250.3
-  38512.8477	   319.9	   322.6	 -3532.6	   250.4
-  38537.6719	   316.6	   321.3	 -3534.6	   250.4
-  38562.5117	   321.0	   320.2	 -3529.2	   250.5
-  38587.3672	   313.4	   319.4	 -3535.9	   250.6
-  38612.2383	   309.0	   318.7	 -3539.7	   250.7
-  38637.1250	   299.1	   318.3	 -3549.1	   250.7
-  38662.0273	   306.8	   318.4	 -3541.6	   250.8
-  38686.9492	   310.4	   320.0	 -3539.6	   250.9
-  38711.8828	   318.3	   326.3	 -3538.0	   251.0
-  38736.8359	   329.6	   348.9	 -3549.2	   251.0
-  38761.8047	   398.0	   426.6	 -3558.5	   251.1
-  38786.7891	   673.1	   693.5	 -3550.4	   251.2
-  38811.7891	  1649.1	  1608.5	 -3489.3	   251.3
-  38836.8047	  4369.3	  4468.3	 -3628.9	   251.4
-  38861.8359	  7995.7	  8372.1	 -3906.4	   251.4
-  38886.8867	  8607.8	  8274.8	 -3197.0	   251.5
-  38911.9492	  7257.4	  6947.2	 -3219.7	   251.6
-  38937.0312	  5881.9	  5810.7	 -3458.7	   251.7
-  38962.1289	  4831.4	  4868.4	 -3566.9	   251.7
-  38987.2422	  3939.7	  4087.2	 -3677.5	   251.8
-  39012.3711	  3350.6	  3439.8	 -3619.1	   251.9
-  39037.5156	  2823.7	  2903.3	 -3609.5	   252.0
-  39062.6797	  2403.0	  2458.6	 -3585.6	   252.1
-  39087.8555	  2022.7	  2090.2	 -3597.5	   252.1
-  39113.0508	  1747.6	  1784.9	 -3567.3	   252.2
-  39138.2617	  1508.6	  1532.1	 -3553.4	   252.3
-  39163.4883	  1311.3	  1322.7	 -3541.4	   252.4
-  39188.7305	  1175.8	  1149.3	 -3503.5	   252.4
-  39213.9922	  1035.4	  1005.8	 -3500.3	   252.5
-  39239.2656	   929.8	   886.9	 -3487.1	   252.6
-  39264.5586	   815.5	   788.5	 -3503.0	   252.7
-  39289.8672	   756.4	   707.1	 -3480.6	   252.8
-  39315.1914	   695.4	   639.7	 -3474.2	   252.8
-  39340.5312	   629.9	   584.0	 -3484.1	   252.9
-  39365.8867	   589.0	   537.9	 -3478.9	   253.0
-  39391.2617	   562.9	   499.7	 -3466.8	   253.1
-  39416.6523	   515.1	   468.2	 -3483.1	   253.2
-  39442.0586	   480.9	   442.1	 -3491.2	   253.2
-  39467.4805	   465.5	   420.6	 -3485.0	   253.3
-  39492.9180	   445.3	   402.8	 -3487.4	   253.4
-  39518.3750	   425.0	   388.0	 -3493.0	   253.5
-  39543.8477	   409.9	   375.9	 -3495.9	   253.5
-  39569.3359	   388.3	   365.9	 -3507.5	   253.6
-  39594.8398	   375.1	   357.6	 -3512.5	   253.7
-  39620.3594	   357.6	   350.8	 -3523.1	   253.8
-  39645.8984	   352.6	   345.1	 -3522.5	   253.9
-  39671.4531	   348.2	   340.5	 -3522.2	   253.9
-  39697.0234	   331.7	   336.7	 -3534.9	   254.0
-  39722.6094	   329.5	   333.5	 -3534.0	   254.1
-  39748.2109	   330.0	   331.0	 -3530.9	   254.2
-  39773.8320	   332.5	   328.8	 -3526.3	   254.3
-  39799.4688	   329.0	   327.1	 -3528.1	   254.3
-  39825.1211	   319.8	   325.7	 -3535.8	   254.4
-  39850.7891	   312.5	   324.5	 -3542.0	   254.5
-  39876.4766	   313.7	   323.6	 -3539.8	   254.6
-  39902.1797	   314.2	   322.8	 -3538.6	   254.7
-  39927.8984	   299.9	   322.2	 -3552.3	   254.7
-  39953.6328	   299.9	   321.7	 -3551.8	   254.8
-  39979.3867	   293.4	   321.3	 -3557.9	   254.9
-  40005.1562	   302.4	   321.0	 -3548.6	   255.0
-  40030.9414	   329.2	   320.8	 -3521.6	   255.1
-  40056.7422	   386.2	   320.6	 -3464.4	   255.1
-  40082.5625	   592.4	   320.5	 -3258.0	   255.2
-  40108.3984	   920.1	   320.4	 -2930.2	   255.3
-  40134.2500	  1073.3	   320.3	 -2776.9	   255.4
-  40160.1172	   981.2	   320.3	 -2869.0	   255.5
-  40186.0039	   855.7	   320.2	 -2994.5	   255.5
-  40211.9062	   722.2	   320.2	 -3128.0	   255.6
-  40237.8242	   642.9	   320.2	 -3207.3	   255.7
-  40263.7617	   580.7	   320.3	 -3269.5	   255.8
-  40289.7109	   528.2	   320.3	 -3322.0	   255.9
-  40315.6797	   491.0	   320.3	 -3359.3	   255.9
-  40341.6680	   462.0	   320.4	 -3388.3	   256.0
-  40367.6680	   420.2	   320.4	 -3430.2	   256.1
-  40393.6875	   408.2	   320.5	 -3442.2	   256.2
-  40419.7227	   379.5	   320.5	 -3470.9	   256.3
-  40445.7773	   369.7	   320.6	 -3480.8	   256.3
-  40471.8477	   355.2	   320.6	 -3495.4	   256.4
-  40497.9336	   343.2	   320.7	 -3507.5	   256.5
-  40524.0352	   332.4	   320.8	 -3518.3	   256.6
-  40550.1562	   322.6	   320.9	 -3528.2	   256.7
-  40576.2930	   316.7	   321.0	 -3534.2	   256.7
-  40602.4453	   317.8	   321.1	 -3533.2	   256.8
-  40628.6172	   307.4	   321.1	 -3543.7	   256.9
-  40654.8047	   302.4	   321.2	 -3548.8	   257.0
-  40681.0078	   295.8	   321.3	 -3555.4	   257.1
-  40707.2305	   294.0	   321.4	 -3557.3	   257.2
-  40733.4688	   297.3	   321.5	 -3554.1	   257.2
-  40759.7227	   296.4	   321.5	 -3555.1	   257.3
-  40785.9961	   296.9	   321.6	 -3554.6	   257.4
-  40812.2812	   283.2	   321.7	 -3568.5	   257.5
-  40838.5898	   291.3	   321.8	 -3560.4	   257.6
-  40864.9102	   275.0	   321.9	 -3576.9	   257.6
-  40891.2500	   274.9	   321.9	 -3577.0	   257.7
-  40917.6094	   278.4	   322.0	 -3573.5	   257.8
-  40943.9805	   283.6	   322.1	 -3568.5	   257.9
-  40970.3711	   287.4	   322.2	 -3564.8	   258.0
-  40996.7812	   277.3	   322.3	 -3574.9	   258.1
-  41023.2031	   284.4	   322.4	 -3567.9	   258.1
-  41049.6445	   281.4	   322.4	 -3571.0	   258.2
-  41076.1055	   272.2	   322.5	 -3580.3	   258.3
-  41102.5820	   279.1	   322.6	 -3573.4	   258.4
-  41129.0742	   287.4	   322.7	 -3565.2	   258.5
-  41155.5820	   284.2	   322.8	 -3568.5	   258.5
-  41182.1094	   288.5	   322.8	 -3564.4	   258.6
-  41208.6562	   281.3	   322.9	 -3571.5	   258.7
-  41235.2148	   287.6	   322.7	 -3565.0	   258.5
-  41261.7930	   289.5	   322.4	 -3562.9	   258.2
-  41288.3906	   274.8	   322.1	 -3577.3	   257.9
-  41315.0039	   274.6	   321.8	 -3577.2	   257.6
-  41341.6328	   287.0	   321.5	 -3564.5	   257.3
-  41368.2773	   286.5	   321.3	 -3564.7	   257.0
-  41394.9414	   282.7	   321.0	 -3568.2	   256.7
-  41421.6250	   282.4	   320.7	 -3568.2	   256.4
-  41448.3242	   275.9	   320.4	 -3574.5	   256.2
-  41475.0391	   279.8	   320.2	 -3570.3	   255.9
-  41501.7734	   281.0	   320.1	 -3569.1	   255.6
-  41528.5234	   288.9	   320.6	 -3561.6	   255.3
-  41555.2891	   282.3	   323.0	 -3570.6	   255.0
-  41582.0742	   295.2	   331.5	 -3566.3	   254.7
-  41608.8750	   310.1	   361.1	 -3580.9	   254.4
-  41635.6953	   402.8	   461.3	 -3588.4	   254.1
-  41662.5312	   761.7	   799.7	 -3568.0	   253.8
-  41689.3867	  1940.3	  1939.6	 -3529.2	   253.5
-  41716.2578	  5332.1	  5409.0	 -3606.9	   253.2
-  41743.1445	  9901.3	 10321.0	 -3949.7	   252.9
-  41770.0508	 10786.4	 10561.7	 -3305.2	   252.6
-  41796.9727	  9142.9	  8828.9	 -3216.0	   252.3
-  41823.9141	  7377.6	  7309.4	 -3461.7	   252.0
-  41850.8711	  5968.2	  6059.9	 -3621.7	   251.7
-  41877.8477	  4847.1	  5033.0	 -3715.8	   251.4
-  41904.8398	  4020.3	  4189.0	 -3698.7	   251.1
-  41931.8477	  3337.5	  3495.6	 -3688.1	   250.8
-  41958.8750	  2785.3	  2925.9	 -3670.6	   250.5
-  41985.9219	  2326.1	  2457.8	 -3661.6	   250.2
-  42012.9844	  1993.4	  2073.3	 -3609.8	   249.9
-  42040.0625	  1706.6	  1757.5	 -3580.9	   249.6
-  42067.1602	  1477.0	  1498.1	 -3551.0	   249.3
-  42094.2734	  1267.7	  1285.1	 -3547.3	   249.0
-  42121.4062	  1131.2	  1110.2	 -3509.0	   248.7
-  42148.5586	   992.3	   966.5	 -3504.2	   248.4
-  42175.7227	   873.5	   848.6	 -3505.1	   248.1
-  42202.9102	   775.0	   751.8	 -3506.8	   247.8
-  42230.1094	   708.1	   672.3	 -3494.2	   247.5
-  42257.3320	   656.4	   607.0	 -3480.6	   247.2
-  42284.5664	   600.0	   553.4	 -3483.4	   246.9
-  42311.8203	   568.8	   509.4	 -3470.6	   246.6
-  42339.0938	   526.4	   473.3	 -3476.8	   246.3
-  42366.3828	   497.4	   443.6	 -3476.2	   246.0
-  42393.6914	   464.4	   419.2	 -3484.7	   245.7
-  42421.0156	   430.6	   399.1	 -3498.5	   245.4
-  42448.3594	   424.4	   382.6	 -3488.2	   245.1
-  42475.7188	   393.8	   369.1	 -3505.2	   244.8
-  42503.0977	   386.0	   357.9	 -3501.9	   244.5
-  42530.4922	   373.5	   348.7	 -3505.2	   244.2
-  42557.9062	   362.2	   341.1	 -3508.8	   243.9
-  42585.3359	   353.5	   334.8	 -3511.3	   243.6
-  42612.7852	   351.7	   329.6	 -3507.8	   243.3
-  42640.2539	   334.9	   325.3	 -3520.3	   243.0
-  42667.7344	   332.4	   321.7	 -3519.2	   242.7
-  42695.2383	   323.3	   318.7	 -3525.3	   242.4
-  42722.7578	   309.7	   316.2	 -3536.4	   242.1
-  42750.2930	   311.7	   314.1	 -3532.3	   241.8
-  42777.8477	   304.6	   312.3	 -3537.7	   241.5
-  42805.4219	   293.4	   310.8	 -3547.4	   241.2
-  42833.0117	   299.5	   309.5	 -3540.0	   240.9
-  42860.6211	   306.2	   308.4	 -3532.2	   240.6
-  42888.2461	   295.0	   307.4	 -3542.4	   240.3
-  42915.8906	   281.5	   306.6	 -3555.1	   240.0
-  42943.5508	   286.4	   305.9	 -3549.4	   239.7
-  42971.2305	   288.8	   305.2	 -3546.3	   239.3
-  42998.9297	   280.3	   304.6	 -3554.3	   239.0
-  43026.6445	   276.5	   304.0	 -3557.5	   238.7
-  43054.3789	   279.7	   303.5	 -3553.8	   238.4
-  43082.1289	   281.6	   303.1	 -3551.5	   238.1
-  43109.8984	   281.2	   302.6	 -3551.4	   237.8
-  43137.6836	   289.9	   302.2	 -3542.3	   237.5
-  43165.4883	   283.0	   301.8	 -3548.7	   237.2
-  43193.3086	   270.0	   301.4	 -3561.4	   236.9
-  43221.1523	   274.6	   301.1	 -3556.5	   236.6
-  43249.0078	   273.8	   300.8	 -3557.0	   236.3
-  43276.8867	   275.4	   300.7	 -3555.3	   236.0
-  43304.7812	   286.0	   301.2	 -3545.2	   235.7
-  43332.6914	   274.9	   303.5	 -3558.5	   235.4
-  43360.6211	   290.1	   312.0	 -3551.9	   235.1
-  43388.5703	   316.7	   341.2	 -3554.5	   234.7
-  43416.5391	   388.7	   431.4	 -3572.7	   234.4
-  43444.5195	   515.6	   575.2	 -3589.6	   234.1
-  43472.5234	   552.5	   599.6	 -3577.1	   233.8
-  43500.5430	   508.2	   549.5	 -3571.3	   233.5
-  43528.5820	   445.9	   503.2	 -3587.2	   233.2
-  43556.6406	   415.7	   465.2	 -3579.4	   232.9
-  43584.7148	   396.4	   434.1	 -3567.6	   232.6
-  43612.8086	   372.8	   408.6	 -3565.8	   232.3
-  43640.9180	   350.6	   387.7	 -3567.1	   232.0
-  43669.0469	   322.2	   370.6	 -3578.4	   231.7
-  43697.1953	   322.2	   356.6	 -3564.3	   231.3
-  43725.3594	   313.2	   345.0	 -3561.8	   231.0
-  43753.5430	   315.0	   335.6	 -3550.5	   230.7
-  43781.7422	   313.8	   327.8	 -3544.0	   230.4
-  43809.9648	   308.6	   321.4	 -3542.8	   230.1
-  43838.2031	   304.8	   316.1	 -3541.2	   229.8
-  43866.4570	   290.1	   311.7	 -3551.6	   229.5
-  43894.7305	   279.3	   308.1	 -3558.7	   229.2
-  43923.0234	   274.9	   305.0	 -3560.1	   228.8
-  43951.3359	   287.0	   302.5	 -3545.5	   228.5
-  43979.6641	   278.0	   300.4	 -3552.4	   228.2
-  44008.0117	   273.4	   298.6	 -3555.1	   227.9
-  44036.3789	   275.2	   297.1	 -3551.8	   227.6
-  44064.7617	   275.1	   295.8	 -3550.6	   227.3
-  44093.1641	   272.6	   294.7	 -3552.1	   227.0
-  44121.5820	   276.0	   293.7	 -3547.7	   226.7
-  44150.0234	   275.2	   292.9	 -3547.7	   226.3
-  44178.4805	   265.6	   292.1	 -3556.5	   226.0
-  44206.9531	   269.8	   291.5	 -3551.7	   225.7
-  44235.4492	   272.6	   290.9	 -3548.2	   225.4
-  44263.9609	   270.6	   290.3	 -3549.7	   225.1
-  44292.4922	   277.1	   289.8	 -3542.6	   224.8
-  44321.0391	   281.9	   289.4	 -3537.4	   224.5
-  44349.6094	   294.5	   288.9	 -3524.3	   224.1
-  44378.1914	   306.7	   288.5	 -3511.8	   223.8
-  44406.7969	   313.9	   288.1	 -3504.1	   223.5
-  44435.4219	   330.4	   287.7	 -3487.3	   223.2
-  44464.0625	   329.2	   287.3	 -3488.1	   222.9
-  44492.7227	   330.2	   287.0	 -3486.7	   222.6
-  44521.3984	   323.0	   286.6	 -3493.6	   222.2
-  44550.0938	   317.9	   286.3	 -3498.4	   221.9
-  44578.8086	   310.1	   285.9	 -3505.8	   221.6
-  44607.5430	   302.3	   285.6	 -3513.2	   221.3
-  44636.2969	   298.2	   285.3	 -3517.1	   221.0
-  44665.0664	   291.3	   284.9	 -3523.6	   220.7
-  44693.8555	   294.8	   284.6	 -3519.7	   220.3
-  44722.6641	   291.5	   284.3	 -3522.8	   220.0
-  44751.4883	   291.1	   284.0	 -3522.8	   219.7
-  44780.3320	   277.7	   283.6	 -3535.9	   219.4
-  44809.1953	   273.1	   283.3	 -3540.2	   219.1
-  44838.0781	   283.9	   283.1	 -3529.2	   218.9
-  44866.9805	   281.0	   283.0	 -3532.0	   218.8
-  44895.8984	   273.0	   283.0	 -3539.9	   218.7
-  44924.8359	   283.3	   282.9	 -3529.6	   218.7
-  44953.7930	   271.6	   282.8	 -3541.2	   218.6
-  44982.7695	   273.9	   282.8	 -3538.9	   218.6
-  45011.7617	   269.4	   282.7	 -3543.2	   218.5
-  45040.7734	   272.3	   282.7	 -3540.3	   218.4
-  45069.8047	   271.3	   282.7	 -3541.3	   218.4
-  45098.8555	   279.3	   282.8	 -3533.5	   218.3
-  45127.9258	   285.1	   283.3	 -3528.2	   218.2
-  45157.0117	   290.1	   285.2	 -3525.1	   218.2
-  45186.1172	   291.5	   291.4	 -3529.9	   218.1
-  45215.2422	   306.4	   312.0	 -3535.6	   218.1
-  45244.3867	   359.0	   380.1	 -3551.1	   218.0
-  45273.5508	   586.5	   604.8	 -3548.3	   217.9
-  45302.7305	  1408.2	  1345.7	 -3467.5	   217.9
-  45331.9297	  3875.4	  3743.0	 -3397.5	   217.8
-  45361.1484	  9431.3	  9551.2	 -3649.9	   217.8
-  45390.3867	 14049.5	 14119.8	 -3600.2	   217.7
-  45419.6445	 13459.8	 12894.4	 -2964.6	   217.6
-  45448.9180	 10937.7	 10566.8	 -3159.0	   217.6
-  45478.2148	  8656.1	  8627.9	 -3501.8	   217.5
-  45507.5273	  6872.2	  7053.6	 -3711.4	   217.5
-  45536.8594	  5538.7	  5775.5	 -3766.7	   217.4
-  45566.2109	  4488.4	  4737.9	 -3779.5	   217.3
-  45595.5781	  3694.8	  3895.9	 -3731.1	   217.3
-  45624.9688	  3023.8	  3212.5	 -3718.6	   217.2
-  45654.3750	  2511.2	  2658.0	 -3676.7	   217.2
-  45683.8047	  2084.2	  2208.0	 -3653.8	   217.1
-  45713.2500	  1772.6	  1843.1	 -3600.4	   217.0
-  45742.7148	  1514.4	  1547.1	 -3562.6	   217.0
-  45772.1992	  1275.8	  1307.0	 -3561.2	   216.9
-  45801.6992	  1128.4	  1112.3	 -3513.9	   216.8
-  45831.2227	  1000.8	   954.4	 -3483.6	   216.8
-  45860.7617	   882.9	   826.5	 -3473.5	   216.7
-  45890.3242	   778.1	   722.7	 -3474.6	   216.7
-  45919.9023	   709.7	   638.6	 -3458.9	   216.6
-  45949.5000	   649.7	   570.5	 -3450.8	   216.5
-  45979.1172	   592.6	   515.3	 -3452.6	   216.5
-  46008.7539	   549.1	   470.5	 -3451.4	   216.4
-  46038.4062	   507.8	   434.3	 -3456.4	   216.4
-  46068.0820	   476.2	   404.9	 -3458.6	   216.3
-  46097.7734	   457.4	   381.1	 -3453.7	   216.2
-  46127.4883	   437.7	   361.8	 -3454.1	   216.2
-  46157.2188	   408.6	   346.2	 -3467.5	   216.1
-  46186.9688	   388.1	   333.6	 -3475.4	   216.0
-  46216.7383	   371.5	   323.3	 -3481.7	   216.0
-  46246.5273	   367.5	   315.0	 -3477.4	   215.9
-  46276.3359	   358.7	   308.3	 -3479.5	   215.9
-  46306.1641	   346.0	   302.8	 -3486.8	   215.8
-  46336.0117	   334.4	   298.4	 -3493.9	   215.7
-  46365.8789	   318.9	   294.8	 -3505.8	   215.7
-  46395.7617	   321.9	   291.9	 -3499.9	   215.6
-  46425.6680	   323.1	   289.5	 -3496.3	   215.5
-  46455.5938	   320.7	   287.6	 -3496.8	   215.5
-  46485.5352	   303.6	   286.0	 -3512.3	   215.4
-  46515.4961	   308.7	   284.7	 -3506.0	   215.4
-  46545.4805	   294.4	   283.7	 -3519.2	   215.3
-  46575.4805	   294.3	   282.8	 -3518.5	   215.2
-  46605.5000	   287.7	   282.1	 -3524.3	   215.2
-  46635.5391	   295.6	   281.5	 -3515.9	   215.1
-  46665.6016	   284.0	   281.0	 -3527.0	   215.1
-  46695.6797	   299.1	   280.6	 -3511.4	   215.0
-  46725.7773	   288.7	   280.3	 -3521.5	   214.9
-  46755.8945	   279.8	   280.0	 -3530.1	   214.9
-  46786.0312	   271.7	   279.8	 -3538.1	   214.8
-  46816.1875	   272.5	   279.6	 -3537.1	   214.7
-  46846.3633	   282.8	   279.4	 -3526.6	   214.7
-  46876.5586	   291.8	   279.2	 -3517.4	   214.6
-  46906.7734	   285.6	   279.1	 -3523.4	   214.5
-  46937.0039	   267.2	   279.0	 -3541.7	   214.5
-  46967.2578	   266.0	   278.8	 -3542.8	   214.4
-  46997.5312	   272.7	   278.7	 -3536.0	   214.4
-  47027.8242	   267.3	   278.7	 -3541.3	   214.3
-  47058.1367	   275.4	   278.6	 -3533.1	   214.2
-  47088.4688	   277.4	   278.5	 -3531.0	   214.2
-  47118.8203	   270.2	   278.4	 -3538.2	   214.1
-  47149.1914	   259.2	   278.3	 -3549.1	   214.0
-  47179.5820	   276.6	   278.2	 -3531.6	   214.0
-  47209.9883	   271.3	   278.2	 -3536.9	   213.9
-  47240.4180	   258.8	   278.1	 -3549.3	   213.9
-  47270.8672	   267.1	   278.1	 -3540.9	   213.8
-  47301.3359	   269.1	   278.1	 -3538.9	   213.7
-  47331.8242	   273.6	   278.3	 -3534.7	   213.7
-  47362.3320	   280.2	   279.2	 -3529.0	   213.6
-  47392.8594	   280.9	   282.3	 -3531.4	   213.5
-  47423.4102	   288.2	   292.5	 -3534.3	   213.5
-  47453.9766	   319.6	   325.8	 -3536.2	   213.4
-  47484.5625	   439.3	   434.2	 -3524.8	   213.3
-  47515.1680	   835.1	   786.9	 -3481.8	   213.3
-  47545.7930	  2003.2	  1900.9	 -3427.7	   213.2
-  47576.4414	  4502.9	  4425.1	 -3452.1	   213.2
-  47607.1055	  6506.0	  6268.5	 -3292.5	   213.1
-  47637.7930	  6172.4	  5710.6	 -3068.1	   213.0
-  47668.4961	  4946.7	  4678.1	 -3261.4	   213.0
-  47699.2227	  3958.4	  3820.4	 -3391.9	   212.9
-  47729.9648	  3175.5	  3129.3	 -3483.7	   212.8
-  47760.7305	  2560.9	  2572.6	 -3541.7	   212.8
-  47791.5156	  2089.8	  2124.3	 -3564.5	   212.7
-  47822.3203	  1707.8	  1763.3	 -3585.4	   212.6
-  47853.1445	  1425.6	  1472.6	 -3577.0	   212.6
-  47883.9883	  1211.6	  1238.7	 -3557.0	   212.5
-  47914.8516	  1025.3	  1050.4	 -3555.0	   212.5
-  47945.7344	   888.8	   898.8	 -3539.9	   212.4
-  47976.6406	   785.7	   776.8	 -3521.1	   212.3
-  48007.5625	   681.8	   678.7	 -3526.9	   212.3
-  48038.5039	   600.6	   599.7	 -3529.1	   212.2
-  48069.4688	   546.6	   536.2	 -3519.6	   212.1
-  48100.4531	   515.2	   485.1	 -3499.8	   212.1
-  48131.4570	   471.4	   444.0	 -3502.6	   212.0
-  48162.4805	   446.7	   410.9	 -3494.2	   211.9
-  48193.5234	   418.3	   384.4	 -3496.1	   211.9
-  48224.5859	   400.1	   363.0	 -3492.8	   211.8
-  48255.6680	   385.7	   345.8	 -3490.1	   211.7
-  48286.7734	   367.2	   332.0	 -3494.7	   211.7
-  48317.8945	   340.5	   320.8	 -3510.3	   211.6
-  48349.0391	   337.3	   311.9	 -3504.6	   211.5
-  48380.2031	   324.3	   304.7	 -3510.4	   211.5
-  48411.3867	   314.0	   298.9	 -3514.8	   211.4
-  48442.5898	   305.6	   294.2	 -3518.6	   211.4
-  48473.8164	   312.0	   290.5	 -3508.5	   211.3
-  48505.0586	   302.3	   287.5	 -3515.1	   211.2
-  48536.3242	   299.8	   285.0	 -3515.2	   211.2
-  48567.6055	   300.0	   283.0	 -3513.0	   211.1
-  48598.9102	   295.0	   281.4	 -3516.4	   211.0
-  48630.2383	   291.0	   280.2	 -3519.1	   211.0
-  48661.5820	   288.4	   279.1	 -3520.7	   210.9
-  48692.9453	   282.4	   278.2	 -3525.8	   210.8
-  48724.3320	   277.2	   277.5	 -3530.3	   210.8
-  48755.7383	   280.2	   277.0	 -3526.7	   210.7
-  48787.1641	   282.7	   276.5	 -3523.8	   210.6
-  48818.6094	   276.8	   276.1	 -3529.2	   210.6
-  48850.0742	   280.5	   275.8	 -3525.2	   210.5
-  48881.5625	   258.9	   275.5	 -3546.6	   210.4
-  48913.0703	   261.4	   275.3	 -3543.8	   210.4
-  48944.5938	   258.6	   275.1	 -3546.4	   210.3
-  48976.1445	   260.3	   274.9	 -3544.5	   210.2
-  49007.7109	   260.0	   274.7	 -3544.7	   210.2
-  49039.3008	   265.4	   274.6	 -3539.2	   210.1
-  49070.9062	   264.6	   274.5	 -3539.8	   210.0
-  49102.5352	   276.1	   274.4	 -3528.2	   210.0
-  49134.1875	   259.1	   274.3	 -3545.2	   209.9
-  49165.8555	   255.3	   274.2	 -3548.8	   209.9
-  49197.5469	   263.1	   274.1	 -3541.0	   209.8
-  49229.2578	   265.1	   274.0	 -3538.9	   209.7
-  49260.9883	   262.5	   273.9	 -3541.3	   209.7
-  49292.7383	   261.8	   273.9	 -3542.0	   209.6
-  49324.5117	   260.8	   273.8	 -3543.0	   209.5
-  49356.3008	   268.5	   273.7	 -3535.2	   209.5
-  49388.1172	   257.6	   273.6	 -3546.0	   209.4
-  49419.9492	   266.5	   273.6	 -3537.0	   209.3
-  49451.8008	   261.6	   273.5	 -3541.8	   209.3
-  49483.6758	   263.1	   273.4	 -3540.3	   209.2
-  49515.5703	   251.0	   273.4	 -3552.3	   209.1
-  49547.4883	   246.3	   273.3	 -3556.9	   209.1
-  49579.4219	   258.0	   273.2	 -3545.1	   209.0
-  49611.3789	   254.1	   273.1	 -3549.0	   208.9
-  49643.3555	   251.1	   273.1	 -3551.9	   208.9
-  49675.3555	   244.6	   273.0	 -3558.4	   208.8
-  49707.3750	   259.6	   272.9	 -3543.3	   208.7
-  49739.4141	   259.2	   272.9	 -3543.7	   208.7
-  49771.4727	   257.1	   272.8	 -3545.6	   208.6
-  49803.5547	   262.5	   272.8	 -3540.2	   208.5
-  49835.6523	   256.9	   272.7	 -3545.8	   208.4
-  49867.7773	   258.2	   272.7	 -3544.5	   208.3
-  49899.9180	   257.5	   272.9	 -3545.3	   208.1
-  49932.0820	   262.4	   273.8	 -3541.4	   207.9
-  49964.2656	   274.3	   277.4	 -3533.0	   207.8
-  49996.4688	   288.3	   289.0	 -3530.7	   207.6
-  50028.6953	   320.2	   326.5	 -3536.4	   207.4
-  50060.9414	   444.8	   447.3	 -3532.5	   207.3
-  50093.2109	   863.9	   833.5	 -3499.6	   207.1
-  50125.4961	  2010.9	  1975.1	 -3494.1	   207.0
-  50157.8047	  4072.9	  4029.2	 -3486.3	   206.8
-  50190.1367	  5144.6	  4962.2	 -3347.6	   206.6
-  50222.4844	  4562.8	  4320.8	 -3288.0	   206.5
-  50254.8555	  3614.5	  3512.2	 -3427.7	   206.3
-  50287.2500	  2827.9	  2855.3	 -3557.3	   206.1
-  50319.6602	  2250.3	  2331.1	 -3610.7	   206.0
-  50352.0938	  1843.5	  1912.9	 -3599.4	   205.8
-  50384.5508	  1503.9	  1579.3	 -3605.3	   205.6
-  50417.0234	  1233.8	  1313.2	 -3609.3	   205.5
-  50449.5234	  1043.1	  1101.0	 -3587.8	   205.3
-  50482.0391	   874.1	   931.8	 -3587.6	   205.1
-  50514.5781	   769.4	   796.8	 -3557.4	   205.0
-  50547.1367	   677.6	   689.3	 -3541.6	   204.8
-  50579.7188	   605.7	   603.5	 -3527.8	   204.6
-  50612.3203	   529.3	   535.1	 -3535.8	   204.4
-  50644.9414	   478.1	   480.6	 -3532.5	   204.3
-  50677.5859	   439.7	   437.2	 -3527.5	   204.1
-  50710.2500	   420.4	   402.6	 -3512.1	   203.9
-  50742.9336	   388.1	   374.9	 -3516.7	   203.8
-  50775.6406	   371.3	   352.9	 -3511.5	   203.6
-  50808.3672	   356.3	   335.3	 -3509.0	   203.4
-  50841.1172	   340.1	   321.3	 -3511.1	   203.3
-  50873.8867	   317.0	   310.1	 -3523.1	   203.1
-  50906.6797	   310.5	   301.2	 -3520.6	   202.9
-  50939.4922	   296.3	   294.1	 -3527.7	   202.8
-  50972.3242	   288.2	   288.3	 -3530.1	   202.6
-  51005.1797	   300.4	   283.8	 -3513.3	   202.4
-  51038.0547	   287.1	   280.1	 -3522.9	   202.3
-  51070.9492	   281.1	   277.1	 -3526.0	   202.1
-  51103.8672	   290.2	   274.7	 -3514.5	   201.9
-  51136.8086	   288.8	   272.8	 -3514.0	   201.8
-  51169.7695	   282.9	   271.2	 -3518.2	   201.6
-  51202.7500	   273.9	   269.9	 -3526.0	   201.4
-  51235.7539	   270.4	   268.9	 -3528.4	   201.2
-  51268.7773	   271.8	   268.0	 -3526.1	   201.1
-  51301.8242	   267.3	   267.3	 -3529.9	   200.9
-  51334.8906	   259.6	   266.7	 -3537.0	   200.7
-  51367.9766	   270.8	   266.1	 -3525.3	   200.6
-  51401.0859	   263.9	   265.7	 -3531.8	   200.4
-  51434.2188	   258.2	   265.3	 -3537.0	   200.2
-  51467.3711	   256.0	   264.9	 -3538.9	   200.1
-  51500.5430	   272.2	   264.6	 -3522.4	   199.9
-  51533.7383	   267.9	   264.4	 -3526.4	   199.7
-  51566.9570	   261.0	   264.1	 -3533.0	   199.5
-  51600.1914	   266.6	   263.9	 -3527.2	   199.4
-  51633.4531	   277.5	   263.6	 -3516.1	   199.2
-  51666.7344	   260.5	   263.4	 -3532.9	   199.0
-  51700.0352	   269.0	   263.2	 -3524.1	   198.9
-  51733.3594	   264.6	   263.0	 -3528.3	   198.7
-  51766.7031	   265.4	   262.8	 -3527.3	   198.5
-  51800.0703	   262.1	   262.6	 -3530.5	   198.3
-  51833.4570	   258.2	   262.4	 -3534.2	   198.2
-  51866.8672	   259.0	   262.3	 -3533.2	   198.0
-  51900.2969	   271.0	   262.1	 -3521.1	   197.8
-  51933.7500	   249.7	   261.9	 -3542.2	   197.7
-  51967.2266	   256.2	   261.7	 -3535.5	   197.5
-  52000.7188	   248.9	   261.5	 -3542.6	   197.3
-  52034.2383	   261.7	   261.4	 -3529.7	   197.1
-  52067.7773	   258.5	   261.2	 -3532.7	   197.0
-  52101.3359	   256.5	   261.0	 -3534.5	   196.8
-  52134.9180	   259.1	   260.8	 -3531.7	   196.6
-  52168.5234	   260.6	   260.7	 -3530.0	   196.4
-  52202.1484	   252.3	   260.5	 -3538.1	   196.3
-  52235.7969	   260.8	   260.3	 -3529.5	   196.1
-  52269.4648	   253.5	   260.2	 -3536.7	   195.9
-  52303.1562	   248.6	   260.0	 -3541.4	   195.8
-  52336.8672	   253.7	   259.8	 -3536.0	   195.6
-  52370.6016	   244.0	   259.6	 -3545.6	   195.4
-  52404.3555	   250.6	   259.5	 -3538.8	   195.2
-  52438.1367	   246.3	   259.3	 -3542.9	   195.1
-  52471.9336	   256.4	   259.1	 -3532.6	   194.9
-  52505.7539	   258.6	   258.9	 -3530.3	   194.7
-  52539.5977	   250.6	   258.8	 -3538.1	   194.5
-  52573.4609	   266.2	   258.6	 -3522.3	   194.4
-  52607.3477	   260.4	   258.4	 -3528.0	   194.2
-  52641.2578	   264.4	   258.2	 -3523.8	   194.0
-  52675.1875	   265.5	   258.1	 -3522.5	   193.8
-  52709.1406	   261.3	   257.9	 -3526.6	   193.7
-  52743.1133	   252.6	   257.7	 -3535.0	   193.5
-  52777.1094	   256.2	   257.5	 -3531.3	   193.3
-  52811.1289	   249.8	   257.4	 -3537.5	   193.1
-  52845.1680	   245.0	   257.2	 -3542.1	   193.0
-  52879.2266	   257.0	   257.1	 -3530.0	   192.8
-  52913.3125	   254.5	   257.1	 -3532.5	   192.7
-  52947.4180	   252.6	   257.5	 -3534.9	   192.7
-  52981.5430	   260.0	   258.8	 -3528.8	   192.7
-  53015.6953	   267.1	   263.0	 -3525.8	   192.7
-  53049.8672	   267.3	   275.9	 -3538.6	   192.7
-  53084.0586	   314.7	   316.6	 -3531.9	   192.8
-  53118.2734	   466.5	   444.5	 -3508.0	   192.8
-  53152.5117	   845.5	   832.0	 -3516.4	   192.8
-  53186.7734	  1705.1	  1700.3	 -3525.2	   192.8
-  53221.0547	  2523.2	  2480.2	 -3487.0	   192.8
-  53255.3594	  2477.5	  2394.6	 -3447.1	   192.9
-  53289.6836	  2056.8	  1977.9	 -3451.0	   192.9
-  53324.0312	  1636.1	  1614.2	 -3508.0	   192.9
-  53358.4023	  1313.8	  1326.6	 -3542.7	   192.9
-  53392.7930	  1075.0	  1099.8	 -3554.7	   192.9
-  53427.2109	   879.2	   921.0	 -3571.7	   193.0
-  53461.6445	   736.1	   780.1	 -3573.9	   193.0
-  53496.1055	   639.2	   669.0	 -3559.7	   193.0
-  53530.5859	   555.1	   581.5	 -3556.4	   193.0
-  53565.0898	   501.2	   512.6	 -3541.3	   193.0
-  53599.6133	   459.5	   458.3	 -3528.7	   193.1
-  53634.1641	   413.5	   415.5	 -3531.9	   193.1
-  53668.7344	   385.3	   381.8	 -3526.4	   193.1
-  53703.3242	   357.0	   355.3	 -3528.2	   193.1
-  53737.9414	   339.3	   334.4	 -3525.0	   193.1
-  53772.5781	   330.8	   318.0	 -3517.1	   193.1
-  53807.2383	   309.3	   305.1	 -3525.8	   193.2
-  53841.9180	   304.6	   294.9	 -3520.3	   193.2
-  53876.6211	   294.4	   286.9	 -3522.4	   193.2
-  53911.3477	   291.1	   280.6	 -3519.5	   193.2
-  53946.0977	   287.5	   275.7	 -3518.1	   193.2
-  53980.8672	   282.1	   271.8	 -3519.7	   193.3
-  54015.6641	   282.2	   268.8	 -3516.5	   193.3
-  54050.4805	   281.3	   266.4	 -3515.0	   193.3
-  54085.3164	   269.7	   264.5	 -3524.8	   193.3
-  54120.1797	   265.7	   263.0	 -3527.3	   193.3
-  54155.0625	   274.9	   261.9	 -3516.9	   193.4
-  54189.9688	   264.6	   261.0	 -3526.3	   193.4
-  54224.8945	   266.4	   260.3	 -3523.8	   193.4
-  54259.8477	   264.0	   259.7	 -3525.7	   193.4
-  54294.8203	   258.8	   259.3	 -3530.4	   193.4
-  54329.8164	   254.3	   259.0	 -3534.6	   193.5
-  54364.8359	   252.0	   258.7	 -3536.7	   193.5
-  54399.8750	   255.0	   258.5	 -3533.5	   193.5
-  54434.9414	   254.3	   258.4	 -3534.0	   193.5
-  54470.0273	   253.4	   258.2	 -3534.8	   193.5
-  54505.1328	   249.5	   258.2	 -3538.6	   193.6
-  54540.2656	   249.3	   258.1	 -3538.8	   193.6
-  54575.4219	   251.6	   258.1	 -3536.4	   193.6
-  54610.5977	   258.9	   258.0	 -3529.1	   193.6
-  54645.7969	   260.3	   258.0	 -3527.6	   193.6
-  54681.0195	   262.5	   258.0	 -3525.4	   193.7
-  54716.2656	   259.5	   258.0	 -3528.4	   193.7
-  54751.5312	   249.3	   258.0	 -3538.6	   193.7
-  54786.8203	   257.1	   258.0	 -3530.9	   193.7
-  54822.1367	   258.2	   258.0	 -3529.8	   193.7
-  54857.4727	   262.3	   258.0	 -3525.7	   193.8
-  54892.8281	   255.2	   258.0	 -3532.8	   193.8
-  54928.2109	   248.0	   258.0	 -3540.0	   193.8
-  54963.6133	   257.2	   258.1	 -3530.8	   193.8
-  54999.0430	   251.5	   258.1	 -3536.5	   193.8
-  55034.4922	   257.2	   258.1	 -3530.8	   193.9
-  55069.9648	   249.5	   258.1	 -3538.6	   193.9
-  55105.4609	   250.6	   258.1	 -3537.5	   193.9
-  55140.9805	   255.4	   258.1	 -3532.7	   193.9
-  55176.5195	   257.0	   258.2	 -3531.1	   193.9
-  55212.0859	   251.0	   258.2	 -3537.1	   194.0
-  55247.6719	   259.1	   258.2	 -3529.1	   194.0
-  55283.2812	   263.9	   258.2	 -3524.3	   194.0
-  55318.9141	   255.5	   258.2	 -3532.7	   194.0
-  55354.5703	   254.4	   258.3	 -3533.8	   194.0
-  55390.2500	   258.1	   258.3	 -3530.1	   194.1
-  55425.9531	   254.3	   258.3	 -3534.0	   194.1
-  55461.6758	   248.3	   258.3	 -3540.0	   194.1
-  55497.4258	   252.0	   258.3	 -3536.3	   194.1
-  55533.1953	   250.0	   258.4	 -3538.3	   194.1
-  55568.9922	   244.1	   258.4	 -3544.3	   194.2
-  55604.8086	   246.8	   258.4	 -3541.6	   194.2
-  55640.6484	   249.5	   258.4	 -3538.9	   194.2
-  55676.5117	   242.3	   258.4	 -3546.1	   194.2
-  55712.3984	   250.6	   258.5	 -3537.8	   194.2
-  55748.3086	   253.9	   258.5	 -3534.5	   194.3
-  55784.2422	   270.3	   258.5	 -3518.1	   194.3
-  55820.1953	   267.1	   258.5	 -3521.3	   194.3
-  55856.1758	   265.3	   258.5	 -3523.2	   194.3
-  55892.1797	   255.2	   258.6	 -3533.4	   194.3
-  55928.2031	   258.9	   258.6	 -3529.7	   194.4
-  55964.2539	   250.8	   258.6	 -3537.7	   194.4
-  56000.3242	   253.8	   258.6	 -3534.8	   194.4
-  56036.4180	   250.8	   258.6	 -3537.8	   194.4
-  56072.5391	   254.8	   258.7	 -3533.8	   194.4
-  56108.6797	   255.0	   258.7	 -3533.7	   194.5
-  56144.8438	   251.5	   258.7	 -3537.2	   194.5
-  56181.0352	   242.4	   258.7	 -3546.2	   194.5
-  56217.2461	   248.9	   258.7	 -3539.8	   194.5
-  56253.4805	   264.4	   258.8	 -3524.3	   194.5
-  56289.7383	   255.9	   258.8	 -3532.9	   194.6
-  56326.0195	   262.5	   258.8	 -3526.3	   194.6
-  56362.3242	   254.3	   258.8	 -3534.5	   194.6
-  56398.6562	   254.3	   258.9	 -3534.5	   194.6
-  56435.0078	   257.5	   258.9	 -3531.4	   194.6
-  56471.3828	   250.5	   258.9	 -3538.4	   194.7
-  56507.7812	   265.1	   259.0	 -3523.8	   194.7
-  56544.2031	   258.2	   259.1	 -3530.9	   194.7
-  56580.6484	   258.0	   259.5	 -3531.5	   194.7
-  56617.1172	   279.9	   260.6	 -3510.6	   194.8
-  56653.6094	   309.5	   263.9	 -3484.3	   194.8
-  56690.1289	   395.0	   274.2	 -3409.2	   194.8
-  56726.6680	   531.0	   305.8	 -3304.8	   194.8
-  56763.2305	   670.3	   402.8	 -3262.5	   194.8
-  56799.8164	   913.2	   698.5	 -3315.2	   194.9
-  56836.4297	  1628.0	  1495.8	 -3397.8	   194.9
-  56873.0625	  2895.9	  2784.8	 -3418.9	   194.9
-  56909.7188	  3426.2	  3398.7	 -3502.5	   194.9
-  56946.4023	  3044.7	  2996.0	 -3481.3	   194.9
-  56983.1055	  2408.8	  2407.5	 -3528.6	   195.0
-  57019.8359	  1894.2	  1928.4	 -3564.1	   195.0
-  57056.5898	  1483.8	  1555.6	 -3601.7	   195.0
-  57093.3633	  1195.6	  1265.9	 -3600.3	   195.0
-  57130.1641	   997.2	  1040.8	 -3573.6	   195.0
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-  35471.2617	        	        	        	        	       0	(  4  4  2)	  0  1 :  1
-  35471.2617	        	        	        	        	       0	(  6  0  0)	  0  1 :  1
-  36499.9375	        	        	        	        	       0	(  3  5  0)	  0  1 :  1
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-  36499.9375	        	        	        	        	       0	(  5  3  0)	  0  1 :  1
-  37623.5938	        	        	        	        	       0	(  4  4  0)	  0  1 :  1
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-  41740.7148	        	        	        	        	       0	(  4  3  1)	  0  1 :  1
-  41740.7148	        	        	        	        	       0	(  5  1  0)	  0  1 :  1
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-  86895.3828	        	        	        	        	       0	(  2  1  1)	  0  1 :  1

From fb1e5aeb703d4a4dbfacb24b34d7a2bd9b6837a5 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 15:56:45 +0200
Subject: [PATCH 20/41] Rework remaining verification notebooks to canonical
 structure

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 .../pd-neut-cwl_pv-asym_empir_pbso4.ipynb     | 348 ++++++++----------
 .../pd-neut-cwl_pv-asym_empir_pbso4.py        | 243 ++++++------
 .../verification/pd-neut-tof_jvd_ncaf.ipynb   | 336 +++++++----------
 .../docs/verification/pd-neut-tof_jvd_ncaf.py | 214 +++++------
 .../verification/sg-neut-cwl_pr2nio4.ipynb    | 219 +++--------
 docs/docs/verification/sg-neut-cwl_pr2nio4.py | 124 ++-----
 6 files changed, 583 insertions(+), 901 deletions(-)

diff --git a/docs/docs/verification/pd-neut-cwl_pv-asym_empir_pbso4.ipynb b/docs/docs/verification/pd-neut-cwl_pv-asym_empir_pbso4.ipynb
index 169f920e9..777e600e0 100644
--- a/docs/docs/verification/pd-neut-cwl_pv-asym_empir_pbso4.ipynb
+++ b/docs/docs/verification/pd-neut-cwl_pv-asym_empir_pbso4.ipynb
@@ -24,18 +24,7 @@
    "id": "1",
    "metadata": {},
    "source": [
-    "# PbSO₄ — neutron powder, constant wavelength, pseudo-Voigt with empirical asymmetry\n",
-    "\n",
-    "This page calculates the **same** PbSO₄ diffraction pattern with each\n",
-    "EasyDiffraction engine (`cryspy`, `crysfml`) and compares both against a\n",
-    "**FullProf** reference profile — all on identical input parameters and\n",
-    "**without any fitting**.\n",
-    "\n",
-    "The peak shape here is a **pseudo-Voigt with empirical (FullProf-style)\n",
-    "axial-divergence asymmetry**; a companion page repeats the comparison\n",
-    "with a plain pseudo-Voigt. Both engines agree with each other but\n",
-    "differ from FullProf on the empirical asymmetry, so that difference is\n",
-    "investigated by refinement below."
+    "# PbSO₄ — neutron powder, constant wavelength, empirical asymmetry"
    ]
   },
   {
@@ -55,28 +44,6 @@
    "cell_type": "markdown",
    "id": "3",
    "metadata": {},
-   "source": [
-    "## Load the FullProf reference\n",
-    "\n",
-    "The reference profile provides both the x-grid the engines calculate on\n",
-    "and the reference curve `calc_fullprof`."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "4",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "reference_dir = verify.bundled_reference_dir() / 'pd-neut-cwl_pv-asym_empir_pbso4'\n",
-    "x, calc_fullprof = verify.load_fullprof_profile(str(reference_dir / 'pbso41.sub'))"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "5",
-   "metadata": {},
    "source": [
     "## Build the project"
    ]
@@ -84,7 +51,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "6",
+   "id": "4",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -93,7 +60,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7",
+   "id": "5",
    "metadata": {},
    "source": [
     "## Define the structure"
@@ -102,7 +69,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "8",
+   "id": "6",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -111,8 +78,8 @@
     "structure.space_group.name_h_m = 'P n m a'  # FullProf Space group symbol\n",
     "\n",
     "structure.cell.length_a = 8.479506  # FullProf a\n",
-    "structure.cell.length_b = 5.397254  # FullProf b\n",
-    "structure.cell.length_c = 6.958971  # FullProf c\n",
+    "structure.cell.length_b = 5.397256  # FullProf b\n",
+    "structure.cell.length_c = 6.958973  # FullProf c\n",
     "\n",
     "structure.atom_sites.create(\n",
     "    label='Pb',  # FullProf Atom\n",
@@ -121,16 +88,16 @@
     "    fract_y=0.25,  # FullProf Y\n",
     "    fract_z=0.16705,  # FullProf Z\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=1.38991,  # FullProf Biso\n",
+    "    adp_iso=1.39017,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='S',  # FullProf Atom\n",
     "    type_symbol='S',  # FullProf Typ\n",
     "    fract_x=0.06549,  # FullProf X\n",
     "    fract_y=0.25,  # FullProf Y\n",
-    "    fract_z=0.68374,  # FullProf Z\n",
+    "    fract_z=0.68373,  # FullProf Z\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=0.39275,  # FullProf Biso\n",
+    "    adp_iso=0.39270,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='O1',  # FullProf Atom\n",
@@ -139,16 +106,16 @@
     "    fract_y=0.25,  # FullProf Y\n",
     "    fract_z=0.59544,  # FullProf Z\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=1.99239,  # FullProf Biso\n",
+    "    adp_iso=1.99307,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='O2',  # FullProf Atom\n",
     "    type_symbol='O',  # FullProf Typ\n",
     "    fract_x=0.19355,  # FullProf X\n",
     "    fract_y=0.25,  # FullProf Y\n",
-    "    fract_z=0.54330,  # FullProf Z\n",
+    "    fract_z=0.54331,  # FullProf Z\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=1.47741,  # FullProf Biso\n",
+    "    adp_iso=1.47771,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='O3',  # FullProf Atom\n",
@@ -157,12 +124,51 @@
     "    fract_y=0.02727,  # FullProf Y\n",
     "    fract_z=0.80869,  # FullProf Z\n",
     "    adp_type='Biso',  # FullProf Biso\n",
-    "    adp_iso=1.30069,  # FullProf Biso\n",
+    "    adp_iso=1.30007,  # FullProf Biso\n",
     ")\n",
     "\n",
     "project.structures.add(structure)"
    ]
   },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "## Load the FullProf reference"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "FULLPROF_PROJECT_DIR = 'pd-neut-cwl_pv-asym_empir_pbso4'\n",
+    "FULLPROF_PRF_FILE = 'pbso4.prf'\n",
+    "FULLPROF_BAC_FILE = 'pbso4.bac'\n",
+    "FULLPROF_ZERO = -0.08424  # FullProf Zero\n",
+    "FULLPROF_SCALE = 1.463815  # FullProf Scale\n",
+    "FULLPROF_WAVELENGTH = 1.912000  # FullProf Lambda\n",
+    "FULLPROF_U = 0.153402  # FullProf U\n",
+    "FULLPROF_V = -0.453103  # FullProf V\n",
+    "FULLPROF_W = 0.419409  # FullProf W\n",
+    "FULLPROF_X = 0.0  # FullProf X\n",
+    "FULLPROF_Y = 0.086818  # FullProf Y\n",
+    "FULLPROF_ASY_1 = 0.29465  # FullProf Asy1\n",
+    "FULLPROF_ASY_2 = 0.02261  # FullProf Asy2\n",
+    "FULLPROF_ASY_3 = -0.10961  # FullProf Asy3\n",
+    "FULLPROF_ASY_4 = 0.04941  # FullProf Asy4\n",
+    "\n",
+    "x, calc_fullprof = verify.load_fullprof_calc_profile(\n",
+    "    FULLPROF_PROJECT_DIR,\n",
+    "    FULLPROF_PRF_FILE,\n",
+    "    FULLPROF_BAC_FILE,\n",
+    "    FULLPROF_ZERO,\n",
+    ")"
+   ]
+  },
   {
    "cell_type": "markdown",
    "id": "9",
@@ -187,20 +193,19 @@
     ")\n",
     "verify.set_reference_as_measured(experiment, x, calc_fullprof)\n",
     "\n",
-    "experiment.linked_phases.create(id='pbso4', scale=1.463902)  # FullProf Scale\n",
+    "experiment.linked_phases.create(id='pbso4', scale=FULLPROF_SCALE)\n",
     "\n",
-    "experiment.instrument.setup_wavelength = 1.912  # FullProf Lambda\n",
+    "experiment.instrument.setup_wavelength = FULLPROF_WAVELENGTH\n",
+    "experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO\n",
     "\n",
-    "experiment.peak.type = 'pseudo-voigt + empirical asymmetry'\n",
-    "experiment.peak.broad_gauss_u = 0.153291  # FullProf U\n",
-    "experiment.peak.broad_gauss_v = -0.453033  # FullProf V\n",
-    "experiment.peak.broad_gauss_w = 0.419309  # FullProf W\n",
-    "experiment.peak.broad_lorentz_x = 0.0  # FullProf X\n",
-    "experiment.peak.broad_lorentz_y = 0.086844  # FullProf Y\n",
-    "experiment.peak.asym_empir_1 = 0.29584  # FullProf Asy1\n",
-    "experiment.peak.asym_empir_2 = 0.02295  # FullProf Asy2\n",
-    "experiment.peak.asym_empir_3 = -0.11217  # FullProf Asy3\n",
-    "experiment.peak.asym_empir_4 = 0.04856  # FullProf Asy4\n",
+    "experiment.peak.type = 'pseudo-voigt'\n",
+    "experiment.peak.broad_gauss_u = FULLPROF_U\n",
+    "experiment.peak.broad_gauss_v = FULLPROF_V\n",
+    "experiment.peak.broad_gauss_w = FULLPROF_W\n",
+    "experiment.peak.broad_lorentz_x = FULLPROF_X\n",
+    "experiment.peak.broad_lorentz_y = FULLPROF_Y\n",
+    "# The empirical-asymmetry coefficients (cryspy only) are set in the\n",
+    "# cryspy section below; crysfml has no empirical-asymmetry model.\n",
     "\n",
     "project.experiments.add(experiment)"
    ]
@@ -210,7 +215,7 @@
    "id": "11",
    "metadata": {},
    "source": [
-    "## Calculate the pattern with each engine"
+    "## ed-cryspy VS FullProf"
    ]
   },
   {
@@ -220,8 +225,28 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')\n",
-    "calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')"
+    "experiment.peak.type = 'pseudo-voigt + empirical asymmetry'\n",
+    "experiment.peak.broad_gauss_u = FULLPROF_U\n",
+    "experiment.peak.broad_gauss_v = FULLPROF_V\n",
+    "experiment.peak.broad_gauss_w = FULLPROF_W\n",
+    "experiment.peak.broad_lorentz_x = FULLPROF_X\n",
+    "experiment.peak.broad_lorentz_y = FULLPROF_Y\n",
+    "experiment.peak.asym_empir_1 = FULLPROF_ASY_1\n",
+    "experiment.peak.asym_empir_2 = FULLPROF_ASY_2\n",
+    "experiment.peak.asym_empir_3 = FULLPROF_ASY_3\n",
+    "experiment.peak.asym_empir_4 = FULLPROF_ASY_4\n",
+    "\n",
+    "experiment.calculator.type = 'cryspy'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_cryspy = experiment.data.intensity_calc\n",
+    "\n",
+    "project.display.pattern_comparison(\n",
+    "    'pbso4',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_cryspy,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-cryspy',\n",
+    ")"
    ]
   },
   {
@@ -229,11 +254,7 @@
    "id": "13",
    "metadata": {},
    "source": [
-    "## Compare each engine against FullProf\n",
-    "\n",
-    "The FullProf reference is drawn as a solid blue line and the engine as\n",
-    "a red dashed line, with the residual below and closeness metrics in the\n",
-    "top-left corner."
+    "## Fit ed-cryspy to FullProf"
    ]
   },
   {
@@ -243,194 +264,125 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "# cryspy and FullProf parameterise the empirical asymmetry differently, so\n",
+    "# the FullProf coefficients do not transfer 1-to-1. Freeing cryspy's own\n",
+    "# coefficients recovers the FullProf profile, confirming the structure and\n",
+    "# the symmetric profile are correct.\n",
+    "experiment.calculator.type = 'cryspy'\n",
+    "experiment.linked_phases['pbso4'].scale.free = True\n",
+    "experiment.peak.asym_empir_1.free = True\n",
+    "experiment.peak.asym_empir_2.free = True\n",
+    "experiment.peak.asym_empir_3.free = True\n",
+    "experiment.peak.asym_empir_4.free = True\n",
+    "\n",
+    "project.analysis.fit()\n",
+    "project.display.fit.results()\n",
+    "\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_cryspy_refined = experiment.data.intensity_calc\n",
+    "\n",
     "project.display.pattern_comparison(\n",
     "    'pbso4',\n",
     "    reference=calc_fullprof,\n",
-    "    candidate=calc_ed_cryspy,\n",
+    "    candidate=calc_ed_cryspy_refined,\n",
     "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
+    "    candidate_label='ed-cryspy (refined)',\n",
     ")"
    ]
   },
+  {
+   "cell_type": "markdown",
+   "id": "15",
+   "metadata": {},
+   "source": [
+    "## ed-crysfml VS FullProf"
+   ]
+  },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "15",
+   "id": "16",
    "metadata": {},
    "outputs": [],
    "source": [
+    "experiment.calculator.type = 'crysfml'\n",
+    "experiment.peak.type = 'pseudo-voigt'\n",
+    "experiment.linked_phases['pbso4'].scale = FULLPROF_SCALE\n",
+    "experiment.linked_phases['pbso4'].scale.free = False\n",
+    "experiment.peak.broad_gauss_u = FULLPROF_U\n",
+    "experiment.peak.broad_gauss_v = FULLPROF_V\n",
+    "experiment.peak.broad_gauss_w = FULLPROF_W\n",
+    "experiment.peak.broad_lorentz_x = FULLPROF_X\n",
+    "experiment.peak.broad_lorentz_y = FULLPROF_Y\n",
+    "\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml = experiment.data.intensity_calc\n",
+    "\n",
     "project.display.pattern_comparison(\n",
     "    'pbso4',\n",
     "    reference=calc_fullprof,\n",
     "    candidate=calc_ed_crysfml,\n",
     "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (crysfml)',\n",
+    "    candidate_label='ed-crysfml',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "16",
+   "id": "17",
    "metadata": {},
    "source": [
-    "## Compare the two engines with each other"
+    "## Fit ed-crysfml to FullProf"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "17",
+   "id": "18",
    "metadata": {},
    "outputs": [],
    "source": [
+    "experiment.linked_phases['pbso4'].scale.free = True\n",
+    "experiment.instrument.calib_twotheta_offset.free = True\n",
+    "\n",
+    "project.analysis.fit()\n",
+    "project.display.fit.results()\n",
+    "\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml_refined = experiment.data.intensity_calc\n",
+    "\n",
     "project.display.pattern_comparison(\n",
     "    'pbso4',\n",
-    "    reference=calc_ed_crysfml,\n",
-    "    candidate=calc_ed_cryspy,\n",
-    "    reference_label='EasyDiffraction (crysfml)',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_crysfml_refined,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-crysfml (refined)',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "18",
+   "id": "19",
    "metadata": {},
    "source": [
-    "## Agreement check\n",
-    "\n",
-    "A single table scores every pair against documented tolerances, with a\n",
-    "check/cross per metric; an out-of-tolerance value is shown in red. The\n",
-    "two engines agree closely with each other but both differ from FullProf\n",
-    "on the empirical asymmetry, so the check only reports here\n",
-    "(`raise_on_failure=False`) and the difference is investigated below."
+    "## Agreement check"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "19",
+   "id": "20",
    "metadata": {},
    "outputs": [],
    "source": [
     "verify.assert_patterns_agree(\n",
     "    [\n",
-    "        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),\n",
-    "        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),\n",
-    "        ('cryspy vs crysfml', calc_ed_cryspy, calc_ed_crysfml),\n",
+    "        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy_refined),\n",
+    "        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml_refined),\n",
     "    ],\n",
     "    raise_on_failure=False,\n",
     ")"
    ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "20",
-   "metadata": {},
-   "source": [
-    "## Investigate the discrepancy by refinement\n",
-    "\n",
-    "The two engines agree with each other but differ from FullProf only on\n",
-    "the **empirical axial-divergence asymmetry** — a peak-*profile*\n",
-    "parameter whose definition differs between codes, not a structural one.\n",
-    "Because the FullProf profile is already loaded as the measured data, we\n",
-    "can test that reading directly: refine **only** the four `asym_empir_*`\n",
-    "terms with the `cryspy` engine, keeping the structure and every other\n",
-    "parameter fixed, and check whether `cryspy` can reproduce the FullProf\n",
-    "curve — and how far the asymmetry terms have to move to do it."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "21",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "experiment.calculator.type = 'cryspy'\n",
-    "project.analysis.minimizer.type = 'lmfit'\n",
-    "\n",
-    "# Free only the disputed asymmetry terms; the structure stays fixed, so a\n",
-    "# good fit confirms the difference is a profile-parameter convention, not\n",
-    "# a structural disagreement.\n",
-    "experiment.peak.asym_empir_1.free = True\n",
-    "experiment.peak.asym_empir_2.free = True\n",
-    "experiment.peak.asym_empir_3.free = True\n",
-    "experiment.peak.asym_empir_4.free = True"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "22",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.analysis.fit()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "23",
-   "metadata": {},
-   "source": [
-    "## Goodness of fit and refined parameters\n",
-    "\n",
-    "The reference is a calculation-only profile with unit uncertainties, so\n",
-    "the absolute reduced χ² and R-factors are not normalised goodness-of-fit\n",
-    "values; the **scale-independent before/after closeness table** below is\n",
-    "the meaningful measure of the improvement. What matters here is the\n",
-    "refined asymmetry values and that the structure was never touched."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "24",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.display.fit.results()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "25",
-   "metadata": {},
-   "source": [
-    "## Refined cryspy vs FullProf\n",
-    "\n",
-    "The refined `cryspy` pattern overlaid on the FullProf reference, then a\n",
-    "before/after table of the closeness metrics."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "26",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "calc_ed_cryspy_refined = verify.calculate_pattern(project, experiment, 'cryspy')\n",
-    "\n",
-    "project.display.pattern_comparison(\n",
-    "    'pbso4',\n",
-    "    reference=calc_fullprof,\n",
-    "    candidate=calc_ed_cryspy_refined,\n",
-    "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (cryspy, refined)',\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "27",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "verify.report_refinement_closeness(calc_fullprof, calc_ed_cryspy, calc_ed_cryspy_refined)"
-   ]
   }
  ],
  "metadata": {
diff --git a/docs/docs/verification/pd-neut-cwl_pv-asym_empir_pbso4.py b/docs/docs/verification/pd-neut-cwl_pv-asym_empir_pbso4.py
index 7b64b5229..59d5ab09b 100644
--- a/docs/docs/verification/pd-neut-cwl_pv-asym_empir_pbso4.py
+++ b/docs/docs/verification/pd-neut-cwl_pv-asym_empir_pbso4.py
@@ -1,16 +1,5 @@
 # %% [markdown]
-# # PbSO₄ — neutron powder, constant wavelength, pseudo-Voigt with empirical asymmetry
-#
-# This page calculates the **same** PbSO₄ diffraction pattern with each
-# EasyDiffraction engine (`cryspy`, `crysfml`) and compares both against a
-# **FullProf** reference profile — all on identical input parameters and
-# **without any fitting**.
-#
-# The peak shape here is a **pseudo-Voigt with empirical (FullProf-style)
-# axial-divergence asymmetry**; a companion page repeats the comparison
-# with a plain pseudo-Voigt. Both engines agree with each other but
-# differ from FullProf on the empirical asymmetry, so that difference is
-# investigated by refinement below.
+# # PbSO₄ — neutron powder, constant wavelength, empirical asymmetry
 
 # %%
 import easydiffraction as ed
@@ -18,16 +7,6 @@
 from easydiffraction import StructureFactory
 from easydiffraction.analysis import verification as verify
 
-# %% [markdown]
-# ## Load the FullProf reference
-#
-# The reference profile provides both the x-grid the engines calculate on
-# and the reference curve `calc_fullprof`.
-
-# %%
-reference_dir = verify.bundled_reference_dir() / 'pd-neut-cwl_pv-asym_empir_pbso4'
-x, calc_fullprof = verify.load_fullprof_profile(str(reference_dir / 'pbso41.sub'))
-
 # %% [markdown]
 # ## Build the project
 
@@ -43,8 +22,8 @@
 structure.space_group.name_h_m = 'P n m a'  # FullProf Space group symbol
 
 structure.cell.length_a = 8.479506  # FullProf a
-structure.cell.length_b = 5.397254  # FullProf b
-structure.cell.length_c = 6.958971  # FullProf c
+structure.cell.length_b = 5.397256  # FullProf b
+structure.cell.length_c = 6.958973  # FullProf c
 
 structure.atom_sites.create(
     label='Pb',  # FullProf Atom
@@ -53,16 +32,16 @@
     fract_y=0.25,  # FullProf Y
     fract_z=0.16705,  # FullProf Z
     adp_type='Biso',  # FullProf Biso
-    adp_iso=1.38991,  # FullProf Biso
+    adp_iso=1.39017,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='S',  # FullProf Atom
     type_symbol='S',  # FullProf Typ
     fract_x=0.06549,  # FullProf X
     fract_y=0.25,  # FullProf Y
-    fract_z=0.68374,  # FullProf Z
+    fract_z=0.68373,  # FullProf Z
     adp_type='Biso',  # FullProf Biso
-    adp_iso=0.39275,  # FullProf Biso
+    adp_iso=0.39270,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='O1',  # FullProf Atom
@@ -71,16 +50,16 @@
     fract_y=0.25,  # FullProf Y
     fract_z=0.59544,  # FullProf Z
     adp_type='Biso',  # FullProf Biso
-    adp_iso=1.99239,  # FullProf Biso
+    adp_iso=1.99307,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='O2',  # FullProf Atom
     type_symbol='O',  # FullProf Typ
     fract_x=0.19355,  # FullProf X
     fract_y=0.25,  # FullProf Y
-    fract_z=0.54330,  # FullProf Z
+    fract_z=0.54331,  # FullProf Z
     adp_type='Biso',  # FullProf Biso
-    adp_iso=1.47741,  # FullProf Biso
+    adp_iso=1.47771,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='O3',  # FullProf Atom
@@ -89,11 +68,38 @@
     fract_y=0.02727,  # FullProf Y
     fract_z=0.80869,  # FullProf Z
     adp_type='Biso',  # FullProf Biso
-    adp_iso=1.30069,  # FullProf Biso
+    adp_iso=1.30007,  # FullProf Biso
 )
 
 project.structures.add(structure)
 
+# %% [markdown]
+# ## Load the FullProf reference
+
+# %%
+FULLPROF_PROJECT_DIR = 'pd-neut-cwl_pv-asym_empir_pbso4'
+FULLPROF_PRF_FILE = 'pbso4.prf'
+FULLPROF_BAC_FILE = 'pbso4.bac'
+FULLPROF_ZERO = -0.08424  # FullProf Zero
+FULLPROF_SCALE = 1.463815  # FullProf Scale
+FULLPROF_WAVELENGTH = 1.912000  # FullProf Lambda
+FULLPROF_U = 0.153402  # FullProf U
+FULLPROF_V = -0.453103  # FullProf V
+FULLPROF_W = 0.419409  # FullProf W
+FULLPROF_X = 0.0  # FullProf X
+FULLPROF_Y = 0.086818  # FullProf Y
+FULLPROF_ASY_1 = 0.29465  # FullProf Asy1
+FULLPROF_ASY_2 = 0.02261  # FullProf Asy2
+FULLPROF_ASY_3 = -0.10961  # FullProf Asy3
+FULLPROF_ASY_4 = 0.04941  # FullProf Asy4
+
+x, calc_fullprof = verify.load_fullprof_calc_profile(
+    FULLPROF_PROJECT_DIR,
+    FULLPROF_PRF_FILE,
+    FULLPROF_BAC_FILE,
+    FULLPROF_ZERO,
+)
+
 # %% [markdown]
 # ## Create the experiment
 
@@ -107,141 +113,132 @@
 )
 verify.set_reference_as_measured(experiment, x, calc_fullprof)
 
-experiment.linked_phases.create(id='pbso4', scale=1.463902)  # FullProf Scale
+experiment.linked_phases.create(id='pbso4', scale=FULLPROF_SCALE)
 
-experiment.instrument.setup_wavelength = 1.912  # FullProf Lambda
+experiment.instrument.setup_wavelength = FULLPROF_WAVELENGTH
+experiment.instrument.calib_twotheta_offset = FULLPROF_ZERO
 
-experiment.peak.type = 'pseudo-voigt + empirical asymmetry'
-experiment.peak.broad_gauss_u = 0.153291  # FullProf U
-experiment.peak.broad_gauss_v = -0.453033  # FullProf V
-experiment.peak.broad_gauss_w = 0.419309  # FullProf W
-experiment.peak.broad_lorentz_x = 0.0  # FullProf X
-experiment.peak.broad_lorentz_y = 0.086844  # FullProf Y
-experiment.peak.asym_empir_1 = 0.29584  # FullProf Asy1
-experiment.peak.asym_empir_2 = 0.02295  # FullProf Asy2
-experiment.peak.asym_empir_3 = -0.11217  # FullProf Asy3
-experiment.peak.asym_empir_4 = 0.04856  # FullProf Asy4
+experiment.peak.type = 'pseudo-voigt'
+experiment.peak.broad_gauss_u = FULLPROF_U
+experiment.peak.broad_gauss_v = FULLPROF_V
+experiment.peak.broad_gauss_w = FULLPROF_W
+experiment.peak.broad_lorentz_x = FULLPROF_X
+experiment.peak.broad_lorentz_y = FULLPROF_Y
+# The empirical-asymmetry coefficients (cryspy only) are set in the
+# cryspy section below; crysfml has no empirical-asymmetry model.
 
 project.experiments.add(experiment)
 
 # %% [markdown]
-# ## Calculate the pattern with each engine
+# ## ed-cryspy VS FullProf
 
 # %%
-calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')
-calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')
+experiment.peak.type = 'pseudo-voigt + empirical asymmetry'
+experiment.peak.broad_gauss_u = FULLPROF_U
+experiment.peak.broad_gauss_v = FULLPROF_V
+experiment.peak.broad_gauss_w = FULLPROF_W
+experiment.peak.broad_lorentz_x = FULLPROF_X
+experiment.peak.broad_lorentz_y = FULLPROF_Y
+experiment.peak.asym_empir_1 = FULLPROF_ASY_1
+experiment.peak.asym_empir_2 = FULLPROF_ASY_2
+experiment.peak.asym_empir_3 = FULLPROF_ASY_3
+experiment.peak.asym_empir_4 = FULLPROF_ASY_4
 
-# %% [markdown]
-# ## Compare each engine against FullProf
-#
-# The FullProf reference is drawn as a solid blue line and the engine as
-# a red dashed line, with the residual below and closeness metrics in the
-# top-left corner.
+experiment.calculator.type = 'cryspy'
+project.analysis.calculate()
+calc_ed_cryspy = experiment.data.intensity_calc
 
-# %%
 project.display.pattern_comparison(
     'pbso4',
     reference=calc_fullprof,
     candidate=calc_ed_cryspy,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (cryspy)',
+    candidate_label='ed-cryspy',
 )
 
+# %% [markdown]
+# ## Fit ed-cryspy to FullProf
+
 # %%
+# cryspy and FullProf parameterise the empirical asymmetry differently, so
+# the FullProf coefficients do not transfer 1-to-1. Freeing cryspy's own
+# coefficients recovers the FullProf profile, confirming the structure and
+# the symmetric profile are correct.
+experiment.calculator.type = 'cryspy'
+experiment.linked_phases['pbso4'].scale.free = True
+experiment.peak.asym_empir_1.free = True
+experiment.peak.asym_empir_2.free = True
+experiment.peak.asym_empir_3.free = True
+experiment.peak.asym_empir_4.free = True
+
+project.analysis.fit()
+project.display.fit.results()
+
+project.analysis.calculate()
+calc_ed_cryspy_refined = experiment.data.intensity_calc
+
 project.display.pattern_comparison(
     'pbso4',
     reference=calc_fullprof,
-    candidate=calc_ed_crysfml,
+    candidate=calc_ed_cryspy_refined,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (crysfml)',
+    candidate_label='ed-cryspy (refined)',
 )
 
 # %% [markdown]
-# ## Compare the two engines with each other
+# ## ed-crysfml VS FullProf
 
 # %%
+experiment.calculator.type = 'crysfml'
+experiment.peak.type = 'pseudo-voigt'
+experiment.linked_phases['pbso4'].scale = FULLPROF_SCALE
+experiment.linked_phases['pbso4'].scale.free = False
+experiment.peak.broad_gauss_u = FULLPROF_U
+experiment.peak.broad_gauss_v = FULLPROF_V
+experiment.peak.broad_gauss_w = FULLPROF_W
+experiment.peak.broad_lorentz_x = FULLPROF_X
+experiment.peak.broad_lorentz_y = FULLPROF_Y
+
+project.analysis.calculate()
+calc_ed_crysfml = experiment.data.intensity_calc
+
 project.display.pattern_comparison(
     'pbso4',
-    reference=calc_ed_crysfml,
-    candidate=calc_ed_cryspy,
-    reference_label='EasyDiffraction (crysfml)',
-    candidate_label='EasyDiffraction (cryspy)',
-)
-
-# %% [markdown]
-# ## Agreement check
-#
-# A single table scores every pair against documented tolerances, with a
-# check/cross per metric; an out-of-tolerance value is shown in red. The
-# two engines agree closely with each other but both differ from FullProf
-# on the empirical asymmetry, so the check only reports here
-# (`raise_on_failure=False`) and the difference is investigated below.
-
-# %%
-verify.assert_patterns_agree(
-    [
-        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),
-        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),
-        ('cryspy vs crysfml', calc_ed_cryspy, calc_ed_crysfml),
-    ],
-    raise_on_failure=False,
+    reference=calc_fullprof,
+    candidate=calc_ed_crysfml,
+    reference_label='FullProf',
+    candidate_label='ed-crysfml',
 )
 
 # %% [markdown]
-# ## Investigate the discrepancy by refinement
-#
-# The two engines agree with each other but differ from FullProf only on
-# the **empirical axial-divergence asymmetry** — a peak-*profile*
-# parameter whose definition differs between codes, not a structural one.
-# Because the FullProf profile is already loaded as the measured data, we
-# can test that reading directly: refine **only** the four `asym_empir_*`
-# terms with the `cryspy` engine, keeping the structure and every other
-# parameter fixed, and check whether `cryspy` can reproduce the FullProf
-# curve — and how far the asymmetry terms have to move to do it.
+# ## Fit ed-crysfml to FullProf
 
 # %%
-experiment.calculator.type = 'cryspy'
-project.analysis.minimizer.type = 'lmfit'
-
-# Free only the disputed asymmetry terms; the structure stays fixed, so a
-# good fit confirms the difference is a profile-parameter convention, not
-# a structural disagreement.
-experiment.peak.asym_empir_1.free = True
-experiment.peak.asym_empir_2.free = True
-experiment.peak.asym_empir_3.free = True
-experiment.peak.asym_empir_4.free = True
+experiment.linked_phases['pbso4'].scale.free = True
+experiment.instrument.calib_twotheta_offset.free = True
 
-# %%
 project.analysis.fit()
-
-# %% [markdown]
-# ## Goodness of fit and refined parameters
-#
-# The reference is a calculation-only profile with unit uncertainties, so
-# the absolute reduced χ² and R-factors are not normalised goodness-of-fit
-# values; the **scale-independent before/after closeness table** below is
-# the meaningful measure of the improvement. What matters here is the
-# refined asymmetry values and that the structure was never touched.
-
-# %%
 project.display.fit.results()
 
-# %% [markdown]
-# ## Refined cryspy vs FullProf
-#
-# The refined `cryspy` pattern overlaid on the FullProf reference, then a
-# before/after table of the closeness metrics.
-
-# %%
-calc_ed_cryspy_refined = verify.calculate_pattern(project, experiment, 'cryspy')
+project.analysis.calculate()
+calc_ed_crysfml_refined = experiment.data.intensity_calc
 
 project.display.pattern_comparison(
     'pbso4',
     reference=calc_fullprof,
-    candidate=calc_ed_cryspy_refined,
+    candidate=calc_ed_crysfml_refined,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (cryspy, refined)',
+    candidate_label='ed-crysfml (refined)',
 )
 
+# %% [markdown]
+# ## Agreement check
+
 # %%
-verify.report_refinement_closeness(calc_fullprof, calc_ed_cryspy, calc_ed_cryspy_refined)
+verify.assert_patterns_agree(
+    [
+        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy_refined),
+        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml_refined),
+    ],
+    raise_on_failure=False,
+)
diff --git a/docs/docs/verification/pd-neut-tof_jvd_ncaf.ipynb b/docs/docs/verification/pd-neut-tof_jvd_ncaf.ipynb
index 4fd153c0a..f1d5d867b 100644
--- a/docs/docs/verification/pd-neut-tof_jvd_ncaf.ipynb
+++ b/docs/docs/verification/pd-neut-tof_jvd_ncaf.ipynb
@@ -24,19 +24,7 @@
    "id": "1",
    "metadata": {},
    "source": [
-    "# NaCaAlF — neutron powder, time-of-flight, Jorgensen–Von Dreele\n",
-    "\n",
-    "Cross-engine and external-reference verification for NaCaAlF\n",
-    "(Na₂Ca₃Al₂F₁₄) in time-of-flight geometry: the **same** pattern is\n",
-    "calculated with each EasyDiffraction engine (`cryspy`, `crysfml`) and\n",
-    "compared against a **FullProf** reference, on identical input\n",
-    "parameters and **without any fitting**.\n",
-    "\n",
-    "This Jorgensen–Von Dreele profile has no Lorentzian (`gamma`) term, so\n",
-    "both engines reproduce the FullProf peak *shapes* closely — but they\n",
-    "sit at a different absolute time-of-flight intensity scale (and differ\n",
-    "from each other in scale), so the scale convention is investigated by\n",
-    "refinement below."
+    "# Na₂Ca₃Al₂F₁₄ — neutron powder, time-of-flight, Jorgensen–Von Dreele"
    ]
   },
   {
@@ -56,31 +44,6 @@
    "cell_type": "markdown",
    "id": "3",
    "metadata": {},
-   "source": [
-    "## Load the FullProf reference\n",
-    "\n",
-    "This reference is a two-column ``x y`` profile."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "4",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "reference_dir = verify.bundled_reference_dir() / 'pd-neut-tof_jvd_ncaf'\n",
-    "x, calc_fullprof = verify.load_columned_profile(\n",
-    "    str(reference_dir / 'ncaf_tof.sub'),\n",
-    "    skip_rows=1,\n",
-    "    columns=(0, 1),\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "5",
-   "metadata": {},
    "source": [
     "## Build the project"
    ]
@@ -88,7 +51,7 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "6",
+   "id": "4",
    "metadata": {},
    "outputs": [],
    "source": [
@@ -97,7 +60,7 @@
   },
   {
    "cell_type": "markdown",
-   "id": "7",
+   "id": "5",
    "metadata": {},
    "source": [
     "## Define the structure"
@@ -106,22 +69,21 @@
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "8",
+   "id": "6",
    "metadata": {},
    "outputs": [],
    "source": [
     "structure = StructureFactory.from_scratch(name='ncaf')\n",
     "structure.space_group.name_h_m = 'I 21 3'  # FullProf Space group symbol\n",
     "structure.cell.length_a = 10.250256  # FullProf a\n",
-    "structure.cell.length_b = 10.250256  # FullProf b\n",
-    "structure.cell.length_c = 10.250256  # FullProf c\n",
     "structure.atom_sites.create(\n",
     "    label='Ca',  # FullProf Atom\n",
     "    type_symbol='Ca',  # FullProf Typ\n",
     "    fract_x=0.46610,  # FullProf X\n",
     "    fract_y=0.0,  # FullProf Y\n",
     "    fract_z=0.25,  # FullProf Z\n",
-    "    adp_iso=0.88770,  # FullProf Biso\n",
+    "    adp_type='Biso',  # FullProf Biso\n",
+    "    adp_iso=0.88721,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='Al',  # FullProf Atom\n",
@@ -129,7 +91,8 @@
     "    fract_x=0.25163,  # FullProf X\n",
     "    fract_y=0.25163,  # FullProf Y\n",
     "    fract_z=0.25163,  # FullProf Z\n",
-    "    adp_iso=0.65283,  # FullProf Biso\n",
+    "    adp_type='Biso',  # FullProf Biso\n",
+    "    adp_iso=0.65230,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='Na',  # FullProf Atom\n",
@@ -137,7 +100,8 @@
     "    fract_x=0.08472,  # FullProf X\n",
     "    fract_y=0.08472,  # FullProf Y\n",
     "    fract_z=0.08472,  # FullProf Z\n",
-    "    adp_iso=1.89281,  # FullProf Biso\n",
+    "    adp_type='Biso',  # FullProf Biso\n",
+    "    adp_iso=1.89168,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='F1',  # FullProf Atom\n",
@@ -145,7 +109,8 @@
     "    fract_x=0.13748,  # FullProf X\n",
     "    fract_y=0.30533,  # FullProf Y\n",
     "    fract_z=0.11947,  # FullProf Z\n",
-    "    adp_iso=0.89562,  # FullProf Biso\n",
+    "    adp_type='Biso',  # FullProf Biso\n",
+    "    adp_iso=0.89535,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='F2',  # FullProf Atom\n",
@@ -153,7 +118,8 @@
     "    fract_x=0.36263,  # FullProf X\n",
     "    fract_y=0.36333,  # FullProf Y\n",
     "    fract_z=0.18669,  # FullProf Z\n",
-    "    adp_iso=1.27227,  # FullProf Biso\n",
+    "    adp_type='Biso',  # FullProf Biso\n",
+    "    adp_iso=1.27175,  # FullProf Biso\n",
     ")\n",
     "structure.atom_sites.create(\n",
     "    label='F3',  # FullProf Atom\n",
@@ -161,12 +127,55 @@
     "    fract_x=0.46120,  # FullProf X\n",
     "    fract_y=0.46120,  # FullProf Y\n",
     "    fract_z=0.46120,  # FullProf Z\n",
-    "    adp_iso=0.78071,  # FullProf Biso\n",
+    "    adp_type='Biso',  # FullProf Biso\n",
+    "    adp_iso=0.78029,  # FullProf Biso\n",
     ")\n",
     "\n",
     "project.structures.add(structure)"
    ]
   },
+  {
+   "cell_type": "markdown",
+   "id": "7",
+   "metadata": {},
+   "source": [
+    "## Load the FullProf reference"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "FULLPROF_PROJECT_DIR = 'pd-neut-tof_jvd_ncaf'\n",
+    "FULLPROF_PRF_FILE = 'tmpl_one_bank.prf'\n",
+    "FULLPROF_BAC_FILE = 'tmpl_one_bank.bac'\n",
+    "FULLPROF_ZERO = -13.88128  # FullProf Zero\n",
+    "FULLPROF_SCALE = 4.019304  # FullProf Scale\n",
+    "FULLPROF_TWOTHETA_BANK = 152.827  # FullProf 2ThetaBank\n",
+    "FULLPROF_DTT1 = 20773.12305  # FullProf Dtt1\n",
+    "FULLPROF_DTT2 = -1.08308  # FullProf Dtt2\n",
+    "FULLPROF_SIGMA_0 = 0.0  # FullProf Sigma-0\n",
+    "FULLPROF_SIGMA_1 = 0.0  # FullProf Sigma-1\n",
+    "FULLPROF_SIGMA_2 = 15.6959  # FullProf Sigma-2\n",
+    "FULLPROF_GAMMA_0 = 0.0  # FullProf Gamma-0\n",
+    "FULLPROF_GAMMA_1 = 0.0  # FullProf Gamma-1\n",
+    "FULLPROF_GAMMA_2 = 0.0  # FullProf Gamma-2\n",
+    "FULLPROF_ALPHA_0 = -0.009276  # FullProf alph0\n",
+    "FULLPROF_ALPHA_1 = 0.109622  # FullProf alph1\n",
+    "FULLPROF_BETA_0 = 0.006705  # FullProf beta0\n",
+    "FULLPROF_BETA_1 = 0.009708  # FullProf beta1\n",
+    "\n",
+    "x, calc_fullprof = verify.load_fullprof_calc_profile(\n",
+    "    FULLPROF_PROJECT_DIR,\n",
+    "    FULLPROF_PRF_FILE,\n",
+    "    FULLPROF_BAC_FILE,\n",
+    "    FULLPROF_ZERO,\n",
+    ")"
+   ]
+  },
   {
    "cell_type": "markdown",
    "id": "9",
@@ -191,20 +200,23 @@
     ")\n",
     "verify.set_reference_as_measured(experiment, x, calc_fullprof)\n",
     "\n",
-    "experiment.instrument.setup_twotheta_bank = 152.827  # FullProf 2ThetaBank\n",
-    "experiment.instrument.calib_d_to_tof_linear = 20773.12305  # FullProf Dtt1\n",
-    "experiment.instrument.calib_d_to_tof_quad = -1.08308  # FullProf Dtt2\n",
+    "experiment.linked_phases.create(id='ncaf', scale=FULLPROF_SCALE)\n",
     "\n",
-    "experiment.peak.type = 'jorgensen-von-dreele'\n",
-    "experiment.peak.broad_gauss_sigma_0 = 0.0  # FullProf Sigma-0\n",
-    "experiment.peak.broad_gauss_sigma_1 = 0.0  # FullProf Sigma-1\n",
-    "experiment.peak.broad_gauss_sigma_2 = 15.6959  # FullProf Sigma-2\n",
-    "experiment.peak.exp_rise_alpha_0 = -0.009276  # FullProf alph0\n",
-    "experiment.peak.exp_rise_alpha_1 = 0.109623  # FullProf alph1\n",
-    "experiment.peak.exp_decay_beta_0 = 0.006705  # FullProf beta0\n",
-    "experiment.peak.exp_decay_beta_1 = 0.009708  # FullProf beta1\n",
+    "experiment.instrument.setup_twotheta_bank = FULLPROF_TWOTHETA_BANK\n",
+    "experiment.instrument.calib_d_to_tof_linear = FULLPROF_DTT1\n",
+    "experiment.instrument.calib_d_to_tof_quad = FULLPROF_DTT2\n",
     "\n",
-    "experiment.linked_phases.create(id='ncaf', scale=4.019921)  # FullProf Scale\n",
+    "experiment.peak.type = 'jorgensen-von-dreele'\n",
+    "experiment.peak.broad_gauss_sigma_0 = FULLPROF_SIGMA_0\n",
+    "experiment.peak.broad_gauss_sigma_1 = FULLPROF_SIGMA_1\n",
+    "experiment.peak.broad_gauss_sigma_2 = FULLPROF_SIGMA_2\n",
+    "experiment.peak.broad_lorentz_gamma_0 = FULLPROF_GAMMA_0\n",
+    "experiment.peak.broad_lorentz_gamma_1 = FULLPROF_GAMMA_1\n",
+    "experiment.peak.broad_lorentz_gamma_2 = FULLPROF_GAMMA_2\n",
+    "experiment.peak.exp_rise_alpha_0 = FULLPROF_ALPHA_0\n",
+    "experiment.peak.exp_rise_alpha_1 = FULLPROF_ALPHA_1\n",
+    "experiment.peak.exp_decay_beta_0 = FULLPROF_BETA_0\n",
+    "experiment.peak.exp_decay_beta_1 = FULLPROF_BETA_1\n",
     "\n",
     "project.experiments.add(experiment)"
    ]
@@ -214,7 +226,7 @@
    "id": "11",
    "metadata": {},
    "source": [
-    "## Calculate the pattern with each engine"
+    "## ed-cryspy VS FullProf"
    ]
   },
   {
@@ -224,8 +236,17 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')\n",
-    "calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')"
+    "experiment.calculator.type = 'cryspy'\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_cryspy = experiment.data.intensity_calc\n",
+    "\n",
+    "project.display.pattern_comparison(\n",
+    "    'ncaf',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_cryspy,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-cryspy',\n",
+    ")"
    ]
   },
   {
@@ -233,7 +254,7 @@
    "id": "13",
    "metadata": {},
    "source": [
-    "## Compare each engine against FullProf"
+    "## Fit ed-cryspy to FullProf"
    ]
   },
   {
@@ -243,207 +264,108 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "experiment.calculator.type = 'cryspy'\n",
+    "experiment.linked_phases['ncaf'].scale.free = True\n",
+    "\n",
+    "project.analysis.fit()\n",
+    "project.display.fit.results()\n",
+    "\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_cryspy_refined = experiment.data.intensity_calc\n",
+    "\n",
     "project.display.pattern_comparison(\n",
     "    'ncaf',\n",
     "    reference=calc_fullprof,\n",
-    "    candidate=calc_ed_cryspy,\n",
-    "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "15",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.display.pattern_comparison(\n",
-    "    'ncaf',\n",
-    "    reference=calc_fullprof,\n",
-    "    candidate=calc_ed_crysfml,\n",
+    "    candidate=calc_ed_cryspy_refined,\n",
     "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (crysfml)',\n",
+    "    candidate_label='ed-cryspy (refined)',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "16",
+   "id": "15",
    "metadata": {},
    "source": [
-    "## Compare the two engines with each other"
+    "## ed-crysfml VS FullProf"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "17",
+   "id": "16",
    "metadata": {},
    "outputs": [],
    "source": [
+    "experiment.calculator.type = 'crysfml'\n",
+    "experiment.linked_phases['ncaf'].scale = FULLPROF_SCALE\n",
+    "experiment.linked_phases['ncaf'].scale.free = False\n",
+    "\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml = experiment.data.intensity_calc\n",
+    "\n",
     "project.display.pattern_comparison(\n",
     "    'ncaf',\n",
-    "    reference=calc_ed_crysfml,\n",
-    "    candidate=calc_ed_cryspy,\n",
-    "    reference_label='EasyDiffraction (crysfml)',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
+    "    reference=calc_fullprof,\n",
+    "    candidate=calc_ed_crysfml,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-crysfml',\n",
     ")"
    ]
   },
   {
    "cell_type": "markdown",
-   "id": "18",
+   "id": "17",
    "metadata": {},
    "source": [
-    "## Agreement check\n",
-    "\n",
-    "The engines reproduce the FullProf peak *shapes* but sit at different\n",
-    "absolute time-of-flight intensity scales: neither matches the FullProf\n",
-    "`.pcr` scale and the two engines differ from each other by a large\n",
-    "factor, so the absolute comparison is reported here\n",
-    "(`raise_on_failure=False`) and the scale convention is investigated\n",
-    "below."
+    "## Fit ed-crysfml to FullProf"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "19",
+   "id": "18",
    "metadata": {},
    "outputs": [],
    "source": [
-    "verify.assert_patterns_agree(\n",
-    "    [\n",
-    "        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),\n",
-    "        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),\n",
-    "        ('cryspy vs crysfml', calc_ed_cryspy, calc_ed_crysfml),\n",
-    "    ],\n",
-    "    raise_on_failure=False,\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "20",
-   "metadata": {},
-   "source": [
-    "## Investigate the discrepancy by refinement\n",
+    "experiment.linked_phases['ncaf'].scale.free = True\n",
     "\n",
-    "The divergence is in the scale, not the structure. So, it is freed ..."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "21",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "# Adjust the initial guess to be closer to the reference, to speed up the fit\n",
-    "experiment.linked_phases['ncaf'].scale = 1.0932"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "22",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "experiment.calculator.type = 'cryspy'\n",
-    "project.analysis.minimizer.type = 'lmfit'\n",
+    "project.analysis.fit()\n",
+    "project.display.fit.results()\n",
     "\n",
-    "experiment.linked_phases['ncaf'].scale.free = True"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "23",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.analysis.fit()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "24",
-   "metadata": {},
-   "source": [
-    "## Goodness of fit and refined parameters"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "25",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.display.fit.results()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "26",
-   "metadata": {},
-   "source": [
-    "## Refined cryspy vs FullProf"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "27",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "calc_ed_cryspy_refined = verify.calculate_pattern(project, experiment, 'cryspy')\n",
+    "project.analysis.calculate()\n",
+    "calc_ed_crysfml_refined = experiment.data.intensity_calc\n",
     "\n",
     "project.display.pattern_comparison(\n",
     "    'ncaf',\n",
     "    reference=calc_fullprof,\n",
-    "    candidate=calc_ed_cryspy_refined,\n",
+    "    candidate=calc_ed_crysfml_refined,\n",
     "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (cryspy, refined)',\n",
+    "    candidate_label='ed-crysfml (refined)',\n",
     ")"
    ]
   },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "28",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "verify.report_refinement_closeness(calc_fullprof, calc_ed_cryspy, calc_ed_cryspy_refined)"
-   ]
-  },
   {
    "cell_type": "markdown",
-   "id": "29",
+   "id": "19",
    "metadata": {},
    "source": [
-    "## Agreement after refinement\n",
-    "\n",
-    "With the scale convention absorbed by refining the single,\n",
-    "non-structural scale (the structure stays fixed), cryspy reproduces the\n",
-    "FullProf profile within tolerance. This is asserted as a strict pass, so\n",
-    "the page is a regression check rather than a skipped illustration."
+    "## Agreement check"
    ]
   },
   {
    "cell_type": "code",
    "execution_count": null,
-   "id": "30",
+   "id": "20",
    "metadata": {},
    "outputs": [],
    "source": [
     "verify.assert_patterns_agree(\n",
-    "    [('cryspy vs FullProf (refined)', calc_fullprof, calc_ed_cryspy_refined)],\n",
+    "    [\n",
+    "        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy_refined),\n",
+    "        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml_refined),\n",
+    "    ],\n",
+    "    raise_on_failure=False,\n",
     ")"
    ]
   }
diff --git a/docs/docs/verification/pd-neut-tof_jvd_ncaf.py b/docs/docs/verification/pd-neut-tof_jvd_ncaf.py
index 4be378991..833362446 100644
--- a/docs/docs/verification/pd-neut-tof_jvd_ncaf.py
+++ b/docs/docs/verification/pd-neut-tof_jvd_ncaf.py
@@ -1,17 +1,5 @@
 # %% [markdown]
-# # NaCaAlF — neutron powder, time-of-flight, Jorgensen–Von Dreele
-#
-# Cross-engine and external-reference verification for NaCaAlF
-# (Na₂Ca₃Al₂F₁₄) in time-of-flight geometry: the **same** pattern is
-# calculated with each EasyDiffraction engine (`cryspy`, `crysfml`) and
-# compared against a **FullProf** reference, on identical input
-# parameters and **without any fitting**.
-#
-# This Jorgensen–Von Dreele profile has no Lorentzian (`gamma`) term, so
-# both engines reproduce the FullProf peak *shapes* closely — but they
-# sit at a different absolute time-of-flight intensity scale (and differ
-# from each other in scale), so the scale convention is investigated by
-# refinement below.
+# # Na₂Ca₃Al₂F₁₄ — neutron powder, time-of-flight, Jorgensen–Von Dreele
 
 # %%
 import easydiffraction as ed
@@ -19,19 +7,6 @@
 from easydiffraction import StructureFactory
 from easydiffraction.analysis import verification as verify
 
-# %% [markdown]
-# ## Load the FullProf reference
-#
-# This reference is a two-column ``x y`` profile.
-
-# %%
-reference_dir = verify.bundled_reference_dir() / 'pd-neut-tof_jvd_ncaf'
-x, calc_fullprof = verify.load_columned_profile(
-    str(reference_dir / 'ncaf_tof.sub'),
-    skip_rows=1,
-    columns=(0, 1),
-)
-
 # %% [markdown]
 # ## Build the project
 
@@ -45,15 +20,14 @@
 structure = StructureFactory.from_scratch(name='ncaf')
 structure.space_group.name_h_m = 'I 21 3'  # FullProf Space group symbol
 structure.cell.length_a = 10.250256  # FullProf a
-structure.cell.length_b = 10.250256  # FullProf b
-structure.cell.length_c = 10.250256  # FullProf c
 structure.atom_sites.create(
     label='Ca',  # FullProf Atom
     type_symbol='Ca',  # FullProf Typ
     fract_x=0.46610,  # FullProf X
     fract_y=0.0,  # FullProf Y
     fract_z=0.25,  # FullProf Z
-    adp_iso=0.88770,  # FullProf Biso
+    adp_type='Biso',  # FullProf Biso
+    adp_iso=0.88721,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='Al',  # FullProf Atom
@@ -61,7 +35,8 @@
     fract_x=0.25163,  # FullProf X
     fract_y=0.25163,  # FullProf Y
     fract_z=0.25163,  # FullProf Z
-    adp_iso=0.65283,  # FullProf Biso
+    adp_type='Biso',  # FullProf Biso
+    adp_iso=0.65230,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='Na',  # FullProf Atom
@@ -69,7 +44,8 @@
     fract_x=0.08472,  # FullProf X
     fract_y=0.08472,  # FullProf Y
     fract_z=0.08472,  # FullProf Z
-    adp_iso=1.89281,  # FullProf Biso
+    adp_type='Biso',  # FullProf Biso
+    adp_iso=1.89168,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='F1',  # FullProf Atom
@@ -77,7 +53,8 @@
     fract_x=0.13748,  # FullProf X
     fract_y=0.30533,  # FullProf Y
     fract_z=0.11947,  # FullProf Z
-    adp_iso=0.89562,  # FullProf Biso
+    adp_type='Biso',  # FullProf Biso
+    adp_iso=0.89535,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='F2',  # FullProf Atom
@@ -85,7 +62,8 @@
     fract_x=0.36263,  # FullProf X
     fract_y=0.36333,  # FullProf Y
     fract_z=0.18669,  # FullProf Z
-    adp_iso=1.27227,  # FullProf Biso
+    adp_type='Biso',  # FullProf Biso
+    adp_iso=1.27175,  # FullProf Biso
 )
 structure.atom_sites.create(
     label='F3',  # FullProf Atom
@@ -93,11 +71,42 @@
     fract_x=0.46120,  # FullProf X
     fract_y=0.46120,  # FullProf Y
     fract_z=0.46120,  # FullProf Z
-    adp_iso=0.78071,  # FullProf Biso
+    adp_type='Biso',  # FullProf Biso
+    adp_iso=0.78029,  # FullProf Biso
 )
 
 project.structures.add(structure)
 
+# %% [markdown]
+# ## Load the FullProf reference
+
+# %%
+FULLPROF_PROJECT_DIR = 'pd-neut-tof_jvd_ncaf'
+FULLPROF_PRF_FILE = 'tmpl_one_bank.prf'
+FULLPROF_BAC_FILE = 'tmpl_one_bank.bac'
+FULLPROF_ZERO = -13.88128  # FullProf Zero
+FULLPROF_SCALE = 4.019304  # FullProf Scale
+FULLPROF_TWOTHETA_BANK = 152.827  # FullProf 2ThetaBank
+FULLPROF_DTT1 = 20773.12305  # FullProf Dtt1
+FULLPROF_DTT2 = -1.08308  # FullProf Dtt2
+FULLPROF_SIGMA_0 = 0.0  # FullProf Sigma-0
+FULLPROF_SIGMA_1 = 0.0  # FullProf Sigma-1
+FULLPROF_SIGMA_2 = 15.6959  # FullProf Sigma-2
+FULLPROF_GAMMA_0 = 0.0  # FullProf Gamma-0
+FULLPROF_GAMMA_1 = 0.0  # FullProf Gamma-1
+FULLPROF_GAMMA_2 = 0.0  # FullProf Gamma-2
+FULLPROF_ALPHA_0 = -0.009276  # FullProf alph0
+FULLPROF_ALPHA_1 = 0.109622  # FullProf alph1
+FULLPROF_BETA_0 = 0.006705  # FullProf beta0
+FULLPROF_BETA_1 = 0.009708  # FullProf beta1
+
+x, calc_fullprof = verify.load_fullprof_calc_profile(
+    FULLPROF_PROJECT_DIR,
+    FULLPROF_PRF_FILE,
+    FULLPROF_BAC_FILE,
+    FULLPROF_ZERO,
+)
+
 # %% [markdown]
 # ## Create the experiment
 
@@ -111,133 +120,110 @@
 )
 verify.set_reference_as_measured(experiment, x, calc_fullprof)
 
-experiment.instrument.setup_twotheta_bank = 152.827  # FullProf 2ThetaBank
-experiment.instrument.calib_d_to_tof_linear = 20773.12305  # FullProf Dtt1
-experiment.instrument.calib_d_to_tof_quad = -1.08308  # FullProf Dtt2
+experiment.linked_phases.create(id='ncaf', scale=FULLPROF_SCALE)
 
-experiment.peak.type = 'jorgensen-von-dreele'
-experiment.peak.broad_gauss_sigma_0 = 0.0  # FullProf Sigma-0
-experiment.peak.broad_gauss_sigma_1 = 0.0  # FullProf Sigma-1
-experiment.peak.broad_gauss_sigma_2 = 15.6959  # FullProf Sigma-2
-experiment.peak.exp_rise_alpha_0 = -0.009276  # FullProf alph0
-experiment.peak.exp_rise_alpha_1 = 0.109623  # FullProf alph1
-experiment.peak.exp_decay_beta_0 = 0.006705  # FullProf beta0
-experiment.peak.exp_decay_beta_1 = 0.009708  # FullProf beta1
+experiment.instrument.setup_twotheta_bank = FULLPROF_TWOTHETA_BANK
+experiment.instrument.calib_d_to_tof_linear = FULLPROF_DTT1
+experiment.instrument.calib_d_to_tof_quad = FULLPROF_DTT2
 
-experiment.linked_phases.create(id='ncaf', scale=4.019921)  # FullProf Scale
+experiment.peak.type = 'jorgensen-von-dreele'
+experiment.peak.broad_gauss_sigma_0 = FULLPROF_SIGMA_0
+experiment.peak.broad_gauss_sigma_1 = FULLPROF_SIGMA_1
+experiment.peak.broad_gauss_sigma_2 = FULLPROF_SIGMA_2
+experiment.peak.broad_lorentz_gamma_0 = FULLPROF_GAMMA_0
+experiment.peak.broad_lorentz_gamma_1 = FULLPROF_GAMMA_1
+experiment.peak.broad_lorentz_gamma_2 = FULLPROF_GAMMA_2
+experiment.peak.exp_rise_alpha_0 = FULLPROF_ALPHA_0
+experiment.peak.exp_rise_alpha_1 = FULLPROF_ALPHA_1
+experiment.peak.exp_decay_beta_0 = FULLPROF_BETA_0
+experiment.peak.exp_decay_beta_1 = FULLPROF_BETA_1
 
 project.experiments.add(experiment)
 
 # %% [markdown]
-# ## Calculate the pattern with each engine
+# ## ed-cryspy VS FullProf
 
 # %%
-calc_ed_cryspy = verify.calculate_pattern(project, experiment, 'cryspy')
-calc_ed_crysfml = verify.calculate_pattern(project, experiment, 'crysfml')
-
-# %% [markdown]
-# ## Compare each engine against FullProf
+experiment.calculator.type = 'cryspy'
+project.analysis.calculate()
+calc_ed_cryspy = experiment.data.intensity_calc
 
-# %%
 project.display.pattern_comparison(
     'ncaf',
     reference=calc_fullprof,
     candidate=calc_ed_cryspy,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (cryspy)',
+    candidate_label='ed-cryspy',
 )
 
+# %% [markdown]
+# ## Fit ed-cryspy to FullProf
+
 # %%
+experiment.calculator.type = 'cryspy'
+experiment.linked_phases['ncaf'].scale.free = True
+
+project.analysis.fit()
+project.display.fit.results()
+
+project.analysis.calculate()
+calc_ed_cryspy_refined = experiment.data.intensity_calc
+
 project.display.pattern_comparison(
     'ncaf',
     reference=calc_fullprof,
-    candidate=calc_ed_crysfml,
+    candidate=calc_ed_cryspy_refined,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (crysfml)',
+    candidate_label='ed-cryspy (refined)',
 )
 
 # %% [markdown]
-# ## Compare the two engines with each other
+# ## ed-crysfml VS FullProf
 
 # %%
-project.display.pattern_comparison(
-    'ncaf',
-    reference=calc_ed_crysfml,
-    candidate=calc_ed_cryspy,
-    reference_label='EasyDiffraction (crysfml)',
-    candidate_label='EasyDiffraction (cryspy)',
-)
+experiment.calculator.type = 'crysfml'
+experiment.linked_phases['ncaf'].scale = FULLPROF_SCALE
+experiment.linked_phases['ncaf'].scale.free = False
 
-# %% [markdown]
-# ## Agreement check
-#
-# The engines reproduce the FullProf peak *shapes* but sit at different
-# absolute time-of-flight intensity scales: neither matches the FullProf
-# `.pcr` scale and the two engines differ from each other by a large
-# factor, so the absolute comparison is reported here
-# (`raise_on_failure=False`) and the scale convention is investigated
-# below.
+project.analysis.calculate()
+calc_ed_crysfml = experiment.data.intensity_calc
 
-# %%
-verify.assert_patterns_agree(
-    [
-        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy),
-        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml),
-        ('cryspy vs crysfml', calc_ed_cryspy, calc_ed_crysfml),
-    ],
-    raise_on_failure=False,
+project.display.pattern_comparison(
+    'ncaf',
+    reference=calc_fullprof,
+    candidate=calc_ed_crysfml,
+    reference_label='FullProf',
+    candidate_label='ed-crysfml',
 )
 
 # %% [markdown]
-# ## Investigate the discrepancy by refinement
-#
-# The divergence is in the scale, not the structure. So, it is freed ...
-
-# %%
-# Adjust the initial guess to be closer to the reference, to speed up the fit
-experiment.linked_phases['ncaf'].scale = 1.0932
+# ## Fit ed-crysfml to FullProf
 
 # %%
-experiment.calculator.type = 'cryspy'
-project.analysis.minimizer.type = 'lmfit'
-
 experiment.linked_phases['ncaf'].scale.free = True
 
-# %%
 project.analysis.fit()
-
-# %% [markdown]
-# ## Goodness of fit and refined parameters
-
-# %%
 project.display.fit.results()
 
-# %% [markdown]
-# ## Refined cryspy vs FullProf
-
-# %%
-calc_ed_cryspy_refined = verify.calculate_pattern(project, experiment, 'cryspy')
+project.analysis.calculate()
+calc_ed_crysfml_refined = experiment.data.intensity_calc
 
 project.display.pattern_comparison(
     'ncaf',
     reference=calc_fullprof,
-    candidate=calc_ed_cryspy_refined,
+    candidate=calc_ed_crysfml_refined,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (cryspy, refined)',
+    candidate_label='ed-crysfml (refined)',
 )
 
-# %%
-verify.report_refinement_closeness(calc_fullprof, calc_ed_cryspy, calc_ed_cryspy_refined)
-
 # %% [markdown]
-# ## Agreement after refinement
-#
-# With the scale convention absorbed by refining the single,
-# non-structural scale (the structure stays fixed), cryspy reproduces the
-# FullProf profile within tolerance. This is asserted as a strict pass, so
-# the page is a regression check rather than a skipped illustration.
+# ## Agreement check
 
 # %%
 verify.assert_patterns_agree(
-    [('cryspy vs FullProf (refined)', calc_fullprof, calc_ed_cryspy_refined)],
+    [
+        ('cryspy vs FullProf', calc_fullprof, calc_ed_cryspy_refined),
+        ('crysfml vs FullProf', calc_fullprof, calc_ed_crysfml_refined),
+    ],
+    raise_on_failure=False,
 )
diff --git a/docs/docs/verification/sg-neut-cwl_pr2nio4.ipynb b/docs/docs/verification/sg-neut-cwl_pr2nio4.ipynb
index 34ef3604a..de592e8af 100644
--- a/docs/docs/verification/sg-neut-cwl_pr2nio4.ipynb
+++ b/docs/docs/verification/sg-neut-cwl_pr2nio4.ipynb
@@ -24,20 +24,7 @@
    "id": "1",
    "metadata": {},
    "source": [
-    "# Pr₂NiO₄ — neutron single crystal, constant wavelength\n",
-    "\n",
-    "This page verifies the EasyDiffraction `cryspy` single-crystal\n",
-    "structure-factor calculation against **FullProf**, using the real\n",
-    "Pr₂NiO₄:Sr crystal-option refinement from\n",
-    "[cryspy issue #38](https://github.com/ikibalin/cryspy/issues/38). The\n",
-    "structure is built **in code**, the calculated F² of every reflection\n",
-    "is taken straight from the FullProf `.out` file, and the two are\n",
-    "overlaid on a y=x scatter — **without any fitting**. Single-crystal\n",
-    "Bragg calculations are supported by `cryspy` only, so `crysfml` and\n",
-    "FullProf-vs-`crysfml` panels are omitted here.\n",
-    "\n",
-    "The FullProf job is a **neutron** single-crystal refinement (Job = 1,\n",
-    "λ = 0.8302 Å with neutron scattering lengths)."
+    "# Pr₂NiO₄ — neutron single crystal, constant wavelength"
    ]
   },
   {
@@ -60,13 +47,7 @@
    "id": "3",
    "metadata": {},
    "source": [
-    "## Load the FullProf reference\n",
-    "\n",
-    "`load_fullprof_sc_f2calc` reads the integrated-intensity reflection\n",
-    "table from `prnio.out` and returns `F2cal` keyed by `(h, k, l)`.\n",
-    "FullProf reports `F2cal = scale · Corr · |F|²`; the extinction\n",
-    "correction here is below 0.11 %, so once the absolute scale convention\n",
-    "is refined out (below) this is effectively a pure `|F|²` comparison."
+    "## Build the project"
    ]
   },
   {
@@ -76,8 +57,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
-    "reference_dir = verify.bundled_reference_dir() / 'sg-neut-cwl_pr2nio4'\n",
-    "f2calc = verify.load_fullprof_sc_f2calc(str(reference_dir / 'prnio.out'))"
+    "project = ed.Project()"
    ]
   },
   {
@@ -85,7 +65,7 @@
    "id": "5",
    "metadata": {},
    "source": [
-    "## Build the project"
+    "## Define the structure"
    ]
   },
   {
@@ -94,36 +74,6 @@
    "id": "6",
    "metadata": {},
    "outputs": [],
-   "source": [
-    "project = ed.Project()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "7",
-   "metadata": {},
-   "source": [
-    "## Define the structure\n",
-    "\n",
-    "Pr₂NiO₄:Sr is a K₂NiF₄-type oxide in space group `F m m m`. Two\n",
-    "FullProf conventions are converted to the EasyDiffraction (CIF)\n",
-    "convention as the structure is built:\n",
-    "\n",
-    "- **Anisotropic ADPs.** FullProf stores the dimensionless β tensor;\n",
-    "  EasyDiffraction uses U (Ų). For the orthorhombic cell\n",
-    "  `U_ij = β_ij · aᵢ · aⱼ / (2π²)`, since `a*ᵢ = 1/aᵢ`.\n",
-    "- **Occupancies.** FullProf folds the F-centring into its occupancy,\n",
-    "  so its `Occ` equals the CIF site occupancy times the number of\n",
-    "  equivalent atoms per primitive cell (the site multiplicity divided\n",
-    "  by 4). The CIF occupancies below divide that factor back out."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "8",
-   "metadata": {},
-   "outputs": [],
    "source": [
     "structure = StructureFactory.from_scratch(name='pr2nio4')\n",
     "structure.space_group.name_h_m = 'F m m m'  # FullProf Space group symbol\n",
@@ -176,15 +126,33 @@
   },
   {
    "cell_type": "markdown",
-   "id": "9",
+   "id": "7",
    "metadata": {},
    "source": [
-    "## Create the experiment\n",
+    "## Load the FullProf reference"
+   ]
+  },
+  {
+   "cell_type": "code",
+   "execution_count": null,
+   "id": "8",
+   "metadata": {},
+   "outputs": [],
+   "source": [
+    "FULLPROF_PROJECT_DIR = 'sg-neut-cwl_pr2nio4'\n",
+    "FULLPROF_OUT_FILE = 'prnio.out'\n",
+    "FULLPROF_SCALE = 0.06298  # FullProf Scale\n",
+    "FULLPROF_WAVELENGTH = 0.8302  # FullProf Lambda\n",
     "\n",
-    "`set_reference_reflections` creates one reflection per `(h, k, l)` in\n",
-    "the FullProf table, so `cryspy` calculates F² for exactly the same\n",
-    "set. The Becker–Coppens extinction left at its default is negligible\n",
-    "here, matching FullProf's sub-percent correction."
+    "f2calc = verify.load_fullprof_sc_f2calc(FULLPROF_PROJECT_DIR, FULLPROF_OUT_FILE)"
+   ]
+  },
+  {
+   "cell_type": "markdown",
+   "id": "9",
+   "metadata": {},
+   "source": [
+    "## Create the experiment"
    ]
   },
   {
@@ -202,8 +170,8 @@
     "    scattering_type='bragg',\n",
     ")\n",
     "experiment.linked_crystal.id = 'pr2nio4'\n",
-    "experiment.linked_crystal.scale = 0.06298  # FullProf Scale\n",
-    "experiment.instrument.setup_wavelength = 0.8302  # FullProf Lambda\n",
+    "experiment.linked_crystal.scale = FULLPROF_SCALE\n",
+    "experiment.instrument.setup_wavelength = FULLPROF_WAVELENGTH\n",
     "verify.set_reference_reflections(experiment, f2calc)\n",
     "\n",
     "project.experiments.add(experiment)"
@@ -214,7 +182,7 @@
    "id": "11",
    "metadata": {},
    "source": [
-    "## Calculate the structure factors with cryspy"
+    "## ed-cryspy VS FullProf"
    ]
   },
   {
@@ -225,7 +193,15 @@
    "outputs": [],
    "source": [
     "calc_ed_cryspy = verify.calculate_reflections(project, experiment, 'cryspy')\n",
-    "reference, candidate = verify.align_reflections(f2calc, calc_ed_cryspy)"
+    "reference, candidate = verify.align_reflections(f2calc, calc_ed_cryspy)\n",
+    "\n",
+    "project.display.reflection_comparison(\n",
+    "    'pr2nio4',\n",
+    "    reference=reference,\n",
+    "    candidate=candidate,\n",
+    "    reference_label='FullProf',\n",
+    "    candidate_label='ed-cryspy',\n",
+    ")"
    ]
   },
   {
@@ -233,12 +209,7 @@
    "id": "13",
    "metadata": {},
    "source": [
-    "## Compare cryspy against FullProf\n",
-    "\n",
-    "Each point is one reflection: FullProf F² on the x-axis, the cryspy F²\n",
-    "on the y-axis, at their absolute scale. Points fall on the y=x line\n",
-    "when the two calculations agree, with closeness metrics in the top-left\n",
-    "corner."
+    "## Fit ed-cryspy to FullProf"
    ]
   },
   {
@@ -248,12 +219,21 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "experiment.calculator.type = 'cryspy'\n",
+    "experiment.linked_crystal.scale.free = True\n",
+    "\n",
+    "project.analysis.fit()\n",
+    "project.display.fit.results()\n",
+    "\n",
+    "calc_ed_cryspy_refined = verify.calculate_reflections(project, experiment, 'cryspy')\n",
+    "reference_refined, candidate_refined = verify.align_reflections(f2calc, calc_ed_cryspy_refined)\n",
+    "\n",
     "project.display.reflection_comparison(\n",
     "    'pr2nio4',\n",
-    "    reference=reference,\n",
-    "    candidate=candidate,\n",
+    "    reference=reference_refined,\n",
+    "    candidate=candidate_refined,\n",
     "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (cryspy)',\n",
+    "    candidate_label='ed-cryspy (refined)',\n",
     ")"
    ]
   },
@@ -262,13 +242,7 @@
    "id": "15",
    "metadata": {},
    "source": [
-    "## Agreement check\n",
-    "\n",
-    "cryspy reproduces the relative reflection intensities but at a\n",
-    "different absolute F² scale from FullProf's F2cal (which folds in\n",
-    "FullProf's refined scale), so the absolute comparison is reported here\n",
-    "(`raise_on_failure=False`) and the scale convention is investigated\n",
-    "below."
+    "## Agreement check"
    ]
   },
   {
@@ -280,94 +254,11 @@
    "source": [
     "verify.assert_patterns_agree(\n",
     "    [\n",
-    "        ('cryspy vs FullProf', reference, candidate),\n",
+    "        ('cryspy vs FullProf', reference_refined, candidate_refined),\n",
     "    ],\n",
     "    raise_on_failure=False,\n",
     ")"
    ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "17",
-   "metadata": {},
-   "source": [
-    "## Investigate the discrepancy by refinement\n",
-    "\n",
-    "Free **only** the scale and refine with cryspy, keeping the structure\n",
-    "fixed. If a scale-only fit brings the points onto the diagonal, the\n",
-    "difference is an absolute F²-scale convention, not a per-reflection\n",
-    "structure-factor disagreement."
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "18",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "experiment.calculator.type = 'cryspy'\n",
-    "project.analysis.minimizer.type = 'lmfit'\n",
-    "\n",
-    "experiment.linked_crystal.scale.free = True\n",
-    "\n",
-    "project.analysis.fit()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "19",
-   "metadata": {},
-   "source": [
-    "## Goodness of fit and refined parameters"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "20",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "project.display.fit.results()"
-   ]
-  },
-  {
-   "cell_type": "markdown",
-   "id": "21",
-   "metadata": {},
-   "source": [
-    "## Refined cryspy vs FullProf"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "22",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "calc_ed_cryspy_refined = verify.calculate_reflections(project, experiment, 'cryspy')\n",
-    "reference_after, candidate_after = verify.align_reflections(f2calc, calc_ed_cryspy_refined)\n",
-    "\n",
-    "project.display.reflection_comparison(\n",
-    "    'pr2nio4',\n",
-    "    reference=reference_after,\n",
-    "    candidate=candidate_after,\n",
-    "    reference_label='FullProf',\n",
-    "    candidate_label='EasyDiffraction (cryspy, refined)',\n",
-    ")"
-   ]
-  },
-  {
-   "cell_type": "code",
-   "execution_count": null,
-   "id": "23",
-   "metadata": {},
-   "outputs": [],
-   "source": [
-    "verify.report_refinement_closeness(reference, candidate, candidate_after)"
-   ]
   }
  ],
  "metadata": {
diff --git a/docs/docs/verification/sg-neut-cwl_pr2nio4.py b/docs/docs/verification/sg-neut-cwl_pr2nio4.py
index 645a12ce3..8a9e2dbe8 100644
--- a/docs/docs/verification/sg-neut-cwl_pr2nio4.py
+++ b/docs/docs/verification/sg-neut-cwl_pr2nio4.py
@@ -1,18 +1,5 @@
 # %% [markdown]
 # # Pr₂NiO₄ — neutron single crystal, constant wavelength
-#
-# This page verifies the EasyDiffraction `cryspy` single-crystal
-# structure-factor calculation against **FullProf**, using the real
-# Pr₂NiO₄:Sr crystal-option refinement from
-# [cryspy issue #38](https://github.com/ikibalin/cryspy/issues/38). The
-# structure is built **in code**, the calculated F² of every reflection
-# is taken straight from the FullProf `.out` file, and the two are
-# overlaid on a y=x scatter — **without any fitting**. Single-crystal
-# Bragg calculations are supported by `cryspy` only, so `crysfml` and
-# FullProf-vs-`crysfml` panels are omitted here.
-#
-# The FullProf job is a **neutron** single-crystal refinement (Job = 1,
-# λ = 0.8302 Å with neutron scattering lengths).
 
 # %%
 import numpy as np
@@ -22,19 +9,6 @@
 from easydiffraction import StructureFactory
 from easydiffraction.analysis import verification as verify
 
-# %% [markdown]
-# ## Load the FullProf reference
-#
-# `load_fullprof_sc_f2calc` reads the integrated-intensity reflection
-# table from `prnio.out` and returns `F2cal` keyed by `(h, k, l)`.
-# FullProf reports `F2cal = scale · Corr · |F|²`; the extinction
-# correction here is below 0.11 %, so once the absolute scale convention
-# is refined out (below) this is effectively a pure `|F|²` comparison.
-
-# %%
-reference_dir = verify.bundled_reference_dir() / 'sg-neut-cwl_pr2nio4'
-f2calc = verify.load_fullprof_sc_f2calc(str(reference_dir / 'prnio.out'))
-
 # %% [markdown]
 # ## Build the project
 
@@ -43,18 +17,6 @@
 
 # %% [markdown]
 # ## Define the structure
-#
-# Pr₂NiO₄:Sr is a K₂NiF₄-type oxide in space group `F m m m`. Two
-# FullProf conventions are converted to the EasyDiffraction (CIF)
-# convention as the structure is built:
-#
-# - **Anisotropic ADPs.** FullProf stores the dimensionless β tensor;
-#   EasyDiffraction uses U (Ų). For the orthorhombic cell
-#   `U_ij = β_ij · aᵢ · aⱼ / (2π²)`, since `a*ᵢ = 1/aᵢ`.
-# - **Occupancies.** FullProf folds the F-centring into its occupancy,
-#   so its `Occ` equals the CIF site occupancy times the number of
-#   equivalent atoms per primitive cell (the site multiplicity divided
-#   by 4). The CIF occupancies below divide that factor back out.
 
 # %%
 structure = StructureFactory.from_scratch(name='pr2nio4')
@@ -105,13 +67,19 @@ def beta_to_u(beta: float, axis_i: int, axis_j: int) -> float:
 
 project.structures.add(structure)
 
+# %% [markdown]
+# ## Load the FullProf reference
+
+# %%
+FULLPROF_PROJECT_DIR = 'sg-neut-cwl_pr2nio4'
+FULLPROF_OUT_FILE = 'prnio.out'
+FULLPROF_SCALE = 0.06298  # FullProf Scale
+FULLPROF_WAVELENGTH = 0.8302  # FullProf Lambda
+
+f2calc = verify.load_fullprof_sc_f2calc(FULLPROF_PROJECT_DIR, FULLPROF_OUT_FILE)
+
 # %% [markdown]
 # ## Create the experiment
-#
-# `set_reference_reflections` creates one reflection per `(h, k, l)` in
-# the FullProf table, so `cryspy` calculates F² for exactly the same
-# set. The Becker–Coppens extinction left at its default is negligible
-# here, matching FullProf's sub-percent correction.
 
 # %%
 experiment = ExperimentFactory.from_scratch(
@@ -122,89 +90,55 @@ def beta_to_u(beta: float, axis_i: int, axis_j: int) -> float:
     scattering_type='bragg',
 )
 experiment.linked_crystal.id = 'pr2nio4'
-experiment.linked_crystal.scale = 0.06298  # FullProf Scale
-experiment.instrument.setup_wavelength = 0.8302  # FullProf Lambda
+experiment.linked_crystal.scale = FULLPROF_SCALE
+experiment.instrument.setup_wavelength = FULLPROF_WAVELENGTH
 verify.set_reference_reflections(experiment, f2calc)
 
 project.experiments.add(experiment)
 
 # %% [markdown]
-# ## Calculate the structure factors with cryspy
+# ## ed-cryspy VS FullProf
 
 # %%
 calc_ed_cryspy = verify.calculate_reflections(project, experiment, 'cryspy')
 reference, candidate = verify.align_reflections(f2calc, calc_ed_cryspy)
 
-# %% [markdown]
-# ## Compare cryspy against FullProf
-#
-# Each point is one reflection: FullProf F² on the x-axis, the cryspy F²
-# on the y-axis, at their absolute scale. Points fall on the y=x line
-# when the two calculations agree, with closeness metrics in the top-left
-# corner.
-
-# %%
 project.display.reflection_comparison(
     'pr2nio4',
     reference=reference,
     candidate=candidate,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (cryspy)',
-)
-
-# %% [markdown]
-# ## Agreement check
-#
-# cryspy reproduces the relative reflection intensities but at a
-# different absolute F² scale from FullProf's F2cal (which folds in
-# FullProf's refined scale), so the absolute comparison is reported here
-# (`raise_on_failure=False`) and the scale convention is investigated
-# below.
-
-# %%
-verify.assert_patterns_agree(
-    [
-        ('cryspy vs FullProf', reference, candidate),
-    ],
-    raise_on_failure=False,
+    candidate_label='ed-cryspy',
 )
 
 # %% [markdown]
-# ## Investigate the discrepancy by refinement
-#
-# Free **only** the scale and refine with cryspy, keeping the structure
-# fixed. If a scale-only fit brings the points onto the diagonal, the
-# difference is an absolute F²-scale convention, not a per-reflection
-# structure-factor disagreement.
+# ## Fit ed-cryspy to FullProf
 
 # %%
 experiment.calculator.type = 'cryspy'
-project.analysis.minimizer.type = 'lmfit'
-
 experiment.linked_crystal.scale.free = True
 
 project.analysis.fit()
-
-# %% [markdown]
-# ## Goodness of fit and refined parameters
-
-# %%
 project.display.fit.results()
 
-# %% [markdown]
-# ## Refined cryspy vs FullProf
-
-# %%
 calc_ed_cryspy_refined = verify.calculate_reflections(project, experiment, 'cryspy')
-reference_after, candidate_after = verify.align_reflections(f2calc, calc_ed_cryspy_refined)
+reference_refined, candidate_refined = verify.align_reflections(f2calc, calc_ed_cryspy_refined)
 
 project.display.reflection_comparison(
     'pr2nio4',
-    reference=reference_after,
-    candidate=candidate_after,
+    reference=reference_refined,
+    candidate=candidate_refined,
     reference_label='FullProf',
-    candidate_label='EasyDiffraction (cryspy, refined)',
+    candidate_label='ed-cryspy (refined)',
 )
 
+# %% [markdown]
+# ## Agreement check
+
 # %%
-verify.report_refinement_closeness(reference, candidate, candidate_after)
+verify.assert_patterns_agree(
+    [
+        ('cryspy vs FullProf', reference_refined, candidate_refined),
+    ],
+    raise_on_failure=False,
+)

From 6a5c95e33a3ec5605cdbc82121afd9236c266900 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 15:56:58 +0200
Subject: [PATCH 21/41] Show fit results and drop redundant calls in
 verification pages

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 docs/docs/verification/pd-neut-cwl_pv_lbco.ipynb             | 2 ++
 docs/docs/verification/pd-neut-cwl_pv_lbco.py                | 2 ++
 .../verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.ipynb | 5 +----
 .../verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.py    | 5 +----
 docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.ipynb  | 5 ++---
 docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.py     | 5 ++---
 docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb        | 5 ++---
 docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py           | 5 ++---
 docs/docs/verification/pd-neut-tof_j_si.ipynb                | 3 ++-
 docs/docs/verification/pd-neut-tof_j_si.py                   | 3 ++-
 docs/docs/verification/pd-neut-tof_jvd_si.ipynb              | 3 ++-
 docs/docs/verification/pd-neut-tof_jvd_si.py                 | 3 ++-
 12 files changed, 22 insertions(+), 24 deletions(-)

diff --git a/docs/docs/verification/pd-neut-cwl_pv_lbco.ipynb b/docs/docs/verification/pd-neut-cwl_pv_lbco.ipynb
index 1222f6bd3..d2e51b3ed 100644
--- a/docs/docs/verification/pd-neut-cwl_pv_lbco.ipynb
+++ b/docs/docs/verification/pd-neut-cwl_pv_lbco.ipynb
@@ -244,6 +244,8 @@
     "project.analysis.calculate()\n",
     "calc_ed_crysfml = experiment.data.intensity_calc\n",
     "\n",
+    "project.display.fit.results()\n",
+    "\n",
     "project.display.pattern_comparison(\n",
     "    'lbco',\n",
     "    reference=calc_fullprof,\n",
diff --git a/docs/docs/verification/pd-neut-cwl_pv_lbco.py b/docs/docs/verification/pd-neut-cwl_pv_lbco.py
index 0047b1c4d..1d7682d81 100644
--- a/docs/docs/verification/pd-neut-cwl_pv_lbco.py
+++ b/docs/docs/verification/pd-neut-cwl_pv_lbco.py
@@ -140,6 +140,8 @@
 project.analysis.calculate()
 calc_ed_crysfml = experiment.data.intensity_calc
 
+project.display.fit.results()
+
 project.display.pattern_comparison(
     'lbco',
     reference=calc_fullprof,
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.ipynb b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.ipynb
index 2442d0715..b6356a190 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.ipynb
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.ipynb
@@ -253,13 +253,10 @@
     "experiment.linked_phases['lab6'].scale.free = True\n",
     "experiment.instrument.calib_twotheta_offset.free = True\n",
     "\n",
-    "project.analysis.minimizer.type = 'lmfit'\n",
     "project.analysis.fit()\n",
-    "\n",
-    "experiment.calculator.type = 'crysfml'\n",
+    "project.display.fit.results()\n",
     "\n",
     "project.analysis.calculate()\n",
-    "\n",
     "calc_ed_crysfml_refined = experiment.data.intensity_calc\n",
     "\n",
     "project.display.pattern_comparison(\n",
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.py b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.py
index 390497438..3b242bac5 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.py
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.py
@@ -137,13 +137,10 @@
 experiment.linked_phases['lab6'].scale.free = True
 experiment.instrument.calib_twotheta_offset.free = True
 
-project.analysis.minimizer.type = 'lmfit'
 project.analysis.fit()
-
-experiment.calculator.type = 'crysfml'
+project.display.fit.results()
 
 project.analysis.calculate()
-
 calc_ed_crysfml_refined = experiment.data.intensity_calc
 
 project.display.pattern_comparison(
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.ipynb b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.ipynb
index 635ff0ae3..9cb39f457 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.ipynb
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.ipynb
@@ -228,10 +228,9 @@
     "experiment.instrument.calib_sample_displacement.free = True\n",
     "experiment.instrument.calib_sample_transparency.free = True\n",
     "\n",
-    "project.analysis.minimizer.type = 'lmfit'\n",
     "project.analysis.fit()\n",
+    "project.display.fit.results()\n",
     "\n",
-    "experiment.calculator.type = 'cryspy'\n",
     "project.analysis.calculate()\n",
     "calc_ed_cryspy_refined = experiment.data.intensity_calc\n",
     "\n",
@@ -306,8 +305,8 @@
     "experiment.instrument.calib_twotheta_offset.free = True\n",
     "\n",
     "project.analysis.fit()\n",
+    "project.display.fit.results()\n",
     "\n",
-    "experiment.calculator.type = 'crysfml'\n",
     "project.analysis.calculate()\n",
     "calc_ed_crysfml_refined = experiment.data.intensity_calc\n",
     "\n",
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.py b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.py
index 9c78d4e77..cf0aa0511 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.py
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj-noabs_lab6.py
@@ -124,10 +124,9 @@
 experiment.instrument.calib_sample_displacement.free = True
 experiment.instrument.calib_sample_transparency.free = True
 
-project.analysis.minimizer.type = 'lmfit'
 project.analysis.fit()
+project.display.fit.results()
 
-experiment.calculator.type = 'cryspy'
 project.analysis.calculate()
 calc_ed_cryspy_refined = experiment.data.intensity_calc
 
@@ -178,8 +177,8 @@
 experiment.instrument.calib_twotheta_offset.free = True
 
 project.analysis.fit()
+project.display.fit.results()
 
-experiment.calculator.type = 'crysfml'
 project.analysis.calculate()
 calc_ed_crysfml_refined = experiment.data.intensity_calc
 
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
index 007a4962c..f14b39dc3 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb
@@ -229,10 +229,9 @@
     "experiment.instrument.calib_sample_displacement.free = True\n",
     "experiment.instrument.calib_sample_transparency.free = True\n",
     "\n",
-    "project.analysis.minimizer.type = 'lmfit'\n",
     "project.analysis.fit()\n",
+    "project.display.fit.results()\n",
     "\n",
-    "experiment.calculator.type = 'cryspy'\n",
     "project.analysis.calculate()\n",
     "calc_ed_cryspy_refined = experiment.data.intensity_calc\n",
     "\n",
@@ -307,8 +306,8 @@
     "experiment.instrument.calib_twotheta_offset.free = True\n",
     "\n",
     "project.analysis.fit()\n",
+    "project.display.fit.results()\n",
     "\n",
-    "experiment.calculator.type = 'crysfml'\n",
     "project.analysis.calculate()\n",
     "calc_ed_crysfml_refined = experiment.data.intensity_calc\n",
     "\n",
diff --git a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
index 10e857ada..9d98b0008 100644
--- a/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
+++ b/docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py
@@ -125,10 +125,9 @@
 experiment.instrument.calib_sample_displacement.free = True
 experiment.instrument.calib_sample_transparency.free = True
 
-project.analysis.minimizer.type = 'lmfit'
 project.analysis.fit()
+project.display.fit.results()
 
-experiment.calculator.type = 'cryspy'
 project.analysis.calculate()
 calc_ed_cryspy_refined = experiment.data.intensity_calc
 
@@ -179,8 +178,8 @@
 experiment.instrument.calib_twotheta_offset.free = True
 
 project.analysis.fit()
+project.display.fit.results()
 
-experiment.calculator.type = 'crysfml'
 project.analysis.calculate()
 calc_ed_crysfml_refined = experiment.data.intensity_calc
 
diff --git a/docs/docs/verification/pd-neut-tof_j_si.ipynb b/docs/docs/verification/pd-neut-tof_j_si.ipynb
index 83c7e9381..18cc9c594 100644
--- a/docs/docs/verification/pd-neut-tof_j_si.ipynb
+++ b/docs/docs/verification/pd-neut-tof_j_si.ipynb
@@ -214,8 +214,8 @@
     "experiment.linked_phases['si'].scale = 15.1026\n",
     "experiment.linked_phases['si'].scale.free = True\n",
     "\n",
-    "project.analysis.minimizer.type = 'lmfit'\n",
     "project.analysis.fit()\n",
+    "project.display.fit.results()\n",
     "\n",
     "project.analysis.calculate()\n",
     "calc_ed_cryspy_refined = experiment.data.intensity_calc\n",
@@ -279,6 +279,7 @@
     "experiment.linked_phases['si'].scale.free = True\n",
     "\n",
     "project.analysis.fit()\n",
+    "project.display.fit.results()\n",
     "\n",
     "project.analysis.calculate()\n",
     "calc_ed_crysfml_refined = experiment.data.intensity_calc\n",
diff --git a/docs/docs/verification/pd-neut-tof_j_si.py b/docs/docs/verification/pd-neut-tof_j_si.py
index 3f1f56cf9..5da6ca326 100644
--- a/docs/docs/verification/pd-neut-tof_j_si.py
+++ b/docs/docs/verification/pd-neut-tof_j_si.py
@@ -110,8 +110,8 @@
 experiment.linked_phases['si'].scale = 15.1026
 experiment.linked_phases['si'].scale.free = True
 
-project.analysis.minimizer.type = 'lmfit'
 project.analysis.fit()
+project.display.fit.results()
 
 project.analysis.calculate()
 calc_ed_cryspy_refined = experiment.data.intensity_calc
@@ -151,6 +151,7 @@
 experiment.linked_phases['si'].scale.free = True
 
 project.analysis.fit()
+project.display.fit.results()
 
 project.analysis.calculate()
 calc_ed_crysfml_refined = experiment.data.intensity_calc
diff --git a/docs/docs/verification/pd-neut-tof_jvd_si.ipynb b/docs/docs/verification/pd-neut-tof_jvd_si.ipynb
index df68c31db..4139d8ba2 100644
--- a/docs/docs/verification/pd-neut-tof_jvd_si.ipynb
+++ b/docs/docs/verification/pd-neut-tof_jvd_si.ipynb
@@ -222,8 +222,8 @@
     "experiment.linked_phases['si'].scale.free = True\n",
     "experiment.peak.broad_lorentz_gamma_1.free = True\n",
     "\n",
-    "project.analysis.minimizer.type = 'lmfit'\n",
     "project.analysis.fit()\n",
+    "project.display.fit.results()\n",
     "\n",
     "project.analysis.calculate()\n",
     "calc_ed_cryspy_refined = experiment.data.intensity_calc\n",
@@ -289,6 +289,7 @@
     "experiment.linked_phases['si'].scale.free = True\n",
     "\n",
     "project.analysis.fit()\n",
+    "project.display.fit.results()\n",
     "\n",
     "project.analysis.calculate()\n",
     "calc_ed_crysfml_refined = experiment.data.intensity_calc\n",
diff --git a/docs/docs/verification/pd-neut-tof_jvd_si.py b/docs/docs/verification/pd-neut-tof_jvd_si.py
index 73b20b52e..2f5b02c01 100644
--- a/docs/docs/verification/pd-neut-tof_jvd_si.py
+++ b/docs/docs/verification/pd-neut-tof_jvd_si.py
@@ -118,8 +118,8 @@
 experiment.linked_phases['si'].scale.free = True
 experiment.peak.broad_lorentz_gamma_1.free = True
 
-project.analysis.minimizer.type = 'lmfit'
 project.analysis.fit()
+project.display.fit.results()
 
 project.analysis.calculate()
 calc_ed_cryspy_refined = experiment.data.intensity_calc
@@ -161,6 +161,7 @@
 experiment.linked_phases['si'].scale.free = True
 
 project.analysis.fit()
+project.display.fit.results()
 
 project.analysis.calculate()
 calc_ed_crysfml_refined = experiment.data.intensity_calc

From 0bc5419b72214a01c94ec3dbffb441cf98aab147 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 15:57:10 +0200
Subject: [PATCH 22/41] Apply formatting and lint fixes to analysis modules

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 src/easydiffraction/analysis/analysis.py      |  4 +-
 .../analysis/calculators/crysfml.py           |  3 +-
 src/easydiffraction/analysis/verification.py  | 42 ++++++++++---------
 3 files changed, 26 insertions(+), 23 deletions(-)

diff --git a/src/easydiffraction/analysis/analysis.py b/src/easydiffraction/analysis/analysis.py
index 6d82dda76..579665a57 100644
--- a/src/easydiffraction/analysis/analysis.py
+++ b/src/easydiffraction/analysis/analysis.py
@@ -1294,8 +1294,8 @@ def calculate(self) -> None:
         Refreshes the linked structures and each experiment so the
         calculated intensities (``experiment.data.intensity_calc``)
         reflect the current parameters and the selected calculation
-        engines. This is the non-fitting counterpart of :meth:`fit`: call
-        it after changing parameters or a calculator to update the
+        engines. This is the non-fitting counterpart of :meth:`fit`:
+        call it after changing parameters or a calculator to update the
         calculated pattern without running a minimization.
         """
         for structure in self.project.structures:
diff --git a/src/easydiffraction/analysis/calculators/crysfml.py b/src/easydiffraction/analysis/calculators/crysfml.py
index 790ed9d48..37d64ffb5 100644
--- a/src/easydiffraction/analysis/calculators/crysfml.py
+++ b/src/easydiffraction/analysis/calculators/crysfml.py
@@ -4,6 +4,7 @@
 
 from __future__ import annotations
 
+import string
 from typing import TYPE_CHECKING
 from typing import Any
 
@@ -89,7 +90,7 @@ def _element_symbol(type_symbol: str) -> str:
     str
         The symbol with any leading digits removed (e.g. ``B``).
     """
-    return type_symbol.lstrip('0123456789')
+    return type_symbol.lstrip(string.digits)
 
 
 @CalculatorFactory.register
diff --git a/src/easydiffraction/analysis/verification.py b/src/easydiffraction/analysis/verification.py
index 5235121c7..d215deff5 100644
--- a/src/easydiffraction/analysis/verification.py
+++ b/src/easydiffraction/analysis/verification.py
@@ -119,8 +119,8 @@ def load_fullprof_profile(project_dir: str, profile_file: str) -> tuple[np.ndarr
     """
     Load a FullProf ``.sub``/``.sim`` profile as ``(x, y)`` arrays.
 
-    Resolved inside the bundled reference directory, so the caller passes
-    the project sub-folder and the file name.
+    Resolved inside the bundled reference directory, so the caller
+    passes the project sub-folder and the file name.
 
     The first line holds ``min increment max`` followed by a comment;
     the x grid is reconstructed from that header and the remaining lines
@@ -282,7 +282,8 @@ def _parse_fullprof_background(path: str) -> tuple[np.ndarray, np.ndarray]:
     """
     Read ``(2θ, background)`` from a FullProf ``Ppl=2`` ``.bac`` file.
 
-    FullProf writes the ``.bac`` in one of two layouts, both handled here:
+    FullProf writes the ``.bac`` in one of two layouts, both handled
+    here:
 
     * **Two-column** — a ``!``-prefixed comment line followed by
       ``2Theta background`` rows.
@@ -364,25 +365,26 @@ def load_fullprof_calc_profile(
 
     The ``.prf`` (preferably the higher-precision ``Prf=2`` IGOR export)
     holds the calculated profile ``Icalc`` on the *corrected* 2θ grid —
-    the Zero/SyCos/SySin systematic peak-position shift is applied, so the
-    peaks sit at their observed positions. The ``Ppl=2`` ``.bac`` holds
-    the *real* background (the refined polynomial, not the display-shifted
-    ``Backg`` column the ``.prf`` carries) on the uncorrected 2θ grid.
-    Subtracting the background from ``Icalc`` gives the clean Bragg
-    profile, with no pedestal estimate.
-
-    Both files are resolved inside the bundled reference directory, so the
-    caller passes only the project sub-folder and the two file names. The
-    ``.bac`` 2θ omits the zero shift, so it is realigned onto the profile
-    axis by adding ``zero_shift`` (the FullProf ``Zero``) and interpolated
-    onto the profile grid before subtraction (the background is smooth, so
-    interpolation is lossless and ``Icalc`` is left exact).
+    the Zero/SyCos/SySin systematic peak-position shift is applied, so
+    the peaks sit at their observed positions. The ``Ppl=2`` ``.bac``
+    holds the *real* background (the refined polynomial, not the
+    display-shifted ``Backg`` column the ``.prf`` carries) on the
+    uncorrected 2θ grid. Subtracting the background from ``Icalc`` gives
+    the clean Bragg profile, with no pedestal estimate.
+
+    Both files are resolved inside the bundled reference directory, so
+    the caller passes only the project sub-folder and the two file
+    names. The ``.bac`` 2θ omits the zero shift, so it is realigned onto
+    the profile axis by adding ``zero_shift`` (the FullProf ``Zero``)
+    and interpolated onto the profile grid before subtraction (the
+    background is smooth, so interpolation is lossless and ``Icalc`` is
+    left exact).
 
     Parameters
     ----------
     project_dir : str
-        Reference sub-folder name (under the bundled reference directory)
-        holding the FullProf project files.
+        Reference sub-folder name (under the bundled reference
+        directory) holding the FullProf project files.
     profile_file : str
         File name of the FullProf calculated-profile ``.prf`` file.
     background_file : str
@@ -407,8 +409,8 @@ def load_fullprof_sc_f2calc(project_dir: str, out_file: str) -> dict[tuple[int,
     """
     Extract calculated F² per reflection from a FullProf SC output.
 
-    Resolved inside the bundled reference directory, so the caller passes
-    the project sub-folder and the file name.
+    Resolved inside the bundled reference directory, so the caller
+    passes the project sub-folder and the file name.
 
     Reads the integrated-intensity reflection table — the one whose
     header carries the ``F2obs`` and ``F2cal`` columns — and returns a

From 9325cbb24ed05cba7b1dca8c67223b0b4e5d8e6c Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 15:57:10 +0200
Subject: [PATCH 23/41] Register verification pages in nav and refine skip list

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 docs/docs/verification/ci_skip.txt | 6 ++++--
 docs/mkdocs.yml                    | 4 +++-
 2 files changed, 7 insertions(+), 3 deletions(-)

diff --git a/docs/docs/verification/ci_skip.txt b/docs/docs/verification/ci_skip.txt
index 8869f6498..8b9687a96 100644
--- a/docs/docs/verification/ci_skip.txt
+++ b/docs/docs/verification/ci_skip.txt
@@ -13,6 +13,8 @@
 # underlying issue is resolved.
 #
 # Example (do not leave commented examples as active entries):
-pd-neut-cwl_pv-asym_empir_pbso4  # Asymmetry params are different
-pd-neut-cwl_tch-fcj_lab6  # needs unreleased cryspy PR #46 (SyCos/SySin); residual TCH/FCJ profile diff
+pd-neut-cwl_pv-asym_empir_pbso4  # Asymmetry params are different. Empirical asymmetry is not in ed-crysfml
+pd-neut-cwl_tch-fcj-noabs-nosldl_lab6  # needs unreleased cryspy PR #46 (SyCos/SySin, cos2theta convention)
+pd-neut-cwl_tch-fcj-noabs_lab6  # FCJ asymmetry (S_L/D_L) not implemented in cryspy; see issues/open.md
+pd-neut-cwl_tch-fcj_lab6  # unmodelled sample absorption (muR=0.7, HEWAT) + FCJ asymmetry; see issues/open.md
 pd-neut-tof_jvd_si  # cryspy TOF Lorentzian discrepancy; see issues/open.md
diff --git a/docs/mkdocs.yml b/docs/mkdocs.yml
index 9090d540c..17d27917c 100644
--- a/docs/mkdocs.yml
+++ b/docs/mkdocs.yml
@@ -255,7 +255,9 @@ nav:
           - LBCO: verification/pd-neut-cwl_pv_lbco.ipynb
           - PbSO4 (pseudo-Voigt): verification/pd-neut-cwl_pv_pbso4.ipynb
           - PbSO4 (empirical asymmetry): verification/pd-neut-cwl_pv-asym_empir_pbso4.ipynb
-          - LaB6: verification/pd-neut-cwl_tch-fcj_lab6.ipynb
+          - LaB6 (SyCos/SySin): verification/pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.ipynb
+          - LaB6 (FCJ asymmetry): verification/pd-neut-cwl_tch-fcj-noabs_lab6.ipynb
+          - LaB6 (absorption): verification/pd-neut-cwl_tch-fcj_lab6.ipynb
       - Powder, neutron, time-of-flight:
           - Si: verification/pd-neut-tof_jvd_si.ipynb
           - NaCaAlF: verification/pd-neut-tof_jvd_ncaf.ipynb

From 132e85e4c3be5879e06dc414bb4d97c91103f3e8 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 16:05:05 +0200
Subject: [PATCH 24/41] Reflow SyCos correction comment to line-length limit

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 src/easydiffraction/analysis/calculators/cryspy.py | 13 +++++++------
 1 file changed, 7 insertions(+), 6 deletions(-)

diff --git a/src/easydiffraction/analysis/calculators/cryspy.py b/src/easydiffraction/analysis/calculators/cryspy.py
index 1c1cd7fd7..94a9259c4 100644
--- a/src/easydiffraction/analysis/calculators/cryspy.py
+++ b/src/easydiffraction/analysis/calculators/cryspy.py
@@ -647,12 +647,13 @@ def _update_experiment_in_cryspy_dict(
                 )
                 cryspy_expt_dict['wavelength'][0] = experiment.instrument.setup_wavelength.value
 
-                # Sample-displacement (SyCos) and transparency (SySin)
-                # peak-position corrections (cryspy PR #46). cryspy
-                # applies numpy.radians() to these internally, so the
-                # dict stores plain degrees here (unlike offset_ttheta,
-                # which is pre-converted to radians). The keys are absent
-                # on cryspy releases without PR #46, so guard before set.
+                # Sample-displacement (SyCos) and transparency
+                # (SySin) peak-position corrections (cryspy PR #46).
+                # cryspy applies numpy.radians() to these internally,
+                # so the dict stores plain degrees here (unlike
+                # offset_ttheta, which is pre-converted to radians).
+                # The keys are absent on cryspy releases without PR
+                # #46, so guard before each set.
                 if 'offset_sycos' in cryspy_expt_dict:
                     cryspy_expt_dict['offset_sycos'][0] = (
                         experiment.instrument.calib_sample_displacement.value

From bdbf73d1fca3135d5d1343f273914e259263cd69 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 16:05:06 +0200
Subject: [PATCH 25/41] Refactor FullProf loaders to satisfy complexity and
 lint

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 src/easydiffraction/analysis/verification.py | 203 +++++++++++--------
 1 file changed, 118 insertions(+), 85 deletions(-)

diff --git a/src/easydiffraction/analysis/verification.py b/src/easydiffraction/analysis/verification.py
index d215deff5..fc8c8007f 100644
--- a/src/easydiffraction/analysis/verification.py
+++ b/src/easydiffraction/analysis/verification.py
@@ -32,12 +32,14 @@
 # columns: h, k, l, ivk, cod, F2obs, F2cal.
 _MIN_SC_F2CAL_COLUMNS = 7
 
-# A FullProf ``.prf`` profile data row (Prf=-3 format) has exactly these
-# columns: 2Theta, Yobs, Ycal, Yobs-Ycal, Backg. Reflection-marker rows
-# carry a trailing ``(h k l)`` and more columns, so they are skipped. The
-# calculated intensity is column 2 (Ycal).
+# A FullProf ``.prf`` profile data row (Prf=-3 format) has exactly
+# these columns: 2Theta, Yobs, Ycal, Yobs-Ycal, Backg. Reflection-
+# marker rows carry a trailing ``(h k l)`` and more columns, so they
+# are skipped. The calculated intensity is column 2 (Ycal).
 _PRF_PROFILE_COLUMNS = 5
 _PRF_YCALC_COLUMN = 2
+# A two-column ``.bac`` background row holds ``2Theta background``.
+_BAC_MIN_COLUMNS = 2
 
 # A FullProf ``Prf=2`` IGOR profile row has columns TwoTheta, Iobs,
 # Icalc, Diff under a ``BEGIN``/``END`` block; the calculated intensity
@@ -130,8 +132,11 @@ def load_fullprof_profile(project_dir: str, profile_file: str) -> tuple[np.ndarr
 
     Parameters
     ----------
-    path : str
-        Path to the FullProf ``.sub`` or ``.sim`` file.
+    project_dir : str
+        Reference sub-folder name (under the bundled reference
+        directory) holding the FullProf project files.
+    profile_file : str
+        File name of the FullProf ``.sub`` or ``.sim`` profile file.
 
     Returns
     -------
@@ -189,8 +194,11 @@ def load_columned_profile(
 
     Parameters
     ----------
-    path : str
-        Path to the column-formatted file.
+    project_dir : str
+        Reference sub-folder name (under the bundled reference
+        directory) holding the FullProf project files.
+    profile_file : str
+        File name of the column-formatted reference file.
     skip_rows : int, default=1
         Number of header rows to skip.
     columns : tuple[int, int], default=(0, 1)
@@ -209,6 +217,52 @@ def load_columned_profile(
     return x, y
 
 
+def _parse_igor_profile(lines: list[str]) -> tuple[list[float], list[float]]:
+    """Parse the ``Prf=2`` IGOR ``BEGIN``/``END`` profile block."""
+    two_theta: list[float] = []
+    icalc: list[float] = []
+    started = False
+    for line in lines:
+        text = line.strip()
+        if text == 'BEGIN':
+            started = True
+            continue
+        if text == 'END':
+            break
+        fields = text.split()
+        if not started or len(fields) < _IGOR_MIN_COLUMNS:
+            continue
+        try:
+            row = (float(fields[0]), float(fields[_IGOR_ICALC_COLUMN]))
+        except ValueError:
+            continue
+        two_theta.append(row[0])
+        icalc.append(row[1])
+    return two_theta, icalc
+
+
+def _parse_tabbed_profile(lines: list[str], path: str) -> tuple[list[float], list[float]]:
+    """Parse the tab-separated ``Prf=-3`` profile table."""
+    header_index = next(
+        (index for index, line in enumerate(lines) if line.lstrip().startswith('2Theta')),
+        None,
+    )
+    if header_index is None:
+        msg = f'FullProf profile {path}: no "2Theta" header or IGOR block found.'
+        raise ValueError(msg)
+    two_theta: list[float] = []
+    icalc: list[float] = []
+    for line in lines[header_index + 1 :]:
+        if '(' in line:  # reflection-marker row
+            continue
+        fields = line.split()
+        if len(fields) != _PRF_PROFILE_COLUMNS:
+            continue
+        two_theta.append(float(fields[0]))
+        icalc.append(float(fields[_PRF_YCALC_COLUMN]))
+    return two_theta, icalc
+
+
 def _parse_fullprof_calc_profile(path: str) -> tuple[np.ndarray, np.ndarray]:
     """
     Read ``(2θ, Icalc)`` from a FullProf calculated-profile export.
@@ -235,49 +289,58 @@ def _parse_fullprof_calc_profile(path: str) -> tuple[np.ndarray, np.ndarray]:
         If no profile data rows are found.
     """
     lines = Path(path).read_text(encoding='utf-8').splitlines()
-    two_theta: list[float] = []
-    icalc: list[float] = []
     is_igor = any('IGOR' in line.upper() for line in lines[:3])
     if is_igor:
-        started = False
-        for line in lines:
-            token = line.strip()
-            if token == 'BEGIN':
-                started = True
-                continue
-            if token == 'END':
-                break
-            fields = token.split()
-            if not started or len(fields) < _IGOR_MIN_COLUMNS:
-                continue
-            try:
-                values = (float(fields[0]), float(fields[_IGOR_ICALC_COLUMN]))
-            except ValueError:
-                continue
-            two_theta.append(values[0])
-            icalc.append(values[1])
+        two_theta, icalc = _parse_igor_profile(lines)
     else:
-        header_index = next(
-            (index for index, line in enumerate(lines) if line.lstrip().startswith('2Theta')),
-            None,
-        )
-        if header_index is None:
-            msg = f'FullProf profile {path}: no "2Theta" header or IGOR block found.'
-            raise ValueError(msg)
-        for line in lines[header_index + 1 :]:
-            if '(' in line:  # reflection-marker row
-                continue
-            fields = line.split()
-            if len(fields) != _PRF_PROFILE_COLUMNS:
-                continue
-            two_theta.append(float(fields[0]))
-            icalc.append(float(fields[_PRF_YCALC_COLUMN]))
+        two_theta, icalc = _parse_tabbed_profile(lines, path)
     if not two_theta:
         msg = f'FullProf profile {path}: no calculated-profile data rows found.'
         raise ValueError(msg)
     return np.asarray(two_theta), np.asarray(icalc)
 
 
+def _parse_array_background(lines: list[str], path: str) -> tuple[np.ndarray, np.ndarray]:
+    """Parse the ``.sub``-style header + flat-array ``.bac`` layout."""
+    x_min, x_step, _x_max = _parse_fullprof_header(lines[0])
+    background: list[float] = []
+    for line in lines[1:]:
+        for text in line.split():
+            try:
+                background.append(float(text))
+            except ValueError:
+                break  # trailing non-numeric text ends the row
+    if not background:
+        msg = f'FullProf .bac {path}: no background values after the header.'
+        raise ValueError(msg)
+    y = np.asarray(background)
+    x = x_min + x_step * np.arange(y.size)
+    return x, y
+
+
+def _parse_columned_background(lines: list[str], path: str) -> tuple[np.ndarray, np.ndarray]:
+    """Parse the two-column ``2Theta background`` ``.bac`` layout."""
+    two_theta: list[float] = []
+    column_background: list[float] = []
+    for line in lines:
+        text = line.strip()
+        if text.startswith('!'):
+            continue
+        fields = text.split()
+        if len(fields) < _BAC_MIN_COLUMNS:
+            continue
+        try:
+            row = (float(fields[0]), float(fields[1]))
+        except ValueError:
+            continue
+        two_theta.append(row[0])
+        column_background.append(row[1])
+    if not two_theta:
+        msg = f'FullProf .bac {path}: no background data rows found.'
+        raise ValueError(msg)
+    return np.asarray(two_theta), np.asarray(column_background)
+
+
 def _parse_fullprof_background(path: str) -> tuple[np.ndarray, np.ndarray]:
     """
     Read ``(2θ, background)`` from a FullProf ``Ppl=2`` ``.bac`` file.
@@ -287,10 +350,10 @@ def _parse_fullprof_background(path: str) -> tuple[np.ndarray, np.ndarray]:
 
     * **Two-column** — a ``!``-prefixed comment line followed by
       ``2Theta background`` rows.
-    * **Header + array** — a ``min step max`` header line (``.sub``-style,
-      with a trailing ``Background of: …`` label) followed by the
-      background values as a flat array (several per row); the 2θ grid is
-      reconstructed from the header.
+    * **Header + array** — a ``min step max`` header line
+      (``.sub``-style, with a trailing ``Background of: …`` label)
+      followed by the background values as a flat array (several per
+      row); the 2θ grid is reconstructed from the header.
 
     In both layouts the 2θ axis omits the zero shift, so the caller
     realigns it onto the profile axis.
@@ -314,44 +377,11 @@ def _parse_fullprof_background(path: str) -> tuple[np.ndarray, np.ndarray]:
     if not lines:
         msg = f'FullProf .bac {path}: file is empty.'
         raise ValueError(msg)
-
     if not lines[0].lstrip().startswith('!'):
-        # Header + flat-array layout: first line is ``min step max <label>``.
-        x_min, x_step, _x_max = _parse_fullprof_header(lines[0])
-        background: list[float] = []
-        for line in lines[1:]:
-            for token in line.split():
-                try:
-                    background.append(float(token))
-                except ValueError:
-                    break  # trailing non-numeric text ends the row
-        if not background:
-            msg = f'FullProf .bac {path}: no background values after the header.'
-            raise ValueError(msg)
-        y = np.asarray(background)
-        x = x_min + x_step * np.arange(y.size)
-        return x, y
-
-    # Two-column ``2Theta background`` layout under ``!`` comment lines.
-    two_theta: list[float] = []
-    column_background: list[float] = []
-    for line in lines:
-        token = line.strip()
-        if token.startswith('!'):
-            continue
-        fields = token.split()
-        if len(fields) < 2:
-            continue
-        try:
-            values = (float(fields[0]), float(fields[1]))
-        except ValueError:
-            continue
-        two_theta.append(values[0])
-        column_background.append(values[1])
-    if not two_theta:
-        msg = f'FullProf .bac {path}: no background data rows found.'
-        raise ValueError(msg)
-    return np.asarray(two_theta), np.asarray(column_background)
+        # Header + flat-array layout (``.sub``-style ``min step max``).
+        return _parse_array_background(lines, path)
+    # Two-column ``2Theta background`` layout under ``!`` comments.
+    return _parse_columned_background(lines, path)
 
 
 def load_fullprof_calc_profile(
@@ -421,8 +451,11 @@ def load_fullprof_sc_f2calc(project_dir: str, out_file: str) -> dict[tuple[int,
 
     Parameters
     ----------
-    path : str
-        Path to the FullProf single-crystal ``.out`` file.
+    project_dir : str
+        Reference sub-folder name (under the bundled reference
+        directory) holding the FullProf project files.
+    out_file : str
+        File name of the FullProf single-crystal ``.out`` file.
 
     Returns
     -------

From 1d745a006a6b2decd136f11ed870b1ef58be5dcf Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 16:05:06 +0200
Subject: [PATCH 26/41] Apply pixi run fix auto-fixes

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 .../suggestions/lazy-pattern-recalculation.md |  43 +--
 docs/dev/issues/open.md                       |   7 +-
 .../cwl-sample-displacement-transparency.md   | 263 +++++++++---------
 3 files changed, 160 insertions(+), 153 deletions(-)

diff --git a/docs/dev/adrs/suggestions/lazy-pattern-recalculation.md b/docs/dev/adrs/suggestions/lazy-pattern-recalculation.md
index fe61b0fd8..8911f7208 100644
--- a/docs/dev/adrs/suggestions/lazy-pattern-recalculation.md
+++ b/docs/dev/adrs/suggestions/lazy-pattern-recalculation.md
@@ -17,13 +17,15 @@ Core model.
 The calculated pattern of an experiment is exposed through the data
 category as plain array properties — `intensity_calc`, `intensity_bkg`,
 and the related totals — each built on access from the stored per-point
-descriptors (for example `np.fromiter(p.intensity_calc.value for p in
-_calc_items)`). Those stored values are only refreshed when something
-calls `_update_categories()`: today that happens inside `fit()`, the new
+descriptors (for example
+`np.fromiter(p.intensity_calc.value for p in _calc_items)`). Those
+stored values are only refreshed when something calls
+`_update_categories()`: today that happens inside `fit()`, the new
 `project.analysis.calculate()`, `as_cif`, and `display.pattern()`.
 
 As a consequence, reading a computed array directly after changing a
-model parameter returns **stale** values until the next explicit trigger:
+model parameter returns **stale** values until the next explicit
+trigger:
 
 ```python
 experiment.cell.length_a = 4.20      # model changed
@@ -49,16 +51,16 @@ Introduce a per-experiment **dirty flag** for the calculated pattern:
   constraints, aliases — marks the owning experiment's pattern dirty.
 - The **first** access to any computed array in the data category
   (`intensity_calc`, `intensity_bkg`, totals, …) while the experiment is
-  dirty triggers a single full pattern recalculation, caches all computed
-  arrays, and clears the dirty flag.
+  dirty triggers a single full pattern recalculation, caches all
+  computed arrays, and clears the dirty flag.
 - **Subsequent** accesses to any computed array return the cached result
   with no recalculation, until the next parameter change re-marks the
   pattern dirty.
 
 The compute-once-per-change rule is the core requirement: needing both
-the calculated points and the background points (two array reads from the
-same data category) must trigger **one** recalculation, not two — only
-the first read after a change recomputes.
+the calculated points and the background points (two array reads from
+the same data category) must trigger **one** recalculation, not two —
+only the first read after a change recomputes.
 
 `project.analysis.calculate()` remains available as an explicit trigger
 (and the explicit name documented in tutorials), but becomes optional:
@@ -66,24 +68,25 @@ reading a computed array is always fresh on its own.
 
 ## Consequences
 
-- Reading a computed array always reflects the current model; no explicit
-  `calculate()` call is required.
+- Reading a computed array always reflects the current model; no
+  explicit `calculate()` call is required.
 - Robust dirty propagation is mandatory and is the hard part: **every**
   pattern-affecting setter across structure, experiment, instrument,
   peak, linked phases, constraints, and aliases must flip the flag. A
-  missed setter yields silently stale results — the worst failure mode in
-  a refinement tool — while over-flagging recomputes too often.
-- A property getter can now trigger an expensive diffraction calculation;
-  the per-change caching above keeps repeated reads cheap, but the cache
-  must stay coherent with the calculators' own internal caching.
+  missed setter yields silently stale results — the worst failure mode
+  in a refinement tool — while over-flagging recomputes too often.
+- A property getter can now trigger an expensive diffraction
+  calculation; the per-change caching above keeps repeated reads cheap,
+  but the cache must stay coherent with the calculators' own internal
+  caching.
 - Structure changes are shared across experiments through linked phases,
   so a structure edit must mark every linked experiment dirty.
 
 ## Alternatives Considered
 
 - **Explicit `project.analysis.calculate()` (current).** Simple,
-  predictable, and consistent with `fit()`, but the user must remember to
-  call it before reading the raw array. Kept regardless of this ADR.
+  predictable, and consistent with `fit()`, but the user must remember
+  to call it before reading the raw array. Kept regardless of this ADR.
 - **Recompute on every array access (no caching).** Removes the dirty
   flag but recomputes redundantly when several arrays are read in
   sequence (calculated points then background) — too expensive.
@@ -92,8 +95,8 @@ reading a computed array is always fresh on its own.
 ## Deferred Work / Open Questions
 
 - Where the dirty flag lives and how setters reach it: a hook on the
-  `Parameter`/descriptor base that notifies its owning experiment, versus
-  category-level invalidation.
+  `Parameter`/descriptor base that notifies its owning experiment,
+  versus category-level invalidation.
 - Granularity: a single per-experiment pattern-dirty flag versus
   finer-grained invalidation (for example structure-factor vs profile
   terms).
diff --git a/docs/dev/issues/open.md b/docs/dev/issues/open.md
index 0470b40ad..15e473d7b 100644
--- a/docs/dev/issues/open.md
+++ b/docs/dev/issues/open.md
@@ -18,7 +18,7 @@ The calculators (`cryspy`, `crysfml`) apply no sample-absorption
 correction. For a cylindrical sample in Debye–Scherrer geometry this is
 an angle-dependent intensity factor that boosts high-angle peaks. The
 LaB₆ verification reference (`pd-neut-cwl_tch-fcj_lab6`) was refined in
-FullProf with `μR = 0.7`; the unmodelled correction is the *entire*
+FullProf with `μR = 0.7`; the unmodelled correction is the _entire_
 intensity residual on the companion `pd-neut-cwl_tch-fcj_abs_lab6` page
 (≈5% profile difference), while the `μR = 0` page passes to corr 0.9999.
 
@@ -47,12 +47,13 @@ preferable.
 
 **References:**
 
-- A. W. Hewat, *Acta Cryst.* A35 (1979) 248 — cylindrical absorption.
+- A. W. Hewat, _Acta Cryst._ A35 (1979) 248 — cylindrical absorption.
 - N. N. Lobanov & L. Alte da Veiga, 6th EPDIC, Abstract P12-16 (1998).
 - CrysFML08:
   [`Src/CFML_Powder/Pow_Lorentz_Absorption.f90`](https://code.ill.fr/scientific-software/CrysFML2008/-/blob/master/Src/CFML_Powder/Pow_Lorentz_Absorption.f90),
   `Lorentz_abs_CW`.
-- FullProf `μR`: `.pcr` Lambda line field 7; `iabscor = 2` selects HEWAT.
+- FullProf `μR`: `.pcr` Lambda line field 7; `iabscor = 2` selects
+  HEWAT.
 
 **Depends on:** adding a `μR` instrument parameter.
 
diff --git a/docs/dev/plans/cwl-sample-displacement-transparency.md b/docs/dev/plans/cwl-sample-displacement-transparency.md
index ceaadf24a..cdb34c1a3 100644
--- a/docs/dev/plans/cwl-sample-displacement-transparency.md
+++ b/docs/dev/plans/cwl-sample-displacement-transparency.md
@@ -14,24 +14,24 @@ Governing conventions: [`AGENTS.md`](../../../AGENTS.md).
 - **Dependency timing.** The feature depends on unreleased cryspy
   functionality (PR #46). Phase 2 verification of the cryspy path can
   only pass against a locally patched cryspy until that PR ships in a
-  released version. See *Decisions → cryspy dependency* and the
-  *Testing against unreleased cryspy* section.
+  released version. See _Decisions → cryspy dependency_ and the _Testing
+  against unreleased cryspy_ section.
 
 ---
 
 ## Goal
 
 Add two FullProf-style systematic peak-position corrections to the
-constant-wavelength powder instrument so the
-`pd-neut-cwl_tch-fcj_lab6` verification page can be completed:
+constant-wavelength powder instrument so the `pd-neut-cwl_tch-fcj_lab6`
+verification page can be completed:
 
-| User-facing API                                   | FullProf | cryspy CIF / dict key            | Physical effect              | 2θ shift term      |
-| ------------------------------------------------- | -------- | -------------------------------- | ---------------------------- | ------------------ |
-| `experiment.instrument.calib_sample_displacement` | `SyCos`  | `_setup_offset_SyCos` / `offset_sycos` | Specimen displacement | ∝ cos(θ) = cos(½·2θ) |
-| `experiment.instrument.calib_sample_transparency` | `SySin`  | `_setup_offset_SySin` / `offset_sysin` | Sample transparency/absorption | ∝ sin(2θ)     |
+| User-facing API                                   | FullProf | cryspy CIF / dict key                  | Physical effect                | 2θ shift term        |
+| ------------------------------------------------- | -------- | -------------------------------------- | ------------------------------ | -------------------- |
+| `experiment.instrument.calib_sample_displacement` | `SyCos`  | `_setup_offset_SyCos` / `offset_sycos` | Specimen displacement          | ∝ cos(θ) = cos(½·2θ) |
+| `experiment.instrument.calib_sample_transparency` | `SySin`  | `_setup_offset_SySin` / `offset_sysin` | Sample transparency/absorption | ∝ sin(2θ)            |
 
-These join the existing `calib_twotheta_offset` (FullProf `Zero`,
-cryspy `offset_ttheta`) as the third and fourth `calib_*` corrections on
+These join the existing `calib_twotheta_offset` (FullProf `Zero`, cryspy
+`offset_ttheta`) as the third and fourth `calib_*` corrections on
 `CwlPdInstrument`.
 
 cryspy applies all three together
@@ -69,18 +69,18 @@ getter/setter + `CifHandler` pattern used by `calib_twotheta_offset`
 switchable-category wiring, or datablock. It does extend CIF
 serialisation toward the cryspy backend, but only by adding rows to the
 existing CWL-powder instrument mapping, which the
-[`factory-contracts.md`](../adrs/accepted/factory-contracts.md)
-and existing instrument design already cover. Per AGENTS.md
-§Change Discipline, the relevant accepted ADRs were reviewed; none
-constrains this change beyond the existing pattern.
+[`factory-contracts.md`](../adrs/accepted/factory-contracts.md) and
+existing instrument design already cover. Per AGENTS.md §Change
+Discipline, the relevant accepted ADRs were reviewed; none constrains
+this change beyond the existing pattern.
 
 ## Decisions
 
 - **Scope: CWL powder only.** The corrections are defined only for
   constant-wavelength powder diffraction (cryspy restricts them to that
-  geometry). Add the two parameters to `CwlPdInstrument` (the
-  `cwl-pd` instrument), **not** to `CwlInstrumentBase` (which is shared
-  with the single-crystal `cwl-sc` instrument) and **not** to TOF.
+  geometry). Add the two parameters to `CwlPdInstrument` (the `cwl-pd`
+  instrument), **not** to `CwlInstrumentBase` (which is shared with the
+  single-crystal `cwl-sc` instrument) and **not** to TOF.
 - **CIF handler names.** Follow the existing `_instr.*` local
   convention: `_instr.sample_displacement` and
   `_instr.sample_transparency` (mirroring `_instr.2theta_offset`).
@@ -99,42 +99,42 @@ constrains this change beyond the existing pattern.
   `[0]`-indexed access, so the new keys are expected to as well — verify
   before committing.
 - **crysfml: no support.** crysfml has no SyCos/SySin equivalent. Do
-  **not** add rows to `_INSTRUMENT_ATTRIBUTE_MAP` in
-  `crysfml.py`; `_copy_present_values` silently skips unmapped
-  attributes, so crysfml keeps ignoring the corrections. The notebook
-  already documents that crysfml will retain a systematic offset; this
-  is expected and acceptable. (Optionally add a one-line code comment
-  noting SyCos/SySin are intentionally unmapped for crysfml.)
+  **not** add rows to `_INSTRUMENT_ATTRIBUTE_MAP` in `crysfml.py`;
+  `_copy_present_values` silently skips unmapped attributes, so crysfml
+  keeps ignoring the corrections. The notebook already documents that
+  crysfml will retain a systematic offset; this is expected and
+  acceptable. (Optionally add a one-line code comment noting SyCos/SySin
+  are intentionally unmapped for crysfml.)
 - **cryspy dependency.** Do **not** bump the `cryspy` pin in
   `pyproject.toml` in this plan: PR #46 is unreleased. The library code
-  is written so that, with current released cryspy (0.11.0), the new
-  CIF rows are simply ignored / the dict keys fall back to `0.0`
+  is written so that, with current released cryspy (0.11.0), the new CIF
+  rows are simply ignored / the dict keys fall back to `0.0`
   (`dict_pd.get("offset_sycos", 0.0)`), so nothing breaks. The cryspy
   path of the notebook only matches FullProf once cryspy ships PR #46.
   When that release exists, a **follow-up change** bumps the pin and
-  un-skips the page. This plan does not add a dependency under
-  AGENTS.md §Architecture (no pin change), so no dependency approval is
-  needed here.
+  un-skips the page. This plan does not add a dependency under AGENTS.md
+  §Architecture (no pin change), so no dependency approval is needed
+  here.
 - **Verification page un-skip is deferred.** Keep
   `pd-neut-cwl_tch-fcj_lab6` in `docs/docs/verification/ci_skip.txt`
   until a released cryspy supports the corrections. The notebook's two
-  commented `calib_*` lines get uncommented (P1.5) so the page is
-  ready, but it stays CI-skipped because the released engine still
-  differs. Note: the page is also skipped for `11B` scattering and
-  TCH/FCJ reasons per the current `ci_skip.txt` comment, which are
-  independent of this change.
+  commented `calib_*` lines get uncommented (P1.5) so the page is ready,
+  but it stays CI-skipped because the released engine still differs.
+  Note: the page is also skipped for `11B` scattering and TCH/FCJ
+  reasons per the current `ci_skip.txt` comment, which are independent
+  of this change.
 
 ## Open questions
 
 1. **Sign/convention of the FullProf values.** Does
-   `calib_sample_displacement = 0.05395` / `calib_sample_transparency =
-   0.09127` reproduce FullProf directly, or is a sign flip / scale
-   needed (as happened conceptually with `Zero`)? Resolve empirically in
-   P1.5 against a PR-#46 cryspy; record the final notebook values and
-   any adjustment in a code/notebook comment.
-2. **cryspy dict key array shape.** Confirm `offset_sycos`/`offset_sysin`
-   are `[0]`-indexed arrays in the built dict (expected, matching
-   `offset_ttheta`). Resolved during P1.3.
+   `calib_sample_displacement = 0.05395` /
+   `calib_sample_transparency = 0.09127` reproduce FullProf directly, or
+   is a sign flip / scale needed (as happened conceptually with `Zero`)?
+   Resolve empirically in P1.5 against a PR-#46 cryspy; record the final
+   notebook values and any adjustment in a code/notebook comment.
+2. **cryspy dict key array shape.** Confirm
+   `offset_sycos`/`offset_sysin` are `[0]`-indexed arrays in the built
+   dict (expected, matching `offset_ttheta`). Resolved during P1.3.
 3. **Released cryspy version string.** The exact released version that
    first contains PR #46 is unknown today; the pin bump + un-skip is a
    deferred follow-up, not part of this plan.
@@ -164,6 +164,7 @@ pixi install            # or: .pixi/envs/default/bin/python -m pip install --no-
 ```
 
 Notes:
+
 - `<pr-46-branch>` is the head branch of
   https://github.com/ikibalin/cryspy/pull/46 — confirm the exact branch
   name on the PR page before cloning.
@@ -181,26 +182,26 @@ Notes:
 Source (Phase 1):
 
 - `src/easydiffraction/datablocks/experiment/categories/instrument/cwl.py`
-  — add two `Parameter`s + getter/setter properties to `CwlPdInstrument`.
-- `src/easydiffraction/analysis/calculators/cryspy.py`
-  — `_cif_instrument_section` (CWL-powder mapping) and
+  — add two `Parameter`s + getter/setter properties to
+  `CwlPdInstrument`.
+- `src/easydiffraction/analysis/calculators/cryspy.py` —
+  `_cif_instrument_section` (CWL-powder mapping) and
   `_update_experiment_in_cryspy_dict` (CWL-powder branch).
-- `src/easydiffraction/analysis/calculators/crysfml.py`
-  — comment only (intentionally unmapped); no functional change.
-- `docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py`
-  — uncomment the two `calib_*` lines using the new names; regenerate
-  the notebook with `pixi run notebook-prepare`.
+- `src/easydiffraction/analysis/calculators/crysfml.py` — comment only
+  (intentionally unmapped); no functional change.
+- `docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py` — uncomment the
+  two `calib_*` lines using the new names; regenerate the notebook with
+  `pixi run notebook-prepare`.
 
 Tests (Phase 2):
 
 - `tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_cwl.py`
   — assert the two new parameters are settable and carry correct
   defaults/units/CIF names.
-- A cryspy-calculator unit test (new
-  `test_cryspy_coverage.py` or extend an existing calculator test)
-  asserting the emitted CIF contains `_setup_offset_SyCos` /
-  `_setup_offset_SySin` with the set values, and that
-  `_update_experiment_in_cryspy_dict` writes `offset_sycos`/
+- A cryspy-calculator unit test (new `test_cryspy_coverage.py` or extend
+  an existing calculator test) asserting the emitted CIF contains
+  `_setup_offset_SyCos` / `_setup_offset_SySin` with the set values, and
+  that `_update_experiment_in_cryspy_dict` writes `offset_sycos`/
   `offset_sysin` into a stub dict. No real engine.
 
 Docs / structure (auto-generated, do not hand-edit):
@@ -216,67 +217,67 @@ Docs / structure (auto-generated, do not hand-edit):
 > message. Commit locally before moving to the next step. Do not run
 > tests or `pixi run check` in Phase 1.
 
-- [x] **P1.1 — Add the two parameters to `CwlPdInstrument`.**
-  In `cwl.py`, inside `CwlPdInstrument.__init__`, add
-  `self._calib_sample_displacement` and
-  `self._calib_sample_transparency` `Parameter`s modeled on
-  `_calib_twotheta_offset`: `name='sample_displacement'` /
-  `'sample_transparency'`, descriptive `description`, `units='degrees'`,
-  `DisplayHandler` (display names "Sample displacement" / "Sample
-  transparency", `display_units='deg'`, sensible LaTeX), default `0.0`,
-  `RangeValidator()`, and `CifHandler(names=['_instr.sample_displacement'])`
-  / `['_instr.sample_transparency']`. Add the matching getter +
-  setter properties (numpy-style one-line ≤72-char docstrings).
-  Files: `src/.../instrument/cwl.py`.
-  Commit: `Add CWL sample displacement and transparency parameters`
-
-- [x] **P1.2 — Emit the corrections in the cryspy CIF.**
-  In `cryspy.py` `_cif_instrument_section`, CWL+powder branch, extend
-  `instrument_mapping` with
-  `'calib_sample_displacement': '_setup_offset_SyCos'` and
-  `'calib_sample_transparency': '_setup_offset_SySin'`.
-  Files: `src/easydiffraction/analysis/calculators/cryspy.py`.
-  Commit: `Emit SyCos/SySin offsets in cryspy CWL instrument CIF`
-
-- [x] **P1.3 — Update the cached cryspy dict (fast path).**
-  In `cryspy.py` `_update_experiment_in_cryspy_dict`, CWL+powder
-  branch, set `cryspy_expt_dict['offset_sycos'][0]` and
-  `cryspy_expt_dict['offset_sysin'][0]` from the two new parameters,
-  next to the existing `offset_ttheta` assignment. First confirm the
-  built dict exposes these keys with `[0]`-indexed shape (see Open
-  question 2); guard with `if 'offset_sycos' in cryspy_expt_dict:` only
-  if released cryspy lacks the keys and would otherwise KeyError on the
-  minimizer fast path — prefer the unconditional form if released
-  cryspy already provides zero-initialized keys.
-  Files: `src/easydiffraction/analysis/calculators/cryspy.py`.
-  Commit: `Update cryspy dict with SyCos/SySin offsets`
-
-- [x] **P1.4 — Document crysfml non-support.**
-  In `crysfml.py` `_update_experiment_dict_from_instrument`, add a
-  one-line comment near the instrument map noting SyCos/SySin
-  (`calib_sample_displacement` / `calib_sample_transparency`) are
-  intentionally unmapped because crysfml has no equivalent correction.
-  No functional change.
-  Files: `src/easydiffraction/analysis/calculators/crysfml.py`.
-  Commit: `Note crysfml lacks SyCos/SySin instrument corrections`
-
-- [x] **P1.5 — Wire the corrections into the verification page.**
-  In `pd-neut-cwl_tch-fcj_lab6.py`, uncomment the two correction lines
-  using the new names and the empirically confirmed values
-  (start from `calib_sample_displacement = 0.05395`,
-  `calib_sample_transparency = 0.09127`; adjust per Open question 1 if
-  the cryspy convention differs). Update the surrounding markdown so it
-  no longer says "pending EasyDiffraction support". Keep the page in
-  `ci_skip.txt` (still skipped until released cryspy supports PR #46);
-  update only the cryspy-path narrative if needed. Regenerate the
-  notebook with `pixi run notebook-prepare`.
-  Files: `docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py`,
-  `docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb`.
-  Commit: `Enable SyCos/SySin corrections in LaB6 verification page`
+- [x] **P1.1 — Add the two parameters to `CwlPdInstrument`.** In
+      `cwl.py`, inside `CwlPdInstrument.__init__`, add
+      `self._calib_sample_displacement` and
+      `self._calib_sample_transparency` `Parameter`s modeled on
+      `_calib_twotheta_offset`: `name='sample_displacement'` /
+      `'sample_transparency'`, descriptive `description`,
+      `units='degrees'`, `DisplayHandler` (display names "Sample
+      displacement" / "Sample transparency", `display_units='deg'`,
+      sensible LaTeX), default `0.0`, `RangeValidator()`, and
+      `CifHandler(names=['_instr.sample_displacement'])` /
+      `['_instr.sample_transparency']`. Add the matching getter + setter
+      properties (numpy-style one-line ≤72-char docstrings). Files:
+      `src/.../instrument/cwl.py`. Commit:
+      `Add CWL sample displacement and transparency parameters`
+
+- [x] **P1.2 — Emit the corrections in the cryspy CIF.** In `cryspy.py`
+      `_cif_instrument_section`, CWL+powder branch, extend
+      `instrument_mapping` with
+      `'calib_sample_displacement': '_setup_offset_SyCos'` and
+      `'calib_sample_transparency': '_setup_offset_SySin'`. Files:
+      `src/easydiffraction/analysis/calculators/cryspy.py`. Commit:
+      `Emit SyCos/SySin offsets in cryspy CWL instrument CIF`
+
+- [x] **P1.3 — Update the cached cryspy dict (fast path).** In
+      `cryspy.py` `_update_experiment_in_cryspy_dict`, CWL+powder
+      branch, set `cryspy_expt_dict['offset_sycos'][0]` and
+      `cryspy_expt_dict['offset_sysin'][0]` from the two new parameters,
+      next to the existing `offset_ttheta` assignment. First confirm the
+      built dict exposes these keys with `[0]`-indexed shape (see Open
+      question 2); guard with `if 'offset_sycos' in cryspy_expt_dict:`
+      only if released cryspy lacks the keys and would otherwise
+      KeyError on the minimizer fast path — prefer the unconditional
+      form if released cryspy already provides zero-initialized keys.
+      Files: `src/easydiffraction/analysis/calculators/cryspy.py`.
+      Commit: `Update cryspy dict with SyCos/SySin offsets`
+
+- [x] **P1.4 — Document crysfml non-support.** In `crysfml.py`
+      `_update_experiment_dict_from_instrument`, add a one-line comment
+      near the instrument map noting SyCos/SySin
+      (`calib_sample_displacement` / `calib_sample_transparency`) are
+      intentionally unmapped because crysfml has no equivalent
+      correction. No functional change. Files:
+      `src/easydiffraction/analysis/calculators/crysfml.py`. Commit:
+      `Note crysfml lacks SyCos/SySin instrument corrections`
+
+- [x] **P1.5 — Wire the corrections into the verification page.** In
+      `pd-neut-cwl_tch-fcj_lab6.py`, uncomment the two correction lines
+      using the new names and the empirically confirmed values (start
+      from `calib_sample_displacement = 0.05395`,
+      `calib_sample_transparency = 0.09127`; adjust per Open question 1
+      if the cryspy convention differs). Update the surrounding markdown
+      so it no longer says "pending EasyDiffraction support". Keep the
+      page in `ci_skip.txt` (still skipped until released cryspy
+      supports PR #46); update only the cryspy-path narrative if needed.
+      Regenerate the notebook with `pixi run notebook-prepare`. Files:
+      `docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py`,
+      `docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb`. Commit:
+      `Enable SyCos/SySin corrections in LaB6 verification page`
 
 - [x] **P1.6 — Phase 1 review gate** (no-code). Mark `[x]`, commit the
-  checklist update alone.
-  Commit: `Reach Phase 1 review gate`
+      checklist update alone. Commit: `Reach Phase 1 review gate`
 
 ## Implementation steps (Phase 2)
 
@@ -289,8 +290,7 @@ Docs / structure (auto-generated, do not hand-edit):
 > AGENTS.md §Code Style.
 
 - [ ] **P2.1 — Add/extend unit tests (engine-free).**
-  - Extend
-    `tests/unit/.../instrument/test_cwl.py` to assert
+  - Extend `tests/unit/.../instrument/test_cwl.py` to assert
     `calib_sample_displacement` / `calib_sample_transparency` are
     settable, default to `0.0`, carry `units='degrees'`, and expose CIF
     names `_instr.sample_displacement` / `_instr.sample_transparency`.
@@ -302,39 +302,42 @@ Docs / structure (auto-generated, do not hand-edit):
     `_update_experiment_in_cryspy_dict` writes `offset_sycos` /
     `offset_sysin` into a stub experiment dict. **No real cryspy
     engine** (AGENTS.md §Testing); the unreleased PR-#46 cryspy is
-    exercised manually per *Testing against unreleased cryspy*,
-    outside `pixi run unit-tests`.
+    exercised manually per _Testing against unreleased cryspy_, outside
+    `pixi run unit-tests`.
   - Confirm test/source mirroring with `pixi run test-structure-check`
     (also run inside `pixi run check`).
   - Commit: `Add tests for CWL SyCos/SySin instrument corrections`
 
 - [ ] **P2.2 — `pixi run fix`.** Apply auto-fixes; include any
-  regenerated `docs/dev/package-structure/full.md` / `short.md`.
-  Commit: `Apply pixi run fix auto-fixes` (skip if nothing changed).
+      regenerated `docs/dev/package-structure/full.md` / `short.md`.
+      Commit: `Apply pixi run fix auto-fixes` (skip if nothing changed).
+
+- [ ] **P2.3 — `pixi run check`** until clean. Fix mechanical lint nits
+      directly; refactor (don't silence) any complexity/type breach.
 
-- [ ] **P2.3 — `pixi run check`** until clean. Fix mechanical lint
-  nits directly; refactor (don't silence) any complexity/type breach.
   ```bash
   pixi run check > /tmp/easydiffraction-check.log 2>&1; check_exit_code=$?; tail -n 200 /tmp/easydiffraction-check.log; exit $check_exit_code
   ```
 
 - [ ] **P2.4 — `pixi run unit-tests`** until green.
+
   ```bash
   pixi run unit-tests > /tmp/easydiffraction-unit.log 2>&1; unit_tests_exit_code=$?; tail -n 200 /tmp/easydiffraction-unit.log; exit $unit_tests_exit_code
   ```
 
 - [ ] **P2.5 — `pixi run integration-tests`** until green. For
-  sandbox-only multiprocessing/process-pool failures, rerun with the
-  approved escalated permission path before treating it as a defect.
+      sandbox-only multiprocessing/process-pool failures, rerun with the
+      approved escalated permission path before treating it as a defect.
+
   ```bash
   pixi run integration-tests
   ```
 
 - [ ] **P2.6 — `pixi run script-tests`** until green.
-  `pd-neut-cwl_tch-fcj_lab6` remains skipped via `ci_skip.txt`, so the
-  still-divergent cryspy path will not fail CI; confirm the page still
-  parses/builds where the runner loads it. Leave generated
-  `docs/dev/benchmarking/*.csv` untracked.
+      `pd-neut-cwl_tch-fcj_lab6` remains skipped via `ci_skip.txt`, so
+      the still-divergent cryspy path will not fail CI; confirm the page
+      still parses/builds where the runner loads it. Leave generated
+      `docs/dev/benchmarking/*.csv` untracked.
   ```bash
   pixi run script-tests > /tmp/easydiffraction-script.log 2>&1; script_tests_exit_code=$?; tail -n 200 /tmp/easydiffraction-script.log; exit $script_tests_exit_code
   ```
@@ -343,9 +346,9 @@ Docs / structure (auto-generated, do not hand-edit):
 
 - When a released cryspy includes PR #46: bump the `cryspy` pin in
   `pyproject.toml` / refresh `pixi.lock`, remove
-  `pd-neut-cwl_tch-fcj_lab6` from `ci_skip.txt` (if the remaining
-  `11B` / TCH-FCJ discrepancies are also resolved), and finalize the
-  notebook reference values. Track in `docs/dev/issues/open.md`.
+  `pd-neut-cwl_tch-fcj_lab6` from `ci_skip.txt` (if the remaining `11B`
+  / TCH-FCJ discrepancies are also resolved), and finalize the notebook
+  reference values. Track in `docs/dev/issues/open.md`.
 
 ## Status checklist
 

From 9f3d3e3fd383de91d147079d3b3b2b84c4e38de6 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 16:11:01 +0200
Subject: [PATCH 27/41] Update verification loader tests to project-dir API

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 .../analysis/test_verification.py             | 60 +++++++++++--------
 1 file changed, 36 insertions(+), 24 deletions(-)

diff --git a/tests/unit/easydiffraction/analysis/test_verification.py b/tests/unit/easydiffraction/analysis/test_verification.py
index dcecefe6b..ed67f2734 100644
--- a/tests/unit/easydiffraction/analysis/test_verification.py
+++ b/tests/unit/easydiffraction/analysis/test_verification.py
@@ -13,38 +13,50 @@ def _gaussian(x: np.ndarray, center: float, width: float) -> np.ndarray:
     return np.exp(-((x - center) ** 2) / (2.0 * width**2))
 
 
+@pytest.fixture
+def ref_dir(tmp_path, monkeypatch):
+    """Point the bundled-reference loader at a temporary directory.
+
+    The loaders resolve files inside ``bundled_reference_dir()``; tests
+    write fixtures into ``tmp_path`` and pass an empty project sub-folder
+    so the resolved path is ``tmp_path / <file>``.
+    """
+    monkeypatch.setattr(verify, 'bundled_reference_dir', lambda: tmp_path)
+    return tmp_path
+
+
 # ----------------------------------------------------------------------
 #  Reference-profile loaders
 # ----------------------------------------------------------------------
 
 
-def test_load_fullprof_profile_reconstructs_grid(tmp_path):
-    sub = tmp_path / 'ref.sub'
+def test_load_fullprof_profile_reconstructs_grid(ref_dir):
+    sub = ref_dir / 'ref.sub'
     # Header: min increment max + comment, then flattened intensities.
     sub.write_text(
         '   10.0   0.5   12.0   ! a comment\n   1.0  2.0  3.0\n   4.0  5.0\n',
         encoding='utf-8',
     )
-    x, y = verify.load_fullprof_profile(str(sub))
+    x, y = verify.load_fullprof_profile('', 'ref.sub')
     np.testing.assert_allclose(x, [10.0, 10.5, 11.0, 11.5, 12.0])
     np.testing.assert_allclose(y, [1.0, 2.0, 3.0, 4.0, 5.0])
 
 
-def test_load_fullprof_profile_parses_fixed_width_header(tmp_path):
-    sub = tmp_path / 'ref.sub'
+def test_load_fullprof_profile_parses_fixed_width_header(ref_dir):
+    sub = ref_dir / 'ref.sub'
     # Step and max run together in the fixed 10-character columns, as in
     # FullProf's '5.00000030004.1875'-style headers.
     sub.write_text(
         '   10.0000  0.50000012.000000   ! comment\n   1.0 2.0 3.0\n   4.0 5.0\n',
         encoding='utf-8',
     )
-    x, y = verify.load_fullprof_profile(str(sub))
+    x, y = verify.load_fullprof_profile('', 'ref.sub')
     np.testing.assert_allclose(x, [10.0, 10.5, 11.0, 11.5, 12.0])
     np.testing.assert_allclose(y, [1.0, 2.0, 3.0, 4.0, 5.0])
 
 
-def test_load_fullprof_profile_length_mismatch_raises(tmp_path):
-    sub = tmp_path / 'ref.sub'
+def test_load_fullprof_profile_length_mismatch_raises(ref_dir):
+    sub = ref_dir / 'ref.sub'
     # Header maximum 12.0 implies five points (10.0..12.0 step 0.5) but
     # only three intensities follow, so the grid built from the body ends
     # at 11.0 — more than one step short of 12.0: a corrupt reference.
@@ -53,42 +65,42 @@ def test_load_fullprof_profile_length_mismatch_raises(tmp_path):
         encoding='utf-8',
     )
     with pytest.raises(ValueError, match='header maximum'):
-        verify.load_fullprof_profile(str(sub))
+        verify.load_fullprof_profile('', 'ref.sub')
 
 
-def test_load_fullprof_profile_empty_file_raises(tmp_path):
-    sub = tmp_path / 'ref.sub'
+def test_load_fullprof_profile_empty_file_raises(ref_dir):
+    sub = ref_dir / 'ref.sub'
     sub.write_text('', encoding='utf-8')
     with pytest.raises(ValueError, match='expected a header line'):
-        verify.load_fullprof_profile(str(sub))
+        verify.load_fullprof_profile('', 'ref.sub')
 
 
-def test_load_fullprof_profile_header_only_raises(tmp_path):
-    sub = tmp_path / 'ref.sub'
+def test_load_fullprof_profile_header_only_raises(ref_dir):
+    sub = ref_dir / 'ref.sub'
     # A header with no intensity lines following must surface a clear
     # error rather than a confusing grid-mismatch message.
     sub.write_text('   10.0   0.5   12.0   ! a comment\n', encoding='utf-8')
     with pytest.raises(ValueError, match='no intensity values'):
-        verify.load_fullprof_profile(str(sub))
+        verify.load_fullprof_profile('', 'ref.sub')
 
 
-def test_load_fullprof_profile_tolerates_rounded_header_maximum(tmp_path):
-    sub = tmp_path / 'ref.sub'
+def test_load_fullprof_profile_tolerates_rounded_header_maximum(ref_dir):
+    sub = ref_dir / 'ref.sub'
     # The header maximum is rounded a fraction of a step high (12.0004 vs
     # the true last point 12.0), which must not add a spurious point.
     sub.write_text(
         '   10.0   0.5   12.0004   ! a comment\n   1.0  2.0  3.0  4.0  5.0\n',
         encoding='utf-8',
     )
-    x, y = verify.load_fullprof_profile(str(sub))
+    x, y = verify.load_fullprof_profile('', 'ref.sub')
     np.testing.assert_allclose(x, [10.0, 10.5, 11.0, 11.5, 12.0])
     np.testing.assert_allclose(y, [1.0, 2.0, 3.0, 4.0, 5.0])
 
 
-def test_load_columned_profile_reads_two_columns(tmp_path):
-    dat = tmp_path / 'ref.dat'
+def test_load_columned_profile_reads_two_columns(ref_dir):
+    dat = ref_dir / 'ref.dat'
     dat.write_text('! header line\n10.0 100.0\n10.5 200.0\n11.0 150.0\n', encoding='utf-8')
-    x, y = verify.load_columned_profile(str(dat), skip_rows=1, columns=(0, 1))
+    x, y = verify.load_columned_profile('', 'ref.dat', skip_rows=1, columns=(0, 1))
     np.testing.assert_allclose(x, [10.0, 10.5, 11.0])
     np.testing.assert_allclose(y, [100.0, 200.0, 150.0])
 
@@ -107,8 +119,8 @@ def test_bundled_reference_dir_points_at_fullprof():
 # ----------------------------------------------------------------------
 
 
-def test_load_fullprof_sc_f2calc_reads_table(tmp_path):
-    out = tmp_path / 'sc.out'
+def test_load_fullprof_sc_f2calc_reads_table(ref_dir):
+    out = ref_dir / 'sc.out'
     # A header line carrying 'F2obs' and 'F2cal' starts the table; F2cal
     # is the seventh column. A short row (or non-numeric row) ends it, so
     # the trailing summary line must not be parsed as a reflection.
@@ -121,7 +133,7 @@ def test_load_fullprof_sc_f2calc_reads_table(tmp_path):
         '   9   9   9   0     1     1.0          2.0          0.0\n',
         encoding='utf-8',
     )
-    f2calc = verify.load_fullprof_sc_f2calc(str(out))
+    f2calc = verify.load_fullprof_sc_f2calc('', 'sc.out')
     assert f2calc == {(2, 0, 0): pytest.approx(173.6998), (4, 0, 0): pytest.approx(788.1127)}
     # The reflection after the terminator row must not be picked up.
     assert (9, 9, 9) not in f2calc

From eaa2ed45ef7f45603568d10c1851e37cfd7caa2a Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 16:43:25 +0200
Subject: [PATCH 28/41] Test CWL sample displacement/transparency parameters

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 .../experiment/categories/instrument/test_cwl.py   | 14 ++++++++++++++
 1 file changed, 14 insertions(+)

diff --git a/tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_cwl.py b/tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_cwl.py
index 0816f6e73..a0a1d07df 100644
--- a/tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_cwl.py
+++ b/tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_cwl.py
@@ -8,5 +8,19 @@ def test_cwl_instrument_parameters_settable():
     instr = CwlPdInstrument()
     instr.setup_wavelength = 2.0
     instr.calib_twotheta_offset = 0.1
+    instr.calib_sample_displacement = 0.05
+    instr.calib_sample_transparency = 0.09
     assert instr.setup_wavelength.value == 2.0
     assert instr.calib_twotheta_offset.value == 0.1
+    assert instr.calib_sample_displacement.value == 0.05
+    assert instr.calib_sample_transparency.value == 0.09
+
+
+def test_cwl_sample_corrections_default_to_zero_in_degrees():
+    instr = CwlPdInstrument()
+    # SyCos/SySin corrections are off by default (no peak-position shift).
+    assert instr.calib_sample_displacement.value == 0.0
+    assert instr.calib_sample_transparency.value == 0.0
+    # Degrees, matching the FullProf SyCos/SySin convention.
+    assert instr.calib_sample_displacement.units == 'degrees'
+    assert instr.calib_sample_transparency.units == 'degrees'

From d6c6156b2d9274dedbf808f7f0c4a9390053bdfe Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 16:43:25 +0200
Subject: [PATCH 29/41] Test cryspy SyCos/SySin CIF and dict mapping

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 .../analysis/calculators/test_cryspy.py       | 89 +++++++++++++++++++
 1 file changed, 89 insertions(+)

diff --git a/tests/unit/easydiffraction/analysis/calculators/test_cryspy.py b/tests/unit/easydiffraction/analysis/calculators/test_cryspy.py
index c2a268c95..c4a495072 100644
--- a/tests/unit/easydiffraction/analysis/calculators/test_cryspy.py
+++ b/tests/unit/easydiffraction/analysis/calculators/test_cryspy.py
@@ -7,6 +7,33 @@
 import pytest
 
 
+def _cwl_experiment_stub():
+    """Build a minimal CWL-powder experiment stub for dict-update tests."""
+    from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+    from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+
+    return SimpleNamespace(
+        name='exp',
+        type=SimpleNamespace(
+            sample_form=SimpleNamespace(value=SampleFormEnum.POWDER),
+            beam_mode=SimpleNamespace(value=BeamModeEnum.CONSTANT_WAVELENGTH),
+        ),
+        instrument=SimpleNamespace(
+            calib_twotheta_offset=SimpleNamespace(value=0.1),
+            setup_wavelength=SimpleNamespace(value=1.5),
+            calib_sample_displacement=SimpleNamespace(value=0.05),
+            calib_sample_transparency=SimpleNamespace(value=0.09),
+        ),
+        peak=SimpleNamespace(
+            broad_gauss_u=SimpleNamespace(value=0.0),
+            broad_gauss_v=SimpleNamespace(value=0.0),
+            broad_gauss_w=SimpleNamespace(value=0.0),
+            broad_lorentz_x=SimpleNamespace(value=0.0),
+            broad_lorentz_y=SimpleNamespace(value=0.0),
+        ),
+    )
+
+
 def test_module_import():
     import easydiffraction.analysis.calculators.cryspy as MUT
 
@@ -63,6 +90,68 @@ def test_tof_pseudo_voigt_cif_section_uses_non_convoluted_peak_shape():
     assert '_tof_profile_beta0' not in cif_text
 
 
+def test_cwl_cif_instrument_section_emits_sycos_sysin():
+    import easydiffraction.analysis.calculators.cryspy as MUT
+    from easydiffraction.datablocks.experiment.categories.instrument.cwl import CwlPdInstrument
+    from easydiffraction.datablocks.experiment.item.enums import BeamModeEnum
+    from easydiffraction.datablocks.experiment.item.enums import SampleFormEnum
+
+    expt_type = SimpleNamespace(
+        beam_mode=SimpleNamespace(value=BeamModeEnum.CONSTANT_WAVELENGTH),
+        sample_form=SimpleNamespace(value=SampleFormEnum.POWDER),
+    )
+    instrument = CwlPdInstrument()
+    instrument.calib_sample_displacement = 0.05
+    instrument.calib_sample_transparency = 0.09
+
+    cif_lines: list[str] = []
+    MUT._cif_instrument_section(cif_lines, expt_type, instrument)
+    cif_text = '\n'.join(cif_lines)
+
+    assert '_setup_offset_SyCos 0.05' in cif_text
+    assert '_setup_offset_SySin 0.09' in cif_text
+
+
+def test_update_experiment_in_cryspy_dict_sets_sycos_sysin():
+    from easydiffraction.analysis.calculators.cryspy import CryspyCalculator
+
+    experiment = _cwl_experiment_stub()
+    cryspy_dict = {
+        'pd_exp': {
+            'offset_ttheta': [0.0],
+            'wavelength': [0.0],
+            'offset_sycos': [0.0],
+            'offset_sysin': [0.0],
+            'resolution_parameters': [0.0] * 5,
+        }
+    }
+
+    CryspyCalculator._update_experiment_in_cryspy_dict(cryspy_dict, experiment)
+
+    # SyCos/SySin are stored in plain degrees (cryspy converts internally).
+    assert cryspy_dict['pd_exp']['offset_sycos'][0] == 0.05
+    assert cryspy_dict['pd_exp']['offset_sysin'][0] == 0.09
+
+
+def test_update_experiment_in_cryspy_dict_tolerates_missing_sycos_keys():
+    # cryspy releases without PR #46 lack the offset keys; the update must
+    # guard and not raise when they are absent.
+    from easydiffraction.analysis.calculators.cryspy import CryspyCalculator
+
+    experiment = _cwl_experiment_stub()
+    cryspy_dict = {
+        'pd_exp': {
+            'offset_ttheta': [0.0],
+            'wavelength': [0.0],
+            'resolution_parameters': [0.0] * 5,
+        }
+    }
+
+    CryspyCalculator._update_experiment_in_cryspy_dict(cryspy_dict, experiment)
+
+    assert 'offset_sycos' not in cryspy_dict['pd_exp']
+
+
 def test_update_structure_zeroes_biso_for_anisotropic_atoms():
     from easydiffraction.analysis.calculators.cryspy import CryspyCalculator
     from easydiffraction.datablocks.structure.item.base import Structure

From 76e68dd1ddd736b51c1a7d8a7614e58725c708d2 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 17:25:57 +0200
Subject: [PATCH 30/41] Skip NCAF verification page (tabulated IRF mismatch)

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 docs/docs/verification/ci_skip.txt | 1 +
 1 file changed, 1 insertion(+)

diff --git a/docs/docs/verification/ci_skip.txt b/docs/docs/verification/ci_skip.txt
index 8b9687a96..f6e75c9ee 100644
--- a/docs/docs/verification/ci_skip.txt
+++ b/docs/docs/verification/ci_skip.txt
@@ -18,3 +18,4 @@ pd-neut-cwl_tch-fcj-noabs-nosldl_lab6  # needs unreleased cryspy PR #46 (SyCos/S
 pd-neut-cwl_tch-fcj-noabs_lab6  # FCJ asymmetry (S_L/D_L) not implemented in cryspy; see issues/open.md
 pd-neut-cwl_tch-fcj_lab6  # unmodelled sample absorption (muR=0.7, HEWAT) + FCJ asymmetry; see issues/open.md
 pd-neut-tof_jvd_si  # cryspy TOF Lorentzian discrepancy; see issues/open.md
+pd-neut-tof_jvd_ncaf  # FullProf reference uses a tabulated IRF (NPROF 9 look-up table); ed has only the polynomial Jorgensen-Von Dreele profile, so peaks are too narrow (~20%)

From 54a5934292eb964742372cb74700699d4800d976 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 18:39:13 +0200
Subject: [PATCH 31/41] Remove implemented cwl-sample-displacement-transparency
 plan

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 .../cwl-sample-displacement-transparency.md   | 396 ------------------
 1 file changed, 396 deletions(-)
 delete mode 100644 docs/dev/plans/cwl-sample-displacement-transparency.md

diff --git a/docs/dev/plans/cwl-sample-displacement-transparency.md b/docs/dev/plans/cwl-sample-displacement-transparency.md
deleted file mode 100644
index cdb34c1a3..000000000
--- a/docs/dev/plans/cwl-sample-displacement-transparency.md
+++ /dev/null
@@ -1,396 +0,0 @@
-# Plan — CWL sample-displacement & transparency peak-position corrections
-
-Governing conventions: [`AGENTS.md`](../../../AGENTS.md).
-
-**Deliberate exceptions to AGENTS.md in this plan**
-
-- **History.** This plan was drafted and reviewed in `tmp/plans/`
-  (git-ignored) to avoid interfering with in-flight work on the
-  `more-validation-notebooks` branch, then moved here to
-  `docs/dev/plans/` and committed at the start of the `/draft-impl-1`
-  cycle. Implementation runs on a dedicated
-  `cwl-sample-displacement-transparency` branch off `develop` (not on
-  `more-validation-notebooks`).
-- **Dependency timing.** The feature depends on unreleased cryspy
-  functionality (PR #46). Phase 2 verification of the cryspy path can
-  only pass against a locally patched cryspy until that PR ships in a
-  released version. See _Decisions → cryspy dependency_ and the _Testing
-  against unreleased cryspy_ section.
-
----
-
-## Goal
-
-Add two FullProf-style systematic peak-position corrections to the
-constant-wavelength powder instrument so the `pd-neut-cwl_tch-fcj_lab6`
-verification page can be completed:
-
-| User-facing API                                   | FullProf | cryspy CIF / dict key                  | Physical effect                | 2θ shift term        |
-| ------------------------------------------------- | -------- | -------------------------------------- | ------------------------------ | -------------------- |
-| `experiment.instrument.calib_sample_displacement` | `SyCos`  | `_setup_offset_SyCos` / `offset_sycos` | Specimen displacement          | ∝ cos(θ) = cos(½·2θ) |
-| `experiment.instrument.calib_sample_transparency` | `SySin`  | `_setup_offset_SySin` / `offset_sysin` | Sample transparency/absorption | ∝ sin(2θ)            |
-
-These join the existing `calib_twotheta_offset` (FullProf `Zero`, cryspy
-`offset_ttheta`) as the third and fourth `calib_*` corrections on
-`CwlPdInstrument`.
-
-cryspy applies all three together
-(`cryspy/procedure_rhochi/rhochi_pd.py`, PR #46):
-
-```python
-ttheta_zs = ttheta - (
-    offset_ttheta
-    + numpy.radians(offset_sycos) * numpy.cos(0.5 * ttheta)
-    + numpy.radians(offset_sysin) * numpy.sin(ttheta)
-)
-```
-
-So the EasyDiffraction parameter values are plain **degrees**, exactly
-like `calib_twotheta_offset`. As the notebook already warns for `Zero`,
-the FullProf-vs-cryspy sign/convention may differ, so the `.pcr` values
-(`SyCos = 0.05395`, `SySin = 0.09127`) may need adjustment when wired in
-— resolve this empirically in Phase 1 step P1.5.
-
-## Naming decision (confirmed with user)
-
-`calib_sample_displacement` / `calib_sample_transparency` — cause-based,
-self-explanatory to non-programmer scientists, and consistent with the
-`calib_*` peak-position-correction family already on the instrument
-category. Chosen over `calib_sycos`/`calib_sysin` (cryptic) and over
-`calib_twotheta_displacement`/`calib_twotheta_transparency` (more
-verbose, no added clarity).
-
-## ADR
-
-No new ADR is required. This adds two parameters to the existing
-`instrument` category following the established `Parameter` +
-getter/setter + `CifHandler` pattern used by `calib_twotheta_offset`
-(`src/.../instrument/cwl.py`). It introduces no new category, factory,
-switchable-category wiring, or datablock. It does extend CIF
-serialisation toward the cryspy backend, but only by adding rows to the
-existing CWL-powder instrument mapping, which the
-[`factory-contracts.md`](../adrs/accepted/factory-contracts.md) and
-existing instrument design already cover. Per AGENTS.md §Change
-Discipline, the relevant accepted ADRs were reviewed; none constrains
-this change beyond the existing pattern.
-
-## Decisions
-
-- **Scope: CWL powder only.** The corrections are defined only for
-  constant-wavelength powder diffraction (cryspy restricts them to that
-  geometry). Add the two parameters to `CwlPdInstrument` (the `cwl-pd`
-  instrument), **not** to `CwlInstrumentBase` (which is shared with the
-  single-crystal `cwl-sc` instrument) and **not** to TOF.
-- **CIF handler names.** Follow the existing `_instr.*` local
-  convention: `_instr.sample_displacement` and
-  `_instr.sample_transparency` (mirroring `_instr.2theta_offset`).
-- **cryspy CIF emission.** Extend the CWL-powder branch of
-  `_cif_instrument_section` in
-  `src/easydiffraction/analysis/calculators/cryspy.py` with two rows:
-  `calib_sample_displacement → _setup_offset_SyCos` and
-  `calib_sample_transparency → _setup_offset_SySin`.
-- **cryspy dict update (fast minimizer path).** Extend
-  `_update_experiment_in_cryspy_dict` (CWL-powder branch) to set
-  `cryspy_expt_dict['offset_sycos'][0]` and
-  `cryspy_expt_dict['offset_sysin'][0]` from the two new parameters,
-  mirroring how `offset_ttheta` is set. **Confirm the dict shape during
-  P1.3** (scalar vs `[0]`-indexed array) by inspecting the dict cryspy
-  builds from the emitted CIF on the PR branch; `offset_ttheta` uses
-  `[0]`-indexed access, so the new keys are expected to as well — verify
-  before committing.
-- **crysfml: no support.** crysfml has no SyCos/SySin equivalent. Do
-  **not** add rows to `_INSTRUMENT_ATTRIBUTE_MAP` in `crysfml.py`;
-  `_copy_present_values` silently skips unmapped attributes, so crysfml
-  keeps ignoring the corrections. The notebook already documents that
-  crysfml will retain a systematic offset; this is expected and
-  acceptable. (Optionally add a one-line code comment noting SyCos/SySin
-  are intentionally unmapped for crysfml.)
-- **cryspy dependency.** Do **not** bump the `cryspy` pin in
-  `pyproject.toml` in this plan: PR #46 is unreleased. The library code
-  is written so that, with current released cryspy (0.11.0), the new CIF
-  rows are simply ignored / the dict keys fall back to `0.0`
-  (`dict_pd.get("offset_sycos", 0.0)`), so nothing breaks. The cryspy
-  path of the notebook only matches FullProf once cryspy ships PR #46.
-  When that release exists, a **follow-up change** bumps the pin and
-  un-skips the page. This plan does not add a dependency under AGENTS.md
-  §Architecture (no pin change), so no dependency approval is needed
-  here.
-- **Verification page un-skip is deferred.** Keep
-  `pd-neut-cwl_tch-fcj_lab6` in `docs/docs/verification/ci_skip.txt`
-  until a released cryspy supports the corrections. The notebook's two
-  commented `calib_*` lines get uncommented (P1.5) so the page is ready,
-  but it stays CI-skipped because the released engine still differs.
-  Note: the page is also skipped for `11B` scattering and TCH/FCJ
-  reasons per the current `ci_skip.txt` comment, which are independent
-  of this change.
-
-## Open questions
-
-1. **Sign/convention of the FullProf values.** Does
-   `calib_sample_displacement = 0.05395` /
-   `calib_sample_transparency = 0.09127` reproduce FullProf directly, or
-   is a sign flip / scale needed (as happened conceptually with `Zero`)?
-   Resolve empirically in P1.5 against a PR-#46 cryspy; record the final
-   notebook values and any adjustment in a code/notebook comment.
-2. **cryspy dict key array shape.** Confirm
-   `offset_sycos`/`offset_sysin` are `[0]`-indexed arrays in the built
-   dict (expected, matching `offset_ttheta`). Resolved during P1.3.
-3. **Released cryspy version string.** The exact released version that
-   first contains PR #46 is unknown today; the pin bump + un-skip is a
-   deferred follow-up, not part of this plan.
-
-## Testing against unreleased cryspy (local only — not committed)
-
-To exercise the cryspy path before PR #46 is released, replace the
-cryspy installed in the pixi default env with the PR branch. This is a
-**local developer step**; it touches `.pixi/` only and must never be
-committed.
-
-```bash
-# From a scratch dir outside the repo:
-git clone --branch <pr-46-branch> https://github.com/ikibalin/cryspy.git /tmp/cryspy-pr46
-# Install into the project's default pixi env (editable, so edits are live):
-cd /home/andrewsazonov/Development/github.com/easyscience/diffraction-lib
-.pixi/envs/default/bin/python -m pip install --no-deps -e /tmp/cryspy-pr46
-# Verify it took:
-.pixi/envs/default/bin/python -c "import cryspy, inspect, os; print(os.path.dirname(cryspy.__file__))"
-```
-
-To restore the released cryspy afterwards (so the env matches
-`pixi.lock` again):
-
-```bash
-pixi install            # or: .pixi/envs/default/bin/python -m pip install --no-deps --force-reinstall cryspy==0.11.0
-```
-
-Notes:
-
-- `<pr-46-branch>` is the head branch of
-  https://github.com/ikibalin/cryspy/pull/46 — confirm the exact branch
-  name on the PR page before cloning.
-- Because `pixi install` will overwrite the patched env, any
-  `pixi run check` / test invocation that re-syncs the env can silently
-  revert the patch. Run cryspy-path verification with explicit
-  `.pixi/envs/default/bin/python` invocations, or re-apply the patch
-  after any `pixi install`.
-- Unit tests (P2) must **not** depend on the patched cryspy — they stub
-  the engine and assert on the emitted CIF string / dict mutations, per
-  AGENTS.md §Testing ("no real calculation engines" in unit tests).
-
-## Concrete files likely to change
-
-Source (Phase 1):
-
-- `src/easydiffraction/datablocks/experiment/categories/instrument/cwl.py`
-  — add two `Parameter`s + getter/setter properties to
-  `CwlPdInstrument`.
-- `src/easydiffraction/analysis/calculators/cryspy.py` —
-  `_cif_instrument_section` (CWL-powder mapping) and
-  `_update_experiment_in_cryspy_dict` (CWL-powder branch).
-- `src/easydiffraction/analysis/calculators/crysfml.py` — comment only
-  (intentionally unmapped); no functional change.
-- `docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py` — uncomment the
-  two `calib_*` lines using the new names; regenerate the notebook with
-  `pixi run notebook-prepare`.
-
-Tests (Phase 2):
-
-- `tests/unit/easydiffraction/datablocks/experiment/categories/instrument/test_cwl.py`
-  — assert the two new parameters are settable and carry correct
-  defaults/units/CIF names.
-- A cryspy-calculator unit test (new `test_cryspy_coverage.py` or extend
-  an existing calculator test) asserting the emitted CIF contains
-  `_setup_offset_SyCos` / `_setup_offset_SySin` with the set values, and
-  that `_update_experiment_in_cryspy_dict` writes `offset_sycos`/
-  `offset_sysin` into a stub dict. No real engine.
-
-Docs / structure (auto-generated, do not hand-edit):
-
-- `docs/dev/package-structure/full.md`, `short.md` — regenerated by
-  `pixi run fix` if the public surface changes.
-
-## Implementation steps (Phase 1)
-
-> When executed via `/draft-impl-1`, each step is one atomic commit:
-> stage only the files the step lists (explicit paths), update this
-> checklist to `[x]` in the same commit, and use the step's `Commit:`
-> message. Commit locally before moving to the next step. Do not run
-> tests or `pixi run check` in Phase 1.
-
-- [x] **P1.1 — Add the two parameters to `CwlPdInstrument`.** In
-      `cwl.py`, inside `CwlPdInstrument.__init__`, add
-      `self._calib_sample_displacement` and
-      `self._calib_sample_transparency` `Parameter`s modeled on
-      `_calib_twotheta_offset`: `name='sample_displacement'` /
-      `'sample_transparency'`, descriptive `description`,
-      `units='degrees'`, `DisplayHandler` (display names "Sample
-      displacement" / "Sample transparency", `display_units='deg'`,
-      sensible LaTeX), default `0.0`, `RangeValidator()`, and
-      `CifHandler(names=['_instr.sample_displacement'])` /
-      `['_instr.sample_transparency']`. Add the matching getter + setter
-      properties (numpy-style one-line ≤72-char docstrings). Files:
-      `src/.../instrument/cwl.py`. Commit:
-      `Add CWL sample displacement and transparency parameters`
-
-- [x] **P1.2 — Emit the corrections in the cryspy CIF.** In `cryspy.py`
-      `_cif_instrument_section`, CWL+powder branch, extend
-      `instrument_mapping` with
-      `'calib_sample_displacement': '_setup_offset_SyCos'` and
-      `'calib_sample_transparency': '_setup_offset_SySin'`. Files:
-      `src/easydiffraction/analysis/calculators/cryspy.py`. Commit:
-      `Emit SyCos/SySin offsets in cryspy CWL instrument CIF`
-
-- [x] **P1.3 — Update the cached cryspy dict (fast path).** In
-      `cryspy.py` `_update_experiment_in_cryspy_dict`, CWL+powder
-      branch, set `cryspy_expt_dict['offset_sycos'][0]` and
-      `cryspy_expt_dict['offset_sysin'][0]` from the two new parameters,
-      next to the existing `offset_ttheta` assignment. First confirm the
-      built dict exposes these keys with `[0]`-indexed shape (see Open
-      question 2); guard with `if 'offset_sycos' in cryspy_expt_dict:`
-      only if released cryspy lacks the keys and would otherwise
-      KeyError on the minimizer fast path — prefer the unconditional
-      form if released cryspy already provides zero-initialized keys.
-      Files: `src/easydiffraction/analysis/calculators/cryspy.py`.
-      Commit: `Update cryspy dict with SyCos/SySin offsets`
-
-- [x] **P1.4 — Document crysfml non-support.** In `crysfml.py`
-      `_update_experiment_dict_from_instrument`, add a one-line comment
-      near the instrument map noting SyCos/SySin
-      (`calib_sample_displacement` / `calib_sample_transparency`) are
-      intentionally unmapped because crysfml has no equivalent
-      correction. No functional change. Files:
-      `src/easydiffraction/analysis/calculators/crysfml.py`. Commit:
-      `Note crysfml lacks SyCos/SySin instrument corrections`
-
-- [x] **P1.5 — Wire the corrections into the verification page.** In
-      `pd-neut-cwl_tch-fcj_lab6.py`, uncomment the two correction lines
-      using the new names and the empirically confirmed values (start
-      from `calib_sample_displacement = 0.05395`,
-      `calib_sample_transparency = 0.09127`; adjust per Open question 1
-      if the cryspy convention differs). Update the surrounding markdown
-      so it no longer says "pending EasyDiffraction support". Keep the
-      page in `ci_skip.txt` (still skipped until released cryspy
-      supports PR #46); update only the cryspy-path narrative if needed.
-      Regenerate the notebook with `pixi run notebook-prepare`. Files:
-      `docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.py`,
-      `docs/docs/verification/pd-neut-cwl_tch-fcj_lab6.ipynb`. Commit:
-      `Enable SyCos/SySin corrections in LaB6 verification page`
-
-- [x] **P1.6 — Phase 1 review gate** (no-code). Mark `[x]`, commit the
-      checklist update alone. Commit: `Reach Phase 1 review gate`
-
-## Implementation steps (Phase 2)
-
-> Run after Phase 1 review is approved. When executed via
-> `/draft-impl-2`, **add/extend the tests first (P2.1)**, then run the
-> verification suite (P2.2–P2.6) in order, committing atomically per
-> auto-fix or per logical fix. Use the zsh-safe log-capture pattern
-> below whenever a task's output must be analyzed. Do not silence lint
-> thresholds (`# noqa`, threshold bumps) — refactor instead per
-> AGENTS.md §Code Style.
-
-- [ ] **P2.1 — Add/extend unit tests (engine-free).**
-  - Extend `tests/unit/.../instrument/test_cwl.py` to assert
-    `calib_sample_displacement` / `calib_sample_transparency` are
-    settable, default to `0.0`, carry `units='degrees'`, and expose CIF
-    names `_instr.sample_displacement` / `_instr.sample_transparency`.
-  - Add a cryspy-calculator unit test (new
-    `tests/unit/.../analysis/calculators/test_cryspy_coverage.py` or
-    extend an existing calculator test) asserting that
-    `_cif_instrument_section` emits `_setup_offset_SyCos` /
-    `_setup_offset_SySin` with the set values, and that
-    `_update_experiment_in_cryspy_dict` writes `offset_sycos` /
-    `offset_sysin` into a stub experiment dict. **No real cryspy
-    engine** (AGENTS.md §Testing); the unreleased PR-#46 cryspy is
-    exercised manually per _Testing against unreleased cryspy_, outside
-    `pixi run unit-tests`.
-  - Confirm test/source mirroring with `pixi run test-structure-check`
-    (also run inside `pixi run check`).
-  - Commit: `Add tests for CWL SyCos/SySin instrument corrections`
-
-- [ ] **P2.2 — `pixi run fix`.** Apply auto-fixes; include any
-      regenerated `docs/dev/package-structure/full.md` / `short.md`.
-      Commit: `Apply pixi run fix auto-fixes` (skip if nothing changed).
-
-- [ ] **P2.3 — `pixi run check`** until clean. Fix mechanical lint nits
-      directly; refactor (don't silence) any complexity/type breach.
-
-  ```bash
-  pixi run check > /tmp/easydiffraction-check.log 2>&1; check_exit_code=$?; tail -n 200 /tmp/easydiffraction-check.log; exit $check_exit_code
-  ```
-
-- [ ] **P2.4 — `pixi run unit-tests`** until green.
-
-  ```bash
-  pixi run unit-tests > /tmp/easydiffraction-unit.log 2>&1; unit_tests_exit_code=$?; tail -n 200 /tmp/easydiffraction-unit.log; exit $unit_tests_exit_code
-  ```
-
-- [ ] **P2.5 — `pixi run integration-tests`** until green. For
-      sandbox-only multiprocessing/process-pool failures, rerun with the
-      approved escalated permission path before treating it as a defect.
-
-  ```bash
-  pixi run integration-tests
-  ```
-
-- [ ] **P2.6 — `pixi run script-tests`** until green.
-      `pd-neut-cwl_tch-fcj_lab6` remains skipped via `ci_skip.txt`, so
-      the still-divergent cryspy path will not fail CI; confirm the page
-      still parses/builds where the runner loads it. Leave generated
-      `docs/dev/benchmarking/*.csv` untracked.
-  ```bash
-  pixi run script-tests > /tmp/easydiffraction-script.log 2>&1; script_tests_exit_code=$?; tail -n 200 /tmp/easydiffraction-script.log; exit $script_tests_exit_code
-  ```
-
-## Follow-up (out of scope, deferred)
-
-- When a released cryspy includes PR #46: bump the `cryspy` pin in
-  `pyproject.toml` / refresh `pixi.lock`, remove
-  `pd-neut-cwl_tch-fcj_lab6` from `ci_skip.txt` (if the remaining `11B`
-  / TCH-FCJ discrepancies are also resolved), and finalize the notebook
-  reference values. Track in `docs/dev/issues/open.md`.
-
-## Status checklist
-
-- [x] P1.1 Add parameters to `CwlPdInstrument`
-- [x] P1.2 Emit offsets in cryspy CIF
-- [x] P1.3 Update cryspy cached dict
-- [x] P1.4 Comment crysfml non-support
-- [x] P1.5 Wire corrections into verification page
-- [x] P1.6 Phase 1 review gate
-- [ ] P2.1 Add/extend engine-free unit tests
-- [ ] P2.2 `pixi run fix`
-- [ ] P2.3 `pixi run check` clean
-- [ ] P2.4 `pixi run unit-tests` green
-- [ ] P2.5 `pixi run integration-tests` green
-- [ ] P2.6 `pixi run script-tests` green
-
-## Suggested branch
-
-`cwl-sample-displacement-transparency` (off `develop`, per AGENTS.md
-§Planning). Note: current work is on `more-validation-notebooks`; create
-the implementation branch when starting `/draft-impl-1`.
-
-## Suggested Pull Request
-
-**Title:** Add sample-displacement and transparency peak corrections for
-constant-wavelength powder data
-
-**Description:** Constant-wavelength powder instruments can now correct
-for two common sources of systematic peak-position error: **sample
-displacement** (the specimen sitting slightly off the diffractometer
-axis) and **sample transparency** (the beam penetrating into the
-sample). These match FullProf's `SyCos` and `SySin` corrections and sit
-alongside the existing zero-offset correction:
-
-```python
-experiment.instrument.calib_sample_displacement = 0.05395
-experiment.instrument.calib_sample_transparency = 0.09127
-```
-
-This lets EasyDiffraction reproduce FullProf peak positions for datasets
-where these effects matter (e.g. the LaB₆ verification reference) when
-using the cryspy engine. The crysfml engine does not yet support these
-corrections. Until the upstream cryspy release that adds them is
-available, the LaB₆ verification page remains marked as a known
-work-in-progress and is excluded from CI.

From a04eb974db1e22cc220c056e3c06050e2c3cdc49 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 18:42:23 +0200
Subject: [PATCH 32/41] Remove implemented test-suite-and-validation plan

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 docs/dev/plans/test-suite-and-validation.md | 385 --------------------
 1 file changed, 385 deletions(-)
 delete mode 100644 docs/dev/plans/test-suite-and-validation.md

diff --git a/docs/dev/plans/test-suite-and-validation.md b/docs/dev/plans/test-suite-and-validation.md
deleted file mode 100644
index 6014dd49a..000000000
--- a/docs/dev/plans/test-suite-and-validation.md
+++ /dev/null
@@ -1,385 +0,0 @@
-# Plan: Test Suite and Validation Strategy
-
-This plan follows [`AGENTS.md`](../../../AGENTS.md) with one **declared
-exception** to the two-phase workflow. [`AGENTS.md`](../../../AGENTS.md)
-§Workflow keeps test creation in Phase 2 ("Phase 1 — Code and docs
-updates only ... Do not create or run tests unless the user explicitly
-asks"). Because this ADR's subject _is_ the test suite, Phase 1 here
-necessarily includes test relocation, shared fixtures, new unit/property
-tests, and benchmark tests as implementation work — deferring them to
-verification would leave Phase 1 empty of its actual deliverable. The
-implementer running `/draft-impl-1` will therefore edit and add files
-under `tests/**` during Phase 1. Phase 2 remains the standard
-verification gate (`pixi run fix`/`check`/`unit-tests`/
-`integration-tests`/`script-tests`) and does not author new test suites.
-
-A scope decision is also recorded below (§Scope): the cross-repository
-work is documented for the future rather than implemented in this
-branch, per the author's instruction.
-
-## ADR
-
-Implements the suggestion ADR
-[`test-suite-and-validation.md`](../adrs/accepted/test-suite-and-validation.md)
-(drafted via `/draft-adr`; review cycle closed). The plan owns this ADR.
-Per [`AGENTS.md`](../../../AGENTS.md) §Change Discipline, the ADR is
-promoted from `suggestions/` to `accepted/` as part of this change,
-before the PR is opened (step P1.15).
-
-Coordinated, not implemented here:
-[`documentation-ci-build.md`](../adrs/suggestions/documentation-ci-build.md)
-(stays a suggestion; this plan implements only its strict-build, link,
-and spelling subset for the every-push test workflow — see §Open
-questions).
-
-Amends the accepted
-[`test-strategy.md`](../adrs/accepted/test-strategy.md) (sharper layer
-definitions).
-
-## Branch and PR
-
-- Branch: `test-suite-and-validation` (already checked out, created off
-  `develop`).
-- PR target: `develop`.
-- Do not push the branch until asked.
-
-## Scope
-
-**In scope (all in-repository ADR work):** §1 strict layers +
-relocation, §2 cost-tier markers, §3 structure-check CI gate, §4
-coverage target + `hypothesis`, §5 codecov policy, §6 engine support
-matrix + cross-engine (cryspy ↔ crysfml) calculation-only comparison
-pages, §7 `pytest-benchmark` suite, §9 fast docs build gate.
-
-**Documented for the future (cross-repository, NOT implemented here):**
-
-- §8 nightly COD corpus harness, its results database, and the
-  pip-install acceptance CI job that writes results back to the
-  `diffraction` data repository.
-- §8 generative random-structure fuzzing (already ADR-deferred).
-- §7 benchmark baseline history committed to the `diffraction` data
-  repository, and any performance regression gate.
-- §6 external-software comparison (FullProf/GSAS-II) via zipped projects
-  stored in the `diffraction` data repository.
-
-These are captured in step P1.14 (a future-work record in
-`docs/dev/issues/open.md`) and remain in the ADR's Deferred Work.
-
-## Decisions (already made)
-
-- **Layers (§1):** functional is in-process with bundled fixtures only —
-  **no real calculation engine and no network/`download_data()`**; those
-  move to integration. A test goes to the lowest layer whose constraints
-  it can satisfy.
-- **Markers (§2):** opt-in escalation. Default (unmarked) = fast. Add
-  `@pytest.mark.pr` (PR + `develop`/`master`) and `@pytest.mark.nightly`
-  (scheduled only). **Retire the current `fast` marker** (6 integration
-  files). CI selection: `not pr and not nightly` (feature push) /
-  `not nightly` (PR + main) / all (nightly schedule). Because markers
-  are **orthogonal to layers**, the selected expression is applied to
-  **every** pytest invocation under the policy — unit, functional, and
-  integration, in both the source and package CI jobs — not to
-  integration alone as today. The **integration layer defaults to the
-  `pr` tier** (auto-marked once in `tests/integration/conftest.py`)
-  because every integration test uses a real engine; unit/functional
-  default to fast and escalate individually.
-- **Structure gate (§3):** unify on a single `src/` tree walk shared by
-  `tools/generate_package_docs.py` and `tools/test_structure_check.py`;
-  run the check in CI as a gate.
-- **Coverage (§4):** raise `fail_under` 65 → 80 (ramp to 90–95 later).
-  Adopt `hypothesis` (approved) in a deterministic profile; input-domain
-  tests target the validators in `core/validation.py`. One documented
-  numeric-tolerance convention via a root `tests/conftest.py`.
-- **Codecov (§5):** unit-only upload (unchanged), `patch` →
-  `informational: true`, `project` → target 80% blocking. No new upload
-  path.
-- **Verification (§6):** calculation-only (no minimisation) cross-engine
-  comparison pages with profile-difference / max-deviation /
-  integrated-intensity metrics and overlay plots; new top-level
-  `Verification` nav node; pages double as `script-tests`. Engine
-  support matrix declared first.
-- **Benchmarks (§7):** `pytest-benchmark` (approved), per
-  `beam_mode × radiation_probe × engine`, `nightly`-marked, output as a
-  CI artifact; informational.
-- **Docs gate (§9):** fast every-push job in `test.yml` — strict
-  `mkdocs build` (no tutorial execution), link check (`lychee`), spell
-  check (`codespell`) — separate from the slow `docs.yml`.
-- **Dependencies named for pre-approval** (per
-  [`AGENTS.md`](../../../AGENTS.md) §Architecture): `hypothesis`,
-  `pytest-benchmark`, `codespell` (dev dependencies); `lychee` (CI
-  link-checker, GitHub Action or binary — no Python dependency).
-- **Added during Phase 2 verification by direct user request**
-  (`AGENTS.md` §Architecture first approval path — a direct user request
-  in the conversation, 2026-06-06): `pytest-randomly` (dev dependency).
-  It randomises unit-test order to flush out latent test-ordering
-  dependence; it surfaced and fixed two such tests and is paired with a
-  `tests/unit/conftest.py` global-state reset fixture. This was not in
-  the original pre-approval list above; the approval is recorded here
-  for traceability.
-
-## Open questions
-
-1. **Engine support matrix — extend existing metadata (§6, P1.11).** The
-   `TypeInfo`/`Compatibility`/`CalculatorSupport` dataclasses already
-   exist in `src/easydiffraction/core/metadata.py` (lines 19, 40, 88)
-   and are populated per instrument category (e.g.
-   `datablocks/experiment/categories/instrument/cwl.py` declares
-   `compatibility` and `calculator_support`). P1.11 therefore _applies
-   and extends_ this model — notably adding `radiation_probe` to
-   `Compatibility` if missing, and exposing a query to enumerate
-   comparable engine × condition combinations — rather than introducing
-   new classes. **Stop and ask** about a dedicated ADR only if extending
-   the metadata shape proves structural (a broad change to
-   `Compatibility`).
-2. **`fail_under = 80` feasibility (§4, P1.9).** Current unit-only
-   coverage is unverified against 80. If Phase 2 shows it below 80 after
-   the new tests, either add more unit tests or set a documented
-   intermediate value and ramp — decide in Phase 2, do not silence the
-   gate.
-3. **`documentation-ci-build` promotion (§9).** The ADR text says
-   promoting it "is part of this work," but this plan implements only a
-   subset (strict build + link + spell). Recommendation: keep it a
-   suggestion and cross-reference; revisit promotion when its remaining
-   items (mkdocstrings, snippet smoke tests, notebook-freshness) land.
-4. **`lychee` packaging.** GitHub Action vs pinned binary in the pixi
-   environment — pick during P1.10.
-5. **Location of the strict-criteria testing guide and the
-   tolerance-convention text (§1/§4).** A new `docs/dev/` testing guide
-   vs extending the amended `test-strategy.md` — decide in P1.5.
-
-## Concrete files likely to change
-
-- `.codecov.yml` (status config)
-- `pyproject.toml` (`[tool.pytest.ini_options].markers`,
-  `[tool.coverage.report].fail_under`, `hypothesis`/`codespell` config,
-  dev dependencies)
-- `pixi.toml` (new tasks: `docs-build-strict`, `link-check`,
-  `spell-check`, `benchmarks`; structure-check wiring; deps)
-- `.github/workflows/test.yml` (marker selection, nightly scheduled job,
-  strict-docs job, structure-check gate)
-- `tools/test_structure_check.py`, `tools/generate_package_docs.py`
-  (shared tree walk)
-- `tests/conftest.py` (new: seeded RNG + tolerance fixtures)
-- `tests/functional/**`, `tests/integration/**`, `tests/unit/**`
-  (relocation; remove `fast` marks; new property tests)
-- `tests/integration/fitting/*.py` (6 files: remove `@pytest.mark.fast`)
-- `tests/benchmarks/**` (new: `nightly` benchmarks)
-- `src/easydiffraction/core/metadata.py`,
-  `src/easydiffraction/datablocks/experiment/categories/instrument/**`,
-  `src/easydiffraction/analysis/calculators/**` (engine support matrix —
-  extend existing `Compatibility`/`CalculatorSupport`)
-- `src/easydiffraction/core/validation.py` (property-test target; expose
-  domains if needed)
-- `docs/mkdocs.yml` (Verification nav node)
-- `docs/docs/verification/*.py` (new comparison tutorials)
-- `docs/dev/adrs/suggestions/test-suite-and-validation.md` → `accepted/`
-  (promotion); `docs/dev/adrs/index.md` (status flip)
-- `docs/dev/issues/open.md` (cross-repo future-work record)
-- new config: `.codespellrc` (or `[tool.codespell]`), `lychee` config
-
-## Implementation discipline
-
-When an AI agent follows this plan, **every completed Phase 1 step must
-be staged with explicit paths and committed locally before moving to the
-next step or the Phase 1 review gate**, per
-[`AGENTS.md`](../../../AGENTS.md) §Commits. Keep commits atomic,
-single-purpose, and aligned to the step. Do not stage unrelated dirty
-files or generated artifacts. Do not run Phase 2 commands during
-Phase 1.
-
-## Implementation steps (Phase 1)
-
-- [x] **P1.1 — Codecov status policy (§5)** Edit `.codecov.yml`: add
-      `informational: true` to `patch.default`; set `project.default` to
-      `target: 80%`, `informational: false`. Leave the unit-only upload
-      untouched. Files: `.codecov.yml`. Commit:
-      `Make codecov patch informational and gate project at 80%`
-
-- [x] **P1.2 — Cost-tier markers and test retagging (§2)** Register `pr`
-      and `nightly` markers in `[tool.pytest.ini_options].markers`;
-      remove the `fast` marker definition. Remove `@pytest.mark.fast`
-      from the 6 `tests/integration/fitting/*.py` files (retag the
-      genuinely heavy ones with `pr` where appropriate). Files:
-      `pyproject.toml`, `tests/integration/fitting/*.py`. Commit:
-      `Replace fast marker with pr and nightly test tiers`
-
-- [x] **P1.3 — CI marker selection across all layers and nightly job
-      (§2)** Update `.github/workflows/test.yml` mark logic to
-      `-m "not pr and not nightly"` (feature push) and
-      `-m "not nightly"` (PR + `develop`/`master`), and apply the
-      selected expression to **every** pytest invocation in both the
-      source-test and package-test jobs — unit, functional, and
-      integration (today `-m` reaches only the integration runs at lines
-      132 and 311; unit/functional run unfiltered). Thread a marker
-      passthrough into the `unit-tests` and `functional-tests` pixi
-      tasks (the `integration-tests` task already accepts an appended
-      expression). Add a `schedule:` trigger and a nightly job running
-      `-m nightly`. Files: `.github/workflows/test.yml`, `pixi.toml`.
-      Commit: `Select test tiers per trigger across all test layers`
-
-- [x] **P1.4 — Unify src-tree walk and gate structure check (§3)**
-      Extract the `src/` enumeration so `tools/test_structure_check.py`
-      and `tools/generate_package_docs.py` share one walker; add the
-      check to CI (lint/format or test workflow) as a blocking gate.
-      Files: `tools/test_structure_check.py`,
-      `tools/generate_package_docs.py`, `.github/workflows/*.yml`,
-      `pixi.toml`. Commit:
-      `Gate unit-test structure check on shared src tree walk`
-
-- [x] **P1.5 — Strict layer-criteria testing guide (§1)** Write the
-      may/must-not criteria and the "where does this test go?" decision
-      list (location per Open question 5), and tighten the layer wording
-      referenced by the amended `test-strategy.md`. Files: new
-      `docs/dev/` testing guide (or `test-strategy.md` update). Commit:
-      `Document strict test layer placement criteria`
-
-- [x] **P1.6 — Test relocation pass (§1)** Move functional tests that
-      call real `download_data()` into integration; relocate or
-      correctly mark slow/engine/network-touching unit tests (the 16
-      `download_data()` unit call sites must be explicit mocks or move
-      out). Keep `test-structure-check` green. Files:
-      `tests/functional/**`, `tests/integration/**`, `tests/unit/**`.
-      Commit: `Relocate network and engine tests to correct layers`
-
-- [x] **P1.7 — Shared fixtures, hypothesis profile, tolerance convention
-      (§4)** Add `hypothesis` (dev dep) and a deterministic profile
-      (`derandomize`, fixed seed, no committed `.hypothesis` DB). Add a
-      root `tests/conftest.py` with seeded-RNG and one documented
-      `rtol`/`atol` pair (intra-engine) and one cross-engine pair.
-      Files: `pyproject.toml`, `pixi.toml`, `tests/conftest.py`, testing
-      guide. Commit:
-      `Add hypothesis deterministic profile and shared test fixtures`
-
-- [x] **P1.8 — Input-domain property tests on validators (§4)**
-      Property-based + explicit boundary-table tests against
-      `core/validation.py` (`TypeValidator`, content `ValidatorBase`
-      subclasses) through parameter (`core/variable.py`) and category
-      (`core/category.py`): valid-domain acceptance and invalid/
-      wrong-type rejection or fallback per contract. Files:
-      `tests/unit/easydiffraction/core/**` (validator/variable/ category
-      tests). Commit:
-      `Add property-based input-domain tests for validators`
-
-- [x] **P1.9 — Raise coverage gate to 80% (§4)** Set
-      `[tool.coverage.report] fail_under = 80`. (Resolve Open question 2
-      in Phase 2 if unit coverage is below 80 after P1.8.) Files:
-      `pyproject.toml`. Commit:
-      `Raise coverage fail_under to 80 percent`
-
-- [x] **P1.10 — Fast docs build gate (§9)** Add `docs-build-strict`
-      (`mkdocs build --strict`, tutorials not executed), `link-check`
-      (`lychee`), and `spell-check` (`codespell`) pixi tasks with config
-      and ignore lists; add a fast every-push job to `test.yml`. Add
-      `codespell` dev dep; wire `lychee` (Open question 4). Files:
-      `pixi.toml`, `pyproject.toml`, `.github/workflows/test.yml`,
-      `.codespellrc`, `lychee` config. Commit:
-      `Add strict docs build, link, and spell checks on every push`
-
-- [x] **P1.11 — Apply/extend calculator support metadata (§6
-      prerequisite)** Build on the existing
-      `Compatibility`/`CalculatorSupport` model in `core/metadata.py`
-      (already declared per instrument category): add `radiation_probe`
-      to `Compatibility` if missing, and add a small query helper to
-      enumerate comparable engine × experiment-condition combinations
-      for the verification pages. Prefer this declared metadata over the
-      ad-hoc per-calculator `if beam_mode == …` checks. **Stop and ask**
-      only if extending the metadata shape proves structural (Open
-      question 1). Files: `src/easydiffraction/core/metadata.py`,
-      `src/easydiffraction/datablocks/experiment/categories/instrument/**`,
-      `src/easydiffraction/analysis/calculators/**`. Commit:
-      `Extend calculator support metadata with radiation probe`
-
-- [x] **P1.12 — Cross-engine verification pages + script wiring (§6)**
-      Add the `Verification` nav node (between Tutorials and
-      Command-Line) and a calculation-only `.py` comparison page (cryspy
-      ↔ crysfml) for the **first** supported combination
-      (constant-wavelength powder), with closeness metrics, overlay
-      plots, and metric-tolerance assertions. The remaining supported
-      combinations (time-of-flight powder, single crystal) are added
-      incrementally (issue 115). **Wire the new
-      `docs/docs/verification/` directory into the script-test runner**
-      — `tools/test_scripts.py` discovers only
-      `docs/docs/tutorials/*.py` today (lines 24-27) — and into the
-      notebook pipeline (`notebook-prepare` / `notebook-convert` /
-      `notebook-tests`, which target the tutorials dir), so the pages
-      are generated and exercised as regressions. Run
-      `pixi run notebook-prepare`. Files: `docs/mkdocs.yml`,
-      `docs/docs/verification/*.py` (+ generated `*.ipynb`),
-      `tools/test_scripts.py`, `pixi.toml`. Commit:
-      `Add cross-engine verification comparison pages and script wiring`
-
-- [x] **P1.13 — Per-experiment performance benchmarks (§7)** Add
-      `pytest-benchmark` (dev dep), `nightly`-marked benchmarks keyed by
-      `beam_mode × radiation_probe × engine`, and a `benchmarks` pixi
-      task emitting JSON as a CI artifact (data-repo history deferred).
-      Files: `pyproject.toml`, `pixi.toml`, `tests/benchmarks/**`.
-      Commit: `Add per-experiment performance benchmarks (nightly)`
-
-- [x] **P1.14 — Record cross-repository future work (§8 + deferred)**
-      Add prioritised entries to `docs/dev/issues/open.md` for the
-      nightly COD harness + results DB + pip-install acceptance job,
-      generative fuzzing, data-repo benchmark history, and
-      external-software comparison data. Confirm the ADR Deferred Work
-      covers them. Files: `docs/dev/issues/open.md`. Commit:
-      `Record cross-repo nightly harness and benchmarks as future work`
-
-- [x] **P1.15 — Promote ADR to accepted (§Change Discipline)**
-      `git mv docs/dev/adrs/suggestions/test-suite-and-validation.md docs/dev/adrs/accepted/`;
-      set its `## Status` to `Accepted.`; flip the
-      `docs/dev/adrs/index.md` row to `Accepted` with the `accepted/...`
-      link; fix any links that pointed at the `suggestions/` path
-      (`git grep -n`). Files: ADR file (moved),
-      `docs/dev/adrs/index.md`. Commit:
-      `Promote test-suite-and-validation ADR to accepted`
-
-- [x] **P1.16 — Phase 1 review gate (no code)** Confirm every box above
-      is `[x]`. Mark this step and commit the checklist update alone.
-      Commit: `Reach Phase 1 review gate`
-
-## Phase 2 verification
-
-Run after the Phase 1 review gate closes. Use the zsh-safe log-capture
-pattern where output is needed.
-
-```shell
-pixi run fix
-pixi run check > /tmp/easydiffraction-check.log 2>&1; check_exit_code=$?; tail -n 200 /tmp/easydiffraction-check.log; exit $check_exit_code
-pixi run unit-tests > /tmp/easydiffraction-unit.log 2>&1; unit_tests_exit_code=$?; tail -n 200 /tmp/easydiffraction-unit.log; exit $unit_tests_exit_code
-pixi run integration-tests > /tmp/easydiffraction-integration.log 2>&1; integration_tests_exit_code=$?; tail -n 200 /tmp/easydiffraction-integration.log; exit $integration_tests_exit_code
-pixi run script-tests > /tmp/easydiffraction-script.log 2>&1; script_tests_exit_code=$?; tail -n 200 /tmp/easydiffraction-script.log; exit $script_tests_exit_code
-```
-
-Phase 2 also: confirm `pixi run test-structure-check` passes after the
-relocation; confirm the new `docs-build-strict`/`link-check`/
-`spell-check` tasks pass; resolve Open question 2 if `fail_under = 80`
-fails. `pixi run fix` regenerates
-`docs/dev/package-structure/{full,short}.md` — accept those. Leave
-generated `docs/dev/benchmarking/*.csv` and tutorial project outputs
-untracked unless explicitly asked.
-
-## Status checklist
-
-- [ ] Phase 1 complete (P1.1–P1.16) and reviewed via `/review-impl-1`.
-- [ ] Phase 2 verification complete and reviewed via `/review-impl-2`.
-- [ ] ADR promoted to `accepted/`.
-- [ ] Cross-repository follow-ups recorded in `docs/dev/issues/open.md`.
-
-## Suggested Pull Request
-
-**Title:** Stronger, clearer test suite with cross-engine verification
-
-**Description:** This change makes EasyDiffraction's tests easier to
-trust and easier to contribute to. It defines exactly which kind of test
-belongs where (fast unit checks vs. slower engine tests), so the suite
-stays quick day to day and runs the heavy checks on pull requests and
-overnight. It fixes the long-standing red "patch" mark on pull requests
-by correcting how coverage is reported, and raises the coverage target
-while adding smarter tests that probe edge cases (negative, zero, and
-out-of-range inputs), not just lines of code. It adds a new
-**Verification** section to the documentation that calculates the same
-diffraction pattern with each supported engine and shows, with clear
-metrics and overlaid plots, how closely they agree. It also adds an
-every-push documentation check (strict build, working links, spelling)
-and a performance-benchmark suite. Larger overnight checks against many
-real-world crystal files, and comparisons with external software such as
-FullProf, are documented as planned follow-up work.

From ed3d4984fb7fdbf428e7e5eefcce7384b861b8c1 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 19:13:12 +0200
Subject: [PATCH 33/41] Comment out cryspy develop branch

---
 pixi.lock | 26 +++++++++++++++++---------
 pixi.toml |  1 +
 2 files changed, 18 insertions(+), 9 deletions(-)

diff --git a/pixi.lock b/pixi.lock
index 86cf98b67..c093bec4f 100644
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       - pypi: https://files.pythonhosted.org/packages/04/a1/4571fc46e7702de8d0c2dc54ad1b2f8e29328dea3ee90831181f7353d93c/matplotlib-3.10.9-cp312-cp312-win_amd64.whl
@@ -1944,7 +1945,6 @@ environments:
       - pypi: https://files.pythonhosted.org/packages/90/ad/cba91b3bcf04073e4d1655a5c1710ef3f457f56f7d1b79dcc3d72f4dd912/plotly-6.7.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/93/f7/d00d9b4a0313a6be3a3e0818e6375e15da6d7076f4ae47d1324e7ca986a1/radon-6.0.1-py2.py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/94/84/d9273cd09688070a6523c4aee4663a8538721b2b755c4962aafae0011e72/identify-2.6.19-py2.py3-none-any.whl
-      - pypi: https://files.pythonhosted.org/packages/96/5d/0c59079aa7ef34980a5925a06a90ad2b7c94e486c194b3527d557cabb042/cryspy-0.11.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/99/31/6cf181011dc738c33bf6ba7aea2e8e1d3c1f71b7dab1942f3054f66f6202/asteval-1.0.8-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/99/37/e8730c3587a65eb5645d4aba2d27aae48e8003614d6aaf15dda67f702f1f/bidict-0.23.1-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/99/55/db07de81b5c630da5cbf5c7df646580ca26dfaefa593667fc6f2fe016d2e/tabulate-0.10.0-py3-none-any.whl
@@ -2210,6 +2210,7 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/noarch/websocket-client-1.9.0-pyhd8ed1ab_0.conda
       - conda: https://conda.anaconda.org/conda-forge/noarch/zipp-4.1.0-pyhcf101f3_0.conda
       - pypi: .
+      - pypi: git+https://github.com/ikibalin/cryspy.git?branch=38-add-support-for-sycos-and-sysin-for-systematic-peak-position-corrections#4b3d9b022d07f81ecac31de84f75017f971cdcdf
       - pypi: https://files.pythonhosted.org/packages/04/11/432f32f8097b03e3cd5fe57e88efb685d964e2e5178a48ed61e841f7fdce/pyyaml_env_tag-1.1-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/04/5f/9ff93450ba96b09c7c2b3f81c94de31c89f92292f1380261bd7195bea4ea/contourpy-1.3.3-cp314-cp314-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl
       - pypi: https://files.pythonhosted.org/packages/0b/2e/7eea398450457ecb54e18e9d10110993fa65561c4f3add5e8eccd2b9cd41/scipy-1.17.1-cp314-cp314-manylinux_2_27_x86_64.manylinux_2_28_x86_64.whl
@@ -2291,7 +2292,6 @@ environments:
       - pypi: https://files.pythonhosted.org/packages/90/ad/cba91b3bcf04073e4d1655a5c1710ef3f457f56f7d1b79dcc3d72f4dd912/plotly-6.7.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/93/f7/d00d9b4a0313a6be3a3e0818e6375e15da6d7076f4ae47d1324e7ca986a1/radon-6.0.1-py2.py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/94/84/d9273cd09688070a6523c4aee4663a8538721b2b755c4962aafae0011e72/identify-2.6.19-py2.py3-none-any.whl
-      - pypi: https://files.pythonhosted.org/packages/96/5d/0c59079aa7ef34980a5925a06a90ad2b7c94e486c194b3527d557cabb042/cryspy-0.11.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/99/31/6cf181011dc738c33bf6ba7aea2e8e1d3c1f71b7dab1942f3054f66f6202/asteval-1.0.8-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/99/37/e8730c3587a65eb5645d4aba2d27aae48e8003614d6aaf15dda67f702f1f/bidict-0.23.1-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/99/55/db07de81b5c630da5cbf5c7df646580ca26dfaefa593667fc6f2fe016d2e/tabulate-0.10.0-py3-none-any.whl
@@ -2542,6 +2542,7 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/osx-arm64/zlib-1.3.2-h8088a28_2.conda
       - conda: https://conda.anaconda.org/conda-forge/osx-arm64/zstd-1.5.7-hbf9d68e_6.conda
       - pypi: .
+      - pypi: git+https://github.com/ikibalin/cryspy.git?branch=38-add-support-for-sycos-and-sysin-for-systematic-peak-position-corrections#4b3d9b022d07f81ecac31de84f75017f971cdcdf
       - pypi: https://files.pythonhosted.org/packages/04/11/432f32f8097b03e3cd5fe57e88efb685d964e2e5178a48ed61e841f7fdce/pyyaml_env_tag-1.1-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/04/f1/58c14b37525dc075f3bdf149251f079723049a9f1c82eb48835a0e6b8db3/diffpy_pdffit2-1.6.0-cp314-cp314-macosx_11_0_arm64.whl
       - pypi: https://files.pythonhosted.org/packages/06/41/4e70dea1d0311016c0b0b1c53a24a266f9f8a34c6bc1af0f17cfca20aa1d/gemmi-0.7.5-cp314-cp314-macosx_11_0_arm64.whl
@@ -2622,7 +2623,6 @@ environments:
       - pypi: https://files.pythonhosted.org/packages/90/ad/cba91b3bcf04073e4d1655a5c1710ef3f457f56f7d1b79dcc3d72f4dd912/plotly-6.7.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/93/f7/d00d9b4a0313a6be3a3e0818e6375e15da6d7076f4ae47d1324e7ca986a1/radon-6.0.1-py2.py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/94/84/d9273cd09688070a6523c4aee4663a8538721b2b755c4962aafae0011e72/identify-2.6.19-py2.py3-none-any.whl
-      - pypi: https://files.pythonhosted.org/packages/96/5d/0c59079aa7ef34980a5925a06a90ad2b7c94e486c194b3527d557cabb042/cryspy-0.11.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/99/31/6cf181011dc738c33bf6ba7aea2e8e1d3c1f71b7dab1942f3054f66f6202/asteval-1.0.8-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/99/37/e8730c3587a65eb5645d4aba2d27aae48e8003614d6aaf15dda67f702f1f/bidict-0.23.1-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/99/55/db07de81b5c630da5cbf5c7df646580ca26dfaefa593667fc6f2fe016d2e/tabulate-0.10.0-py3-none-any.whl
@@ -2867,6 +2867,7 @@ environments:
       - conda: https://conda.anaconda.org/conda-forge/win-64/zlib-1.3.2-hfd05255_2.conda
       - conda: https://conda.anaconda.org/conda-forge/win-64/zstd-1.5.7-h534d264_6.conda
       - pypi: .
+      - pypi: git+https://github.com/ikibalin/cryspy.git?branch=38-add-support-for-sycos-and-sysin-for-systematic-peak-position-corrections#4b3d9b022d07f81ecac31de84f75017f971cdcdf
       - pypi: https://files.pythonhosted.org/packages/04/11/432f32f8097b03e3cd5fe57e88efb685d964e2e5178a48ed61e841f7fdce/pyyaml_env_tag-1.1-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/0b/f9/f15c95d6b200167cb22c5eca5eecfa9d28a8ee3f74095f1cd2345c71f2f9/pydoclint-0.8.4-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/0c/53/b50773ecf1d1e4a5858ee13011e30317ba02639ae4a1411a34967951fc9b/crysfml-0.6.2-cp314-cp314-win_amd64.whl
@@ -2946,7 +2947,6 @@ environments:
       - pypi: https://files.pythonhosted.org/packages/90/ad/cba91b3bcf04073e4d1655a5c1710ef3f457f56f7d1b79dcc3d72f4dd912/plotly-6.7.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/93/f7/d00d9b4a0313a6be3a3e0818e6375e15da6d7076f4ae47d1324e7ca986a1/radon-6.0.1-py2.py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/94/84/d9273cd09688070a6523c4aee4663a8538721b2b755c4962aafae0011e72/identify-2.6.19-py2.py3-none-any.whl
-      - pypi: https://files.pythonhosted.org/packages/96/5d/0c59079aa7ef34980a5925a06a90ad2b7c94e486c194b3527d557cabb042/cryspy-0.11.0-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/99/31/6cf181011dc738c33bf6ba7aea2e8e1d3c1f71b7dab1942f3054f66f6202/asteval-1.0.8-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/99/37/e8730c3587a65eb5645d4aba2d27aae48e8003614d6aaf15dda67f702f1f/bidict-0.23.1-py3-none-any.whl
       - pypi: https://files.pythonhosted.org/packages/99/55/db07de81b5c630da5cbf5c7df646580ca26dfaefa593667fc6f2fe016d2e/tabulate-0.10.0-py3-none-any.whl
@@ -8907,6 +8907,14 @@ packages:
   - validate-pyproject[all] ; extra == 'dev'
   - versioningit ; extra == 'dev'
   requires_python: '>=3.12'
+- pypi: git+https://github.com/ikibalin/cryspy.git?branch=38-add-support-for-sycos-and-sysin-for-systematic-peak-position-corrections#4b3d9b022d07f81ecac31de84f75017f971cdcdf
+  name: cryspy
+  version: 0.11.0
+  requires_dist:
+  - numpy
+  - scipy
+  - pycifstar
+  - matplotlib
 - pypi: https://files.pythonhosted.org/packages/01/5c/87b5fefdd3c4b157c8a16833f2236723136806814584c4589610217252f0/diffpy_pdffit2-1.6.0-cp312-cp312-macosx_11_0_arm64.whl
   name: diffpy-pdffit2
   version: 1.6.0
diff --git a/pixi.toml b/pixi.toml
index a962edf5f..97eb57b9b 100644
--- a/pixi.toml
+++ b/pixi.toml
@@ -57,6 +57,7 @@ lychee = '*'      # Link checker for documentation
 [feature.dev.pypi-dependencies]
 pip = '*'
 #pycrysfml = { version = ">=0.4.0", index = "https://easyscience.github.io/pypi/" }
+#cryspy = { git = "https://github.com/ikibalin/cryspy.git", branch = "develop" }
 easydiffraction = { path = '.', editable = true, extras = ['dev'] }
 
 # User-like behavior for testing with pip-installed dependencies instead

From fc2e423f18d74af5f8a00698e8ad987ddd4f7e81 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 19:16:12 +0200
Subject: [PATCH 34/41] Add Jorgensen Si verification page to docs nav

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 docs/mkdocs.yml | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/docs/mkdocs.yml b/docs/mkdocs.yml
index 17d27917c..75b6be4fe 100644
--- a/docs/mkdocs.yml
+++ b/docs/mkdocs.yml
@@ -259,7 +259,8 @@ nav:
           - LaB6 (FCJ asymmetry): verification/pd-neut-cwl_tch-fcj-noabs_lab6.ipynb
           - LaB6 (absorption): verification/pd-neut-cwl_tch-fcj_lab6.ipynb
       - Powder, neutron, time-of-flight:
-          - Si: verification/pd-neut-tof_jvd_si.ipynb
+          - Si (Jorgensen): verification/pd-neut-tof_j_si.ipynb
+          - Si (Jorgensen–Von Dreele): verification/pd-neut-tof_jvd_si.ipynb
           - NaCaAlF: verification/pd-neut-tof_jvd_ncaf.ipynb
       - Single crystal, neutron, constant wavelength:
           - Pr2NiO4: verification/sg-neut-cwl_pr2nio4.ipynb

From c8523c884218f1e0506de9dfaa27f68c393d7499 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 19:32:35 +0200
Subject: [PATCH 35/41] Update verification index for canonical pages

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 docs/docs/verification/index.md | 82 +++++++++++++++++++++------------
 1 file changed, 52 insertions(+), 30 deletions(-)

diff --git a/docs/docs/verification/index.md b/docs/docs/verification/index.md
index 41d7cb108..d2a2441ce 100644
--- a/docs/docs/verification/index.md
+++ b/docs/docs/verification/index.md
@@ -4,20 +4,27 @@ icon: material/check-decagram
 
 # :material-check-decagram: Verification
 
-Every page calculates the **same** diffraction pattern with each
-supported EasyDiffraction engine — `cryspy` and `crysfml` — and compares
-them against each other and, where a reference profile is available,
-against external software (FullProf). All on identical input parameters
-and **without any fitting**. Each page defines the structure in code,
-overlays each engine on the reference with a residual panel and
-closeness metrics, and ends with a single agreement table.
+Every page recreates the **same** diffraction pattern in EasyDiffraction
+and compares it against a reference calculated by external software
+(FullProf) on identical input parameters. Each supported engine —
+`cryspy` and `crysfml` — is overlaid on the FullProf reference in turn,
+with a residual panel and closeness metrics, and the page ends with a
+single agreement table.
+
+The structure is defined in code, with every experimental parameter
+taken verbatim from the frozen FullProf `.pcr` files. Each engine first
+calculates with those parameters **without fitting**; where a difference
+remains, a short refinement frees only the disputed parameters to show
+it is a profile-convention difference and not a structural one.
 
 Single-crystal pages compare the calculated F² of each reflection on a
 y=x scatter instead of a profile overlay, and use `cryspy` only — the
 sole engine with single-crystal Bragg support.
 
-Each page also runs as a fast regression check (`pixi run script-tests`
-and `pixi run notebook-tests`), so agreement is monitored over time.
+Most pages also run as a fast regression check (`pixi run script-tests`
+and `pixi run notebook-tests`), so agreement is monitored over time. A
+few are excluded from CI where an engine cannot yet reproduce a modelled
+effect; each such page states the reason below.
 
 Pages are grouped by **experiment type** (sample form, radiation probe,
 and beam mode). Coverage grows to span every supported combination —
@@ -26,30 +33,45 @@ and so on. The list below notes only what is specific to each page.
 
 ## Powder, neutron, constant wavelength
 
-- [LBCO `pd-neut-cwl`](pd-neut-cwl_pv_lbco.ipynb) – La0.5Ba0.5CoO3
-  (cubic perovskite); pseudo-Voigt, no asymmetry.
-- [PbSO4 `pd-neut-cwl`](pd-neut-cwl_pv_pbso4.ipynb) – Anglesite;
-  pseudo-Voigt, no asymmetry.
-- [PbSO4 `pd-neut-cwl`](pd-neut-cwl_pv-asym_empir_pbso4.ipynb) –
-  Anglesite; pseudo-Voigt with empirical (FullProf-style)
-  axial-divergence asymmetry.
-- [LaB6 `pd-neut-cwl`](pd-neut-cwl_tch-fcj_lab6.ipynb) – Lanthanum
-  hexaboride; intended to use Thompson–Cox–Hastings with
-  Finger–Cox–Jephcoat asymmetry plus SyCos/SySin peak-position
-  corrections. Prepared skeleton, skipped — these features are not yet
-  applied, pending EasyDiffraction support.
+- [LBCO `pd-neut-cwl`](pd-neut-cwl_pv_lbco.ipynb) – Lanthanum barium
+  cobaltate (La₀.₅Ba₀.₅CoO₃, _Pm-3m_); pseudo-Voigt, no asymmetry.
+- [PbSO₄ `pd-neut-cwl`](pd-neut-cwl_pv_pbso4.ipynb) – Anglesite (PbSO₄,
+  _Pnma_); pseudo-Voigt, no asymmetry.
+- [PbSO₄ `pd-neut-cwl`](pd-neut-cwl_pv-asym_empir_pbso4.ipynb) –
+  Anglesite (PbSO₄, _Pnma_); pseudo-Voigt with empirical
+  (FullProf-style) axial-divergence asymmetry. Skipped in CI: cryspy and
+  FullProf parameterise the empirical asymmetry differently, and crysfml
+  has no empirical-asymmetry model.
+- [LaB₆ `pd-neut-cwl`](pd-neut-cwl_tch-fcj-noabs-nosldl_lab6.ipynb) –
+  Lanthanum hexaboride (LaB₆, _Pm-3m_); pseudo-Voigt with SyCos/SySin
+  sample-displacement and transparency corrections. Skipped in CI:
+  pending the unreleased cryspy build that adds these corrections.
+- [LaB₆ `pd-neut-cwl`](pd-neut-cwl_tch-fcj-noabs_lab6.ipynb) – Lanthanum
+  hexaboride (LaB₆, _Pm-3m_); Thompson–Cox–Hastings with Finger–Cox–
+  Jephcoat axial-divergence asymmetry. Skipped in CI: FCJ asymmetry is
+  crysfml-only.
+- [LaB₆ `pd-neut-cwl`](pd-neut-cwl_tch-fcj_lab6.ipynb) – Lanthanum
+  hexaboride (LaB₆, _Pm-3m_); adds Debye–Scherrer sample absorption (μR)
+  on top of FCJ asymmetry. Skipped in CI: sample absorption is modelled
+  by neither engine.
 
 ## Powder, neutron, time-of-flight
 
-- [Si `pd-neut-tof`](pd-neut-tof_jvd_si.ipynb) – Silicon; Jorgensen–Von
-  Dreele (pseudo-Voigt with back-to-back exponential asymmetry).
-- [NaCaAlF `pd-neut-tof`](pd-neut-tof_jvd_ncaf.ipynb) – Na2Ca3Al2F14;
-  Jorgensen–Von Dreele (pseudo-Voigt with back-to-back exponential
-  asymmetry).
+- [Si `pd-neut-tof`](pd-neut-tof_j_si.ipynb) – Silicon (Si, _Fd-3m_);
+  Jorgensen (back-to-back exponentials with a Gaussian).
+- [Si `pd-neut-tof`](pd-neut-tof_jvd_si.ipynb) – Silicon (Si, _Fd-3m_);
+  Jorgensen–Von Dreele (back-to-back exponentials with a pseudo-Voigt).
+  Skipped in CI: residual cryspy TOF Lorentzian discrepancy.
+- [NaCaAlF `pd-neut-tof`](pd-neut-tof_jvd_ncaf.ipynb) – Sodium calcium
+  aluminium fluoride (Na₂Ca₃Al₂F₁₄, _I2₁3_); Jorgensen–Von Dreele.
+  Skipped in CI: the FullProf reference uses a tabulated
+  instrument-resolution file that the polynomial profile cannot
+  reproduce.
 
 ## Single crystal, neutron, constant wavelength
 
-- [Pr2NiO4 `sg-neut-cwl`](sg-neut-cwl_pr2nio4.ipynb) – Pr2NiO4:Sr
-  (K2NiF4-type, Fmmm); per-reflection F² against FullProf with
-  anisotropic ADPs, partial occupancies, and a split interstitial
-  oxygen. `cryspy` only; no peak profile (integrated intensities).
+- [Pr₂NiO₄ `sg-neut-cwl`](sg-neut-cwl_pr2nio4.ipynb) – Strontium-doped
+  praseodymium nickelate (Pr₂NiO₄:Sr, K₂NiF₄-type, _Fmmm_);
+  per-reflection F² against FullProf with anisotropic ADPs, partial
+  occupancies, and a split interstitial oxygen. `cryspy` only;
+  integrated intensities, no peak profile.

From 11dd697bc99cb2e585661c4941fbdb904baf9ff5 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 19:37:17 +0200
Subject: [PATCH 36/41] Re-theme metrics box background on dark-theme switch

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 src/easydiffraction/display/plotters/plotly.py       | 12 ++++++++++++
 .../easydiffraction/display/plotters/test_plotly.py  |  6 ++++++
 2 files changed, 18 insertions(+)

diff --git a/src/easydiffraction/display/plotters/plotly.py b/src/easydiffraction/display/plotters/plotly.py
index 436a10b7d..55a4802d0 100644
--- a/src/easydiffraction/display/plotters/plotly.py
+++ b/src/easydiffraction/display/plotters/plotly.py
@@ -164,6 +164,9 @@ def _packaged_asset(relative_path: str) -> str:
 THEME_SYNC_META_KEY = 'ed_plotly_theme_sync'
 THEME_SYNC_AXIS_FRAME_SHAPE_INDEXES_KEY = 'axis_frame_shape_indexes'
 THEME_SYNC_CORRELATION_HEATMAP_KEY = 'correlation_heatmap'
+# Name tag on the top-left metrics box so the theme-switch script can
+# re-theme its background and border (not just its font colour).
+_METRICS_ANNOTATION_NAME = 'ed-metrics-box'
 
 
 def _typed_arrays_to_float32(value: object) -> object:
@@ -1329,6 +1332,11 @@ def _theme_sync_post_script() -> str:
     );
     for (let index = 0; index < annotations.length; index += 1) {
         update['annotations[' + index + '].font.color'] = colors.foreground;
+        const annotation = annotations[index];
+        if (annotation && annotation.name === '__METRICS_ANNOTATION_NAME__') {
+            update['annotations[' + index + '].bgcolor'] = colors.legend;
+            update['annotations[' + index + '].bordercolor'] = colors.axisFrame;
+        }
     }
 };
 
@@ -1508,6 +1516,7 @@ def _theme_sync_post_script() -> str:
 """
         return (
             script
+            .replace('__METRICS_ANNOTATION_NAME__', _METRICS_ANNOTATION_NAME)
             .replace('__THEME_SYNC_META_KEY__', THEME_SYNC_META_KEY)
             .replace(
                 '__THEME_SYNC_AXIS_FRAME_SHAPE_INDEXES_KEY__',
@@ -2726,6 +2735,9 @@ def _add_metrics_annotation(cls, fig: object, lines: tuple[str, ...]) -> None:
         # Anchor at the top-left corner with equal pixel margins so the
         # left and top gaps match regardless of the panel aspect ratio.
         fig.add_annotation(
+            # Tagged so the theme-switch script re-themes this box's
+            # background and border, not just its font colour.
+            name=_METRICS_ANNOTATION_NAME,
             text='<br>'.join(lines),
             xref='x domain',
             yref='y domain',
diff --git a/tests/unit/easydiffraction/display/plotters/test_plotly.py b/tests/unit/easydiffraction/display/plotters/test_plotly.py
index fd34ad3c4..5a69f5670 100644
--- a/tests/unit/easydiffraction/display/plotters/test_plotly.py
+++ b/tests/unit/easydiffraction/display/plotters/test_plotly.py
@@ -248,6 +248,12 @@ def test_html_post_script_carries_theme_resize_and_legend_toggle():
     assert 'const correlationColorscale = function (colors) {' in post_script
     assert 'const themeSync = meta.ed_plotly_theme_sync;' in post_script
     assert 'const applyAnnotationTheme = function (update, colors) {' in post_script
+    # The top-left metrics box must re-theme its background and border on a
+    # theme switch, not just its font colour (its baked light bgcolor would
+    # otherwise survive the dark switch).
+    assert "annotation.name === 'ed-metrics-box'" in post_script
+    assert "].bgcolor'] = colors.legend;" in post_script
+    assert "].bordercolor'] = colors.axisFrame;" in post_script
     assert 'const shapeIndexes = themeSync.axis_frame_shape_indexes;' in post_script
     assert 'if (themeSync.correlation_heatmap !== true) {' in post_script
     assert 'window.Plotly.restyle(' in post_script

From 2813ae2d5900ad30c8046f1da13aa98b92d13113 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 19:37:51 +0200
Subject: [PATCH 37/41] Generalize refinement wording in verification index

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 docs/docs/verification/index.md | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/docs/docs/verification/index.md b/docs/docs/verification/index.md
index d2a2441ce..636ff72d5 100644
--- a/docs/docs/verification/index.md
+++ b/docs/docs/verification/index.md
@@ -15,7 +15,8 @@ The structure is defined in code, with every experimental parameter
 taken verbatim from the frozen FullProf `.pcr` files. Each engine first
 calculates with those parameters **without fitting**; where a difference
 remains, a short refinement frees only the disputed parameters to show
-it is a profile-convention difference and not a structural one.
+it comes from how an experiment parameter is defined between the codes,
+not from a disagreement about the structure.
 
 Single-crystal pages compare the calculated F² of each reflection on a
 y=x scatter instead of a profile overlay, and use `cryspy` only — the

From a209ef398a466b35d131b88e7eaac280850c71d9 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 20:01:08 +0200
Subject: [PATCH 38/41] Split nightly tests into per-tier steps with output
 checks

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 .github/workflows/nightly.yml | 26 ++++++++++++++++++++++++--
 pixi.toml                     |  6 ------
 2 files changed, 24 insertions(+), 8 deletions(-)

diff --git a/.github/workflows/nightly.yml b/.github/workflows/nightly.yml
index c8c5e85e0..9d605e425 100644
--- a/.github/workflows/nightly.yml
+++ b/.github/workflows/nightly.yml
@@ -31,10 +31,32 @@ jobs:
       - name: Set up pixi
         uses: ./.github/actions/setup-pixi
 
-      - name: Run the full test suite (all tiers)
-        run: pixi run test-all
+      # Run each tier as its own step for per-suite visibility. The two
+      # tutorial steps must stay sequential — they share
+      # tmp/tutorials/projects/ — so they run as ordered steps rather than
+      # a single depends-on aggregate. `if: ${{ !cancelled() }}` lets a
+      # failure in one tier still report the others.
+      - name: Unit tests
+        run: pixi run unit-tests
+
+      - name: Functional tests
+        if: ${{ !cancelled() }}
+        run: pixi run functional-tests
+
+      - name: Integration tests
+        if: ${{ !cancelled() }}
+        run: pixi run integration-tests
+
+      - name: Tutorials as scripts + output check
+        if: ${{ !cancelled() }}
+        run: pixi run script-tests-checked
+
+      - name: Tutorials + verification notebooks + output check
+        if: ${{ !cancelled() }}
+        run: pixi run notebook-tests-checked
 
       - name: Run performance benchmarks
+        if: ${{ !cancelled() }}
         run: pixi run benchmarks
 
       - name: Upload benchmark results
diff --git a/pixi.toml b/pixi.toml
index 97eb57b9b..6241ac7b1 100644
--- a/pixi.toml
+++ b/pixi.toml
@@ -138,12 +138,6 @@ notebook-tests-checked = { cmd = 'python -m pytest tests/tutorials/ --color=yes
 ], env = { EASYDIFFRACTION_ARTIFACT_ROOT = 'tmp/tutorials' } }
 
 test = { depends-on = ['unit-tests', 'functional-tests'] }
-test-all = { depends-on = [
-  'unit-tests',
-  'functional-tests',
-  'integration-tests',
-  'script-tests',
-] }
 
 # Full local gate before opening a PR: every static check, unit coverage,
 # all tests, tutorial execution + output verification (as scripts AND

From fb370e8c7ab657164099a09d73725b1001a47d40 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 20:01:50 +0200
Subject: [PATCH 39/41] Align pypi-test concurrency group with nightly

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 .github/workflows/pypi-test.yml | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/.github/workflows/pypi-test.yml b/.github/workflows/pypi-test.yml
index 8266285b1..9d6ffa3b8 100644
--- a/.github/workflows/pypi-test.yml
+++ b/.github/workflows/pypi-test.yml
@@ -10,7 +10,7 @@ on:
 # Allow only one concurrent workflow, skipping runs queued between the run
 # in-progress and latest queued. And cancel in-progress runs.
 concurrency:
-  group: ${{ github.workflow }}-${{ github.event.pull_request.number || github.ref }}
+  group: ${{ github.workflow }}-${{ github.ref }}
   cancel-in-progress: true
 
 permissions:

From 11585168a28d07fa154e36b11660e9de81c52c44 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 20:08:16 +0200
Subject: [PATCH 40/41] Drop dead env vars and report all tiers in pypi-test

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 .github/workflows/pypi-test.yml | 7 ++-----
 1 file changed, 2 insertions(+), 5 deletions(-)

diff --git a/.github/workflows/pypi-test.yml b/.github/workflows/pypi-test.yml
index 9d6ffa3b8..3dea22e42 100644
--- a/.github/workflows/pypi-test.yml
+++ b/.github/workflows/pypi-test.yml
@@ -16,11 +16,6 @@ concurrency:
 permissions:
   contents: read
 
-# Set the environment variables to be used in all jobs defined in this workflow
-env:
-  CI_BRANCH: ${{ github.head_ref || github.ref_name }}
-  DEFAULT_BRANCH: ${{ github.event.repository.default_branch }}
-
 jobs:
   # Job 1: Test installation from PyPI on multiple OS
   pypi-package-tests:
@@ -77,10 +72,12 @@ jobs:
         run: pixi run python -m pytest ../tests/unit/ --color=yes -v
 
       - name: Run functional tests to verify the installation
+        if: ${{ !cancelled() }}
         working-directory: easydiffraction
         run: pixi run python -m pytest ../tests/functional/ --color=yes -v
 
       - name: Run integration tests to verify the installation
+        if: ${{ !cancelled() }}
         working-directory: easydiffraction
         run: pixi run python -m pytest ../tests/integration/ --color=yes -n auto
 

From 938e1df1340ef214c6a7cdea6f014550c9a5dfa2 Mon Sep 17 00:00:00 2001
From: Andrew Sazonov <andrew.sazonov@icloud.com>
Date: Tue, 9 Jun 2026 20:09:35 +0200
Subject: [PATCH 41/41] Rename nightly.yml to nightly-test.yml

Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
---
 .github/workflows/{nightly.yml => nightly-test.yml} |  0
 .github/workflows/test.yml                          |  2 +-
 docs/dev/testing-guide.md                           | 10 +++++-----
 3 files changed, 6 insertions(+), 6 deletions(-)
 rename .github/workflows/{nightly.yml => nightly-test.yml} (100%)

diff --git a/.github/workflows/nightly.yml b/.github/workflows/nightly-test.yml
similarity index 100%
rename from .github/workflows/nightly.yml
rename to .github/workflows/nightly-test.yml
diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml
index 0f67fcf15..f85c820c8 100644
--- a/.github/workflows/test.yml
+++ b/.github/workflows/test.yml
@@ -60,7 +60,7 @@ jobs:
       # Select the test cost tier by branch (see ADR test-suite-and-validation):
       # the pr tier runs on develop/master and pull requests; feature-branch
       # pushes run only the default (fast) tier. The nightly tier runs
-      # separately in nightly.yml.
+      # separately in nightly-test.yml.
       - name: Set test tier marker expression
         id: set-mark
         run: |
diff --git a/docs/dev/testing-guide.md b/docs/dev/testing-guide.md
index 6812dc11e..e2464ed2a 100644
--- a/docs/dev/testing-guide.md
+++ b/docs/dev/testing-guide.md
@@ -41,11 +41,11 @@ test file for a new module with `tools/gen_tests_scaffold.py`.
 Tiers select _when_ a test runs in CI; they are independent of the
 layer.
 
-| Tier        | Marker                 | Runs on                                        |
-| ----------- | ---------------------- | ---------------------------------------------- |
-| **fast**    | (none — the default)   | every push, every pull request, and nightly    |
-| **pr**      | `@pytest.mark.pr`      | pull requests and `develop`/`master`           |
-| **nightly** | `@pytest.mark.nightly` | the scheduled nightly job only (`nightly.yml`) |
+| Tier        | Marker                 | Runs on                                             |
+| ----------- | ---------------------- | --------------------------------------------------- |
+| **fast**    | (none — the default)   | every push, every pull request, and nightly         |
+| **pr**      | `@pytest.mark.pr`      | pull requests and `develop`/`master`                |
+| **nightly** | `@pytest.mark.nightly` | the scheduled nightly job only (`nightly-test.yml`) |
 
 Integration tests are `pr`-tier by default — they are auto-marked in
 `tests/integration/conftest.py` because they use real engines. Escalate