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Estimate Gaussian width from normalized derivate#87

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rcjackson merged 9 commits into
ARM-DOE:mainfrom
jtgasparik:calculate_sigma
Jun 12, 2026
Merged

Estimate Gaussian width from normalized derivate#87
rcjackson merged 9 commits into
ARM-DOE:mainfrom
jtgasparik:calculate_sigma

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@jtgasparik

@jtgasparik jtgasparik commented Jun 11, 2026

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The components of this PR include:

  1. Added function to compute the Gaussian width ($\sigma$) using weighted least squared for the subset of data points in the normalized derivative that correspond to the smallest $d^{2}$ value.
  2. Fixed the unit issue so that all time units are in $\mu s$ as aligned with Monteki and Kondo (2008).
  3. Modified tests to use newly incorporated PSL dataset in arm-test-data. This dataset provides clean scattering signals better suited for code testing.
  4. Added function to plot the $I'/I$ line from associated $\tau$ and $\sigma$ parameters.

@jtgasparik jtgasparik requested a review from rcjackson June 11, 2026 19:22
@rcjackson

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@jtgasparik I added a commit to your PR adding arm-test-data to the document build environment since that was failing. This was a hiccup on my end so I went ahead and put that in. You should pull that change to your branch accordingly.

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Once the unit tests pass, I am good with this PR.

@rcjackson rcjackson merged commit cdab7be into ARM-DOE:main Jun 12, 2026
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2 participants