Calculate and plot a pattern without measured data#198
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AndrewSazonov
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You can now simulate a diffraction pattern straight from a crystal structure and instrument settings — no measured data file required. Set the calculation range (in 2θ for constant-wavelength or time-of-flight for TOF instruments), or just accept the sensible defaults, and EasyDiffraction computes the pattern and shows a two-panel view: the calculated curve with its background on the main panel, plus a Bragg reflection-marker row. This makes it easy to preview what a candidate structure should look like, to teach, or to generate a synthetic pattern before any measurement exists. Fitting still requires measured data, as before.