Diffraction Changes#

Powder Diffraction#

FitPeaks v1 and PDCalibration v1 now take a boolean flag to optionally disable inheriting initial peak-shape parameters from the most recently successful peak fit within the same spectrum.
New algorithm CylinderAbsorptionCW for calculating absorption and multiple scattering corrections for cylindrical samples with constant wavelength and in-plane scattering only.
LoadDiffCal v1 no longer requires the instrument to be resolvable. If the instrument definition file cannot be found or loaded, the grouping and mask workspaces are created directly from the detector IDs stored in the calibration file. This also includes a change to AlignAndFocusPowderSlim v1 to skip the instrument for loading the calibration information.
The POLARIS ISIS Powder Scripts have a new option in create_total_scattering_pdf. Entering values for the stitch_points, overlap_width, and stitch_lims parameters will allow the output workspace to be stitched without rebinning when merge_banks is set.

The Engineering Diffraction interface GSAS-II tab allows filtering the region when loading focused data.
Add new IDF for new VULCAN instrument configuration

The Engineering Diffraction interface now honors the GSAS-II timeout value from the settings panel.
Fix bug where not having IDF for some of the pixels resulted in an exception. Now those events are skipped.
For TextureUtils.create_pf with save_ascii = True and create_combined_output = True an error is no longer thrown when spectra contain different sized histograms

Algorithm IntegratePeaksMD v2 better handles un-indexed peaks in HKL mode, warnings are given and numeric issues with ellipse finding are avoided by falling back to spherical integration.