Diffraction Changes#
Powder Diffraction#
New features#
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.
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.
The POLARIS ISIS Powder Scripts have a new option in
create_total_scattering_pdf. Entering values for thestitch_points,overlap_width, andstitch_limsparameters will allow the output workspace to be stitched without rebinning whenmerge_banksis set.
Bugfixes#
Engineering Diffraction#
New features#
The Engineering Diffraction interface GSAS-II tab allows filtering the region when loading focused data.
Bugfixes#
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.
Single Crystal Diffraction#
New features#
Updated IDF for MANDI with latest detector positions calibrated with garnet
Bugfixes#
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.