Diffraction Changes¶

Powder Diffraction ¶

A new method named getFittingParameter has been added to Mantid::Geometry::Component class and exposed to python to access fitting parameters from components in instrument definition file
Enable user defined sample and container geometry together with the definition of gauge volume to account for the beam size. Implementation made in SNSPowderReduction and mantid.utils.absorptioncorrutils.

New verison of PoldiAutoCorrelation v6 that supports the new detector geometry on POLDI post upgrade (in December 2024). For older POLDI data please use the previous version (PoldiAutoCorrelation v5 by calling the algorithm with keyword argument Version=5).
Helper functions in poldi_utils to load POLDI data post detector upgrade (currently ASCII format with no meta-data) and simulate the spectra in a Workspace2D from an input powder spectrum. The functions can be imported in a script like so from plugins.algorithms.poldi_utils import *.
Renamed Crop Calibration within the Engineering Diffraction calibration interface to Set Calibration Region of Interest to more accurately reflect its functionality.
Renamed Custom CalFile to Custom Grouping File and allowed the provided file to be .xml as well as .`cal. This brings it inline with the current detector grouping IO algorithms, SaveDetectorsGrouping v1 and LoadDetectorsGroupingFile v1.
Changed the naming suffix for custom file example_group.xml from _Custom to _Custom_example_group so they don’t get overwritten when custom grouping is changed (also more clear to the user what grouping is being used).
Changed the naming suffix for cropped spectrum list: example_list from _Cropped to _Cropped_example_list so they don’t get overwritten when custom grouping is changed (also more clear to the user what grouping is being used).
Added a warning to Focusing for when the vanadium normalisation has been loaded from the ADS

Within AbsorptionCorrection v1 algorithm, when Rasterize is called, it now takes both the Integration Volume Shape and the Sample Shape to calculate L1 paths. Before, it would only take the integration volume and would assume that the paths within this shape are equal to the paths within the sample.
#38882 : Fix issue with GSAS-II GSASIIscriptable.py hard-coded path which is invalid for newer version of GSAS-II (versions 5758 and later).
When Focusing, either within the interface or in a script, you should no longer be able to unknowingly apply an outdated vanadium correction. Previously, when focusing had already been run on a user defined region of interest (Custom or Cropped), the vanadium correction was calculated and saved in the ADS as engggui_curves_Custom or engggui_curves_Cropped. If this ROI was then updated and recalibrated, when focus was run again, it would load the existing engggui_curves from the ADS which would be from the old ROI. Now, the naming of these files should be more unique to the specific ROI, and in the case where a file is loaded from the ADS which may be wrong, a warning is supplied to the user.

Added detectorbin peak shape for the peaks integrated with IntegratePeaks1DProfile integration algorithm.
By accessing the detectorbin peak shape, users can now view the detector IDs and the corresponding range in the X dimension associated with each detector for each successfully integrated peak from the algorithm.