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Diffraction Changes¶

Powder Diffraction ¶

AlignAndFocusPowder has been modified to utilize the new binning parameters added to DiffractionFocussing.
The ability to define the output binning of each spectra has been added to DiffractionFocussing.
Move pystog from v0.2.7 to v0.5.0 which supports numpy v2
New container type added in for POWGEN instrument and accordingly the SNSPowderReduction interface has been updated to accommodate this new container type.
New focus mode “trans_custom” added to PEARL powder routine which allows a user to specify modules to include in the transverse bank focusing using the parameter trans_mod_nums. The module numbers in the range 1-9 can be specified using the same string syntax as run-numbers - e.g. trans_mod_nums=”1-3,5” corresponds to focusing modules 1,2,3 and 5.

Fix the issue with the InterpolateBackground algorithm.
Fix bug where unable to call create_vanadium without setting sample details in ISIS Powder Diffraction Scripts.

A new peak shape named PeakShapeDetectorBin was introduced to save the detector IDs and bin indices of either TOF or dSpacing domains. This peak shape could be used for Overlap detection, Two-step integration and Eventual visualisation on instrument view.
Add option SeparateBatchNumbers to SaveReflections to write a different batch number/scale factor ID for each run.
Small usability improvements to ISIS Single Crystal Diffraction Reduction Classes:
- Allow users to pass key-word arguments to methods save_peak_table and save_all_peaks (passed to SaveReflections)
- Make saving of .nxs file of peak tables in above methods optional using argument save_nxs (default is True)
- Check UB filepath exists in method load_isaw_ub
- Added option to set min I/Sigma min_intens_over_Sigma in method remove_non_integrated_peaks (default is 0)