Diffraction Changes#

Powder Diffraction#

POLARIS now provides sensible starting parameters for Back2BackExponential
AlignAndFocusPowderSlim v1 now accepts a CalibrationWorkspace and a MaskWorkspace. When supplied, these take precedence over the corresponding information in CalFileName. AlignAndFocusPowderFromFiles v1 has been updated to pass these parameters to AlignAndFocusPowderSlim v1.

ISIS Powder SampleDetails now accepts a number_density_units argument which can be set appropriately to fix issues where total scattering S(Q)-1 does not tend to 0 at high Q when number density has been provided as: formula units per volume (see number_density_unit).

The obsolete properties UnwrapRef, LowResRef and LowResSpectrumOffset have been removed from AlignAndFocusPowder, AlignAndFocusPowderFromFiles and SNSPowderReduction.

New Texture Planning User Interface for aiding the user in planning and executing Texture Analysis experiments. See the linked docs for more information.
In Engineering Diffraction interface the settings now supports saving experiment specific settings, based on RB Number. Previous behaviour was that every time a setting was changed it would overwrite the previous saved version of the setting, where as now, it will overwrite the previous version saved for that RB Number. This allows users to return to experiments and find have specific settings have been remembered.
In Engineering.EnggUtils, focusing using the focus_run method will now adjust the calibration DIFCs per detector pixel to account for an offset in the scattering volume centre-of-mass (due to sample partially illuminated within the gauge volume). This is only done when both a Sample Shape and Gauge Volume are present on the Workspace.
In Engineering Diffraction interface the GSASII tab now supports CIF file selection from a list of defaults distributed with Mantid.

HB3AAdjustSampleNorm v1 can now output an unnormalized Q-sample event workspace and a separate normalization workspace for use with MDNorm v1.
SCDCalibratePanels has a new WavelengthFromUB option to derive each peak’s wavelength from Bragg’s law using the UB matrix and its integer HKL instead of from the measured TOF. This is intended for quasi-Laue workflows, where a peak’s TOF-derived wavelength can be unreliable, but it also works for standard time-of-flight Laue data.
On WISH the Back2BackExponential starting parameter values have been updated post upgrade, late 2025
MDNorm can now normalize monochromatic single crystal diffraction data (e.g. WAND, DEMAND) using a pre-computed normalization workspace, via the new MonoSCDNormalizationWorkspace property.

Fixed the Counts vanadium normalization option in LoadWANDSCD v1 so detector counts are scaled by the mean vanadium signal when applying the vanadium correction.