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).

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.
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.