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Diffraction Changes¶

Powder Diffraction ¶

New features ¶

LoadEventAndCompress has been updated to take advantage of new capability in LoadEventNexus
Added option to AlignAndFocusPowder to support logarithmic compression
AlignAndFocusPowderFromFiles has been updated to take advantage of new capability in LoadEventNexus and AlignAndFocusPowder
SNSPowderReduction has been updated to take advantage of new capabilities in AlignAndFocusPowderFromFiles and AlignAndFocusPowder

Bugfixes ¶

Fix bug in DiffractionFocussing not properly accumulating data when CompressEvents prior to it in PreserveEvents=False mode
Fix bug where compression isn’t run when logarithmic is selected in AlignAndFocusPowder
Refine error message when applying absorption correction with missing sample details in powder diffraction scripts
Defect since 6.9.0: fix bug in PDCalibration where input pixels with empty event lists were no longer being masked
Fix bug in the calibration diagnostics plotting where the solid angle of detectors were not extracted successfully

Engineering Diffraction ¶

New features ¶

Bugfixes ¶

Fixed a crash in Fitting tab of Engineering Diffraction interface when a fit is re-run for a function like PseudoVoigt that contains FWHM parameter as the peak function.

Single Crystal Diffraction ¶

New features ¶

A new output property, Cells, has been added to ShowPossibleCells that includes the cell information in a usable way
New algorithm SaveMDHistoToVTK that saves a MDHistoWorkspace as a VTK file so that it can be visualized by Paraview.
New algorithm FindMultipleUMatrices to find multiple UB matrices (given lattice parameters) for sample with multiple domains or spurious peaks.
Add method find_consistent_ub to ISIS single-crystal reduction classes to find a UB that preserves indexing given a reference workspace (at different goniometer angle(s))
Add method optimize_goniometer_axis to ISIS single-crystal reduction classes to optimise the goniometer axes and angles given a sequence of workspaces at different goniometer angle with consistent UBs
Improve determination of background bins by minimising third-moment (skew) in IntegratePeaksSkew by forcing skew > 0 (minimum skew would expect in background)
Add cabability to not integrate peaks which include a masked detector in the following algorithms
Improve shoebox position optimisation in IntegratePeaks1DProfile - would previously be centred on nearby stronger peaks if present.
Add method calc_absorption_weighted_path_lengths to ISIS single-crystal reduction classes that calculate tbar for each peak (saved in a column of the table) and optionally apply an attenuation correction to the integrated intensity of each peak. By default the correction will be applied if class has property scale_integrated = True)
Update to algorithm AddAbsorptionWeightedPathLengths that now allows lean peaks to be used. There is also an option to apply the correction.

Bugfixes ¶

LoadWANDSCD now keeps the sgl/sgu angles set by the goniometer
ConverWANDSCDToQ simplifies the underlying code by using histograms directly

Release 6.11.0