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Diffraction Changes¶

PredictFractionalPeaks works for peaks off the detector

Table of Contents

Single Crystal Diffraction ¶

* PredictFractionalPeaks now has the option to specify a reflection condition to restrict the number of peaks predicted, along with the option to not require a predicted peak to hit a detector. *
SaveHKL now saves the tbar and transmission values for shapes and materials provided by SetSample.
SelectCellOfType and SelectCellWithForm now return the transformation matrix
* IndexPeaks now has options to enter modulation vectors and additional information required for satellite peak indexing. As a result IndexPeaksWithSatellites has been deprecated and will be removed in a future release. *
Bugs in LoadIsawPeaks and SaveIsawPeaks for WISH have been fixed.
Added IDF for DEMAND (HB3A upgrade)

IndexPeaks has been fixed so that it correctly reports the number of main & satellite reflections that have been indexed. Also, if a satellite peak cannot be indexed its HKL is reset to 000 rather than accidentally setting it to the HKL of the main reflection.

The HRPD scripts now mask out the Bragg peaks from the Vanadium.
The file-naming scheme for ISIS powder is now controlled by a string template
The file-naming of output on HRPD as been updated to closely match old script outputs
The ISIS powder scripts for HRPD now integrate over the whole wavelength range by default when calculating the efficiency correction.
Geometry definition for LLB 5C1
SNAPReduce has an additional parameter MaxChunkSize for customizing the chunking behavior
LorentzCorrection has an additional parameter Type for SingleCrystalTOF (default) or PowderTOF
The create_total_scattering_pdf method in Polaris scripts now supports merging banks with a weighted mean.
The create_total_scattering_pdf method in Polaris scripts now applies the Placzek self scattering correction from CalculatePlaczekSelfScattering.
Cropping limits can now be set as a fraction of the data limits for ISIS Powder focusing as well as absolute values.

The values used to mask the prompt pulse on HRPD have been fixed.
AlignAndFocusPowderFromFiles will reload the instrument if logs are skipped
Fixed issue with WANDPowderReduction handling of event workspaces
Fixed issues with OptimizeLatticeForCellType, SelectCellOfType, SelectCellWithForm and TransformHKL when using modulated structures.

* See associated Image *