Newer
Older
===================
Diffraction Changes
===================
.. contents:: Table of Contents
:local:
.. warning:: **Developers:** Sort changes under appropriate heading
putting new features at the top of the section, followed by
improvements, followed by bug fixes.
Martyn Gigg
committed
Improvements
############
- SNAP instrument geometry updated to include downstream monitor.
- :ref:`LoadILLDiffraction <algm-LoadILLDiffraction>` will not flip the even-numbered tubes when using the calibrated data, since they are flipped already in the nexus files.
- :ref:`PowderDiffILLDetScanReduction <algm-PowderDiffILLDetScanReduction>` will scale the counts by 1M, when normalisation to monitor is requested, and it will also offer to enable/disable the tube alignment, and offer tube by tube reduction.
- :ref:`PowderDiffILLDetEffCorr <algm-PowderDiffILLDetEffCorr>` now offers to use the raw or calibrated data blocks in the nexus files.
- :ref:`SNAPReduce <algm-SNAPReduce>` now has progress bar and all output workspaces have history
- :ref:`SNAPReduce <algm-SNAPReduce>` has been completely refactored. It now uses :ref:`AlignAndFocusPowderFromFiles <algm-AlignAndFocusPowderFromFiles>` for a large part of its functionality. It has progress bar and all output workspaces have history. It is also more memory efficient by reducing the number of temporary workspaces created.
Peterson, Peter
committed
- :ref:`AlignAndFocusPowder <algm-AlignAndFocusPowder>` and :ref:`AlignAndFocusPowderFromFiles <algm-AlignAndFocusPowderFromFiles>` now support outputting the unfocussed data and weighted events (with time). This allows for event filtering **after** processing the data.
- :ref:`AlignAndFocusPowderFromFiles <algm-AlignAndFocusPowderFromFiles>` has a significant performance improvement when used with chunking
- :ref:`LoadWAND <algm-LoadWAND>` has grouping option added and loads faster
- Mask workspace option added to :ref:`WANDPowderReduction <algm-WANDPowderReduction>`
- :ref:`Le Bail concept page <Le Bail Fit>` moved from mediawiki
- Rework of :ref:`powder diffraction calibration <Powder Diffraction Calibration>` documentation
Single Crystal Diffraction
--------------------------
Improvements
############
- :ref:`IntegratePeaksProfileFitting <algm-IntegratePeaksProfileFitting>` now supports MaNDi, TOPAZ, and CORELLI. Other instruments can easily be added as well. In addition, the algorithm can now automatically generate a strong peaks library is one is not provided. Peakshapes will be learned to improve initial guesses as the strong peak library is generated.
- :ref:`MDNormSCD <algm-MDNormSCD>` now can handle merged MD workspaces.
- :ref:`StartLiveData <algm-StartLiveData>` will load "live"
data streaming from TOPAZ new Adara data server.
- :ref:`IntegratePeaksMD <algm-IntegratePeaksMD>` with Cylinder=True now has improved fits using BackToBackExponential and IkedaCarpenterPV functions.
- :ref:`SaveIsawPeaks <algm-SaveIsawPeaks>` now has option to renumber peaks sequentially.
- SCD Event Data Reduction Diffraction Interface now has option to create MD HKL workspace.
- :ref:`IntegratePeaksUsingClusters <algm-IntegratePeaksUsingClusters>` will now treat NaN's as background.
- :ref:`SetCrystalLocation <algm-SetCrystalLocation>` is a new algorithm to set the sample location in events workspaces.
Bugfixes
########
- :ref:`CentroidPeaksMD <algm-CentroidPeaksMD>` now updates peak bin counts.
- :ref:`FindPeaksMD <algm-FindPeaksMD>` now finds peaks correctly with the crystallography convention setting and reduction with crystallography convention is tested with a system test.
- :ref:`SaveIsawPeaks <algm-SaveIsawPeaks>` does not have duplicate peak numbers when saving PeaksWorkspaces with more than one RunNumber.
- :ref:`LoadIsawPeaks <algm-LoadIsawPeaks>` now loads the calibration from the peaks file correctly.
- :ref:`OptimizeCrystalPlacement <algm-OptimizeCrystalPlacement>` now updates the sample location used by peaks. Previously, the sample was effectively left unmoved. Default for indexing tolerance was lowered to 0.15.
Improvements
############
- Focusing in texture mode for Gem now properly saves .gda files.
- Focusing on Gem now crops values that would be divided by very small or zero vanadium values
- Removed save_angles flag for Gem , as it was set by the texture mode.
- Added save_all flag to Gem that is set to true by default, setting it to false disables the saving of .NXS files.
- Added subtract_empty_instrument flag to Gem that is true by default, setting it to false disables subrtracting the empty.
- Changed spline coefficient so that the default for long_mode on and long_mode off can be set separately.
- Focus on Pearl now has a focused_bin_widths parameter in pearl_advanced_config.py to allow setting default rebin values.
- Focus on Pearl now saves out xye_tof files.
- :ref:`PDLoadCharacterizations <algm-PDLoadCharacterizations>` now sets the same run numbers for all rows when using an ``exp.ini`` file.
- Focus now checks if the vanadium for a run is already loaded before loading it in to prevent reloading the same vanadium multiple times.
Bugfixes
########
- multiple_scattering flag is now optional for Polaris focus when absorb_correction is true.
- Normalisation is fixed in :ref:`SumOverlappingTubes <algm-SumOverlappingTubes>`, which was causing very low peak to background ratio for reduced D2B data.
- sudden drops at either end of spectra in Pearl caused by partial bins are now cropped.
- The Powder Diffraction GUI now remembers whether linear or logorithmic binning was selected between uses
- :ref:`HB2AReduce <algm-HB2AReduce>` algorithm reduces HFIR POWDER (HB-2A) data
- :ref:`LoadGudrunOutput <algm-LoadGudrunOutput>` is a new algorithm that allows users to load the standard Gudrun output files into Mantid.