4.2

Direct Inelastic Changes

Improvements

  • MDNormDirectSC has an option to skip safety checks. This improves the speed when acting on workspace groups.
  • The ExportSpectraMask algorithm was added to Mantid, along with documentation, unit tests and a Python GUI. The algorithm exports a list of masked spectra and the list can be saved as a single ISIS .msk file. The export mask procedure is often used by instrument scientists in ISIS, and they had to initialize qtiGenie to do this operation before these changes.
  • GetEiMonDet has had a complete rewrite. Version 2 utilises the elastic peak position data generated by FindEPP. The detectors of interest are specified by their indices instead of their distance from the sample. The revised algorithm is able to deal with cases where neutrons arrive at the detectors in a later time frame.
  • MaskDetectors has been modified to work on grouped spectra. If a detector of the workspace is masked then the relevant spectra of the target workspace become masked(zero). Masks defined by .xml files, produced by SaveMask algorithm, can be applied to workspaces containing mapped spectra that has been obtained from ISIS instruments.
  • LoadMask was modified to accept a spectra mask and a spectra-detector map. This allows the use of old legacy .msk files to generate a masked workspace, use old spectra masks on workspaces with different groupings and spectra-detector maps.
  • The algorithm MagFormFactorCorrection will scale an input workspace by 1/|F(Q)|^2, where F(Q) is the magnetic form factor for a specified magnetic ion.

PyChop

  • PyChop has been fixed and updated with a new Python commandline interface and a new GUI. Flux and resolution calculations for LET are now fully integrated into a single interface, and there is also support for calculating the resolution, flux and allowed E_i in multi-rep mode.

Crystal Field

  • A fitting function was added (CrystalFieldMultiSpectrum) that fits crystal field parameters to multiple spectra simultaneously.
  • A preliminary python interface to the Crystal Field functionality was added (Crystal Field Python Interface). It includes classes for defining a problem, performing a fit and basic plotting facilities.

MLZ & TOFTOF

  • A workflow gui for TOFTOF data reduction (#17075). The gui is accessible through the Interfaces / Direct / DGS Reduction menu. The first time the user is presented with a choice of facilities and instruments - choose MLZ / TOFTOF. The choice can be changed later from (any) reduction gui by Tools / Change instrument ....

Full list of changes on GitHub