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Indirect Geometry Changes

New Features

Bugfixes

  • A bug has been fixed in the CASTEP .phonon file import for the Density Of States interface and SimulatedDensityOfStates algorithm. The bug was causing some q-points to be misidentified as duplicate Gamma-points and removed.

  • A bug has been fixed in Inelastic Data analysis where the first value would be ignored when a fit was performed.

  • Two bugs have been fixed in ISISCalibration in the Indirect Data Reduction interface. The first bug caused the resolution data to not be updated when the reflection was changed. The second bug sometimes caused a bad energy range selection for the resolution data.

Algorithms

New Features

Bugfixes

  • The Abins algorithm has been reworked to account for q-dependence correctly when forming 3+ phonon events by self-convolution. This changes the results obtained when using the Autoconvolution option, which now results in the expected high-frequency wing.

../../_images/abins-6.4-high-order.png
  • An error is fixed in Abins. This relates to the assignment of Forward and Backward detector settings for TOSCA, which were reversed from their conventional definition. The default behaviour has not changed: results will only be affected for calculations which explicitly selected the Forward (TOSCA) or Backward (TOSCA) options.

  • A bug has been fixes in SofQWMoments that prevented it from working with OSIRIS data.

Release 6.4.0