Indirect Inelastic Changes¶
- The following changes were made to the ConvolutionFitSequential v1 algorithm:
Added ‘ExtractMembers’ property to ConvolutionFitSequential v1 - this allows for extracting the members of the convolution fitting into their own workspaces.
Property to pass the workspace index added to ConvolutionFitSequential v1.
The ConvolutionFitSequential v1 now performs correct treatment of the resolution function: convolve sample and resolution spectra with same momentum transfer.
- The following changes were made to the ISISIndirectDiffractionReduction v1 algorithm:
Manual D-Ranges can now be supplied as a list/range, to the ISISIndirectDiffractionReduction v1 algorithm, each corresponding to their respective runs, in the supplied order.
The Sum Files option in the ISISIndirectDiffractionReduction v1 algorithm now allows for correctly corresponding each sum of sample runs defined with a range (e.g. A-B, where A and B are run numbers) to the corresponding vanadium run, dependent on D-Range.
The ‘Sample Runs’ field in the ISISIndirectDiffractionReduction v1 algorithm now recognizes 3 operators: ‘-’, ‘+’, ‘:’. The ‘-’ operator is used to supply a given range of runs and sum them when SumFiles is checked. The ‘+’ operator is used to supply a given list of runs and sum when SumFiles is checked. The ‘:’ operator is used to supply a range of runs, which will never be summed.
The Grouping Policy in ISISIndirectDiffractionReduction v1, now allows for grouping with a Workspace.
FlatPlatePaalmanPingsCorrection now supports Direct and Indirect modes.
BASISReduction can save to NXSPE format.
ElasticWindowMultiple v1 now correctly normalizes by the lowest temperature - rather than the first one.
An issue has been fixed in IndirectILLEnergyTransfer v1 when handling the data with mirror sense, that have shifted 0 monitor counts in the left and right wings. This was causing the left and right workspaces to have different x-axis binning and to fail to sum during the unmirroring step.
An issue has been fixed in IndirectILLReductionFWS v1 when the scaling of the data after vanadium calibration was not applied.
CalculateSampleTransmission v1 now divides by the tabulated wavelength when calculating the absorption cross section.
The Indirect Absorption Corrections interface has been replaced with Calculate Monte Carlo Absorption Corrections; using the new CalculateMonteCarloAbsorption v1 algorithm.
In the Indirect ConvFit interface, EISF is now extracted as a parameter when performing a single fit using ‘Fit Single Spectrum’.
The Indirect S(Q, W) interface now automatically replaces NaN values with 0.
The Save Result option in the Indirect Elwin interface now writes to file the temperature-dependent elastic intensity normalized to the lowest temperature.
Model selection is available in the Indirect MSDFit interface, providing the option to choose one of the three models available in the MSDFit v1 algorithm.
Removed fit option from plot options drop-down menu, in the Indirect Bayes interface.
Use Manual Grouping in the Indirect Diffraction interface now functions in the same way as the equivalent option in the Indirect ISISEnergyTransfer interface; providing and option to choose the number of groups and subsequently grouping by detector.
Plot Current Preview is now an available option across all Indirect interfaces, where a mini-plot is shown within the interface.
Added flag for disabling multiple scattering corrections: flags[‘ms_flags’][‘ms_enabled’].
Added method for specifying a mass by chemical symbol e.g. H for hydrogen, O for oxygen.
Multiple scattering corrections for back-scattering spectra now approximate the hydrogen peak, this is done in the VesuvioCorrections v1 algorithm. This feature is incomplete for 3.11.
VesuvioCorrections v1 has the additional property: ‘MassIndexToSymbolMap’. MassIndexToSymbolMap is used to map from an index of mass in the ‘Masses’ property to a chemical symbol.
VesuvioCorrections v1 takes the additional property: ‘HydrogenConstraints’. HydrogenConstraints are used to constrain the hydrogen peak for multiple scattering corrections in back-scattering spectra.
Gamma Corrections are no longer done for back-scattering spectra in the VesuvioCorrections v1 algorithm.
A number of Python indirect algorithms that use
mantid.kernel.MaterialBuilderallowed setting the mass density for a material. The density was set incorrectly where the chemical formula had more than one atom, this is now fixed.