Indirect Inelastic Changes

New features




  • Previously the Quest script was used to drive the Bayes stretch interface. This functionality has been ported to the algorithm BayesStretch.



  • Mantid plotting is now handled in the interface rather than the respective algorithm

Data Reduction

ISIS Calibration

  • Add load log option to ISIS calibration interface

Data Analysis


  • Additional option to ungroup Elwin output

  • When using multiple input files, the naming convention for the outputworkspace contains the first-final run number. An example of this would be osi92764-92767_graphite002_red_elwin_elf for OSIRIS run between 92764-92767


Density Of States

  • SimulatedDensityOfStates now allows for the parsing of isotopes from the *.phonon or *.castep file in the form ‘element:isotope’

  • Allow for the loading of separate indexes for each element via the Output Format combo box in the interface.

Load nMoldyn

  • New algorithm LoadNMoldyn4Ascii1D has been added to allow 1D nmoldyn data to be loaded in Mantid



  • Add the functionality for ties between internal parameters within each mass profile. This allows for the creation of a BivariateGaussian profile from the MultivariateGaussian profile. Ties can be added within the definition of the mass profile with the following:

    flags[‘masses’] = [{‘value’:1.0079, ‘function’: ‘MultivariateGaussian’, ‘SigmaX’: 5, ‘SigmaY’: 5, ‘SigmaZ’: 5, ‘ties’: ‘SigmaX=SigmaY’}]

    The above will tie SigmaX to SigmaY for this MultivariateGaussian in the driver script


  • LoadVesuvio now uses the whole TOF range for loaded monitor data (0-20000)

  • Physical positions were included to the 311 reflection of BASIS instrument for improved instrument view.

  • Algorithm BASISReduction311 has been included in algorithm BASISReduction.

  • Range bars colours in the ISIS Calibration interface have been updated to match the convention in the fit wizard.

  • Vesuvio sigma_theta value updated for single and double differencing in both forward and back scattering. The new value is 0.016 for all.

  • The Elwin interface now uses the resolution of the instrument to create the range bars when possible

  • Shift of container data and conversion of units to wavelength have been removed from ApplyPaalmanPings interface and added to ApplyPaalmanPingsCorrection algorithm.

  • The plotting and saving of the results of all Inelastic Interfaces, apart from EnergyTransfer has been re-factored to be only accessible via the interface and once the algorithm is completed.

  • Improvements to FABADA minimizer have been added (ergodicity, ties and false convergences).


  • IqtFitMultiple no longer creates an unwanted temporary workspace when executed

  • The documentation for TransformToIqt now correctly states that the ParameterWorkspace is a TableWorkspace

  • Fix memory leak in LoadSassena

  • The ResNorm interface should no longer crash when using workspaces (rather than files) as input.

  • Fix bug showing incorrect doublet peaks in ISISIndirectDiffractionReduction

  • Fix end of line issue when loading ascii files in LoadILL interface

  • BayesQuasi now displays correct spectrum number in progress bar

Full list of changes on GitHub