4.0

Indirect Inelastic Changes

New features

Algorithms

  • IndirectNormSpectra algorithm is designed to normalise all spectra in a MatrixWorkspace so that the maximum value for any spectra is 1.
  • IqtFitSequential algorithm has been added to sequential Iqt Fit data. This algorithm will be mainly used in the IqtFit interface.

Data Analysis

Jump Fit

  • The interface now has the option to plot a guess of what the fit will look like before running the algorithm.
  • The Plot button is no longer present in the interface as it is no longer used.

Diffraction

  • OSIRIS Diffraction DiffOnly interface and the OSIRISDiffractionReduction algorithm now support the use of multiple contianer runs. Additional validation also ensures you have the same number of sample/vanadium/container runs.

Vesuvio

Improvements

  • IqtFitMultiple (previously the function FuryFitMult in IndirectDataAnalysis.py)

    has been adapted to be a Mantid algorithm. This has not effected the way this script is used in the Indirect Data Analysis: I(Q,t) Fit tab, but it does now have a dialogue box interface from the algorithm list. This also allows for better testing, progress tracking and documentation of the algorithm.

  • BASISReduction now accepts Vanadium runs for normalization, and one option to normalize by the maximum of the first spectrum.

  • QECoverage planning tool has now been updated, There is now an Emin option included for direct tab,

    If Emin or Emax are left empty; appropriate values are set automatically, the negative values of Ei are treated as positive, appropriate informative pop-up messages displayed for invalid values and minor calculations updates.

  • The file OSIRIS_GSS_Parameters.prm which describes OSIRIS in the .prm, format has been added to the instrument directory. This file can

    be used together with .gss files from OSIRIS diffraction.

  • OSIRISDiffractionReduction has an additional DRange added for conversion from time regime.

  • Updated the SimulatedDensityOfStates workflow diagram to show an overview of the algorithm.

  • the Iqt interface now validates that EMin is strictly less than EMax and that they are both not equal to 0

Bugfixes

  • BayesQuasi no longer crashes if the you supply data with trailing or leading zeros
  • ISISIndirectEnergyTransfer only corrects for detailed balance when one is actually specified as input.
  • SimulatedDensityOfStates should no longer manipulate the actual data values and only rebins the data to the desired bin width.
  • VesuvioCorrections no longer always fits using only the first spectrum in the input workspace.
  • Fix bug with :ref: BayesQuasi <algm-BayesQuasi> docs not displaying online
  • BayesStretched interface now gives the option of using the current working directory if no default save path is provided.
  • The mini plot range bars in all interfaces now automatically update when a file is loaded.
  • In the I(Q, t) Fit interface, checking the plot guess check box now correctly adds and removes the curve from the plot
  • In the BayesQuasi interface ResNorm files are now automatically loaded from file locations when entered.
  • LoadVesuvio now correctly parses input in the form 10-20,30-40,50-60
  • The ApplyPaalmanPings interface no longer crashes when attempting to preview different spectra when shift option is checked but the algorithm has not been run
  • The ContainerSubtraction Interface should no longer crash when changing preview spectra in the miniplot
  • Using the Spectra option in S(Q,w) interface now works correctly
  • IqtFitSequential and IqtFitMultiple now correctly add sample logs to their output workspaces
  • It is now possible to properly update the Rebinning option in the ISISCalibration interface in Indirect Data Reduction
  • The Plot Output options in the I(Q, t) Fit interface now update properly when switching between Fit Types
  • The Data Reduction ISIS Calibration interface should now update the range bars correctly for OSIRIS

Full list of changes on GitHub