\(\renewcommand\AA{\unicode{x212B}}\)
Indirect Inelastic Changes
- 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.
- 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.
- 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.
- The following Mantid algorithms used for Vesuvio have been added:
-
- The script used to process data for Vesuvio has also been added. This used to be called
VesuvioWorkflow.py
, but is now named VesuvioCommands.py
.
- The following Vesuvio specific algorithms have been updated to have their name prefixed by Vesuvio:
-
- LoadVesuvio now has the option to load the monitor data in addition to its normal operation. This is loaded as an additional separate workspace.
- Added a fit function to fit a multivariate Gaussian profile (MultivariateGaussianComptonProfile)
- Added VesuvioThickness algorithm to calclulate the sample density
- 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
- 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