========================== Indirect Inelastic Changes ========================== .. contents:: Table of Contents :local: New features ------------ Algorithms ########## - *IndirectNormSpectra* algorithm is designed to normalise all spectra in a MatrixWorkspace so that the maximum value for any spectra is 1. - :ref:`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 :ref:`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 ####### - The following Mantid algorithms used for Vesuvio have been added: - :ref:`VesuvioPreFit ` - :ref:`VesuvioTOFFit ` - :ref:`VesuvioCorrections ` - 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: - :ref:`VesuvioCalculateGammaBackground ` previously ``CalculateGammaBackground`` - :ref:`VesuvioCalculateMS ` previously ``CalculateMSVesuvio`` - :ref:`VesuvioDiffractionReduction ` previously ``EVSDiffractionReduction`` - :ref:`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 (:ref:`MultivariateGaussianComptonProfile `) - Added :ref:`VesuvioThickness ` algorithm to calclulate the sample density Improvements ------------ - :ref:`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. - :ref:`BASISReduction ` now accepts Vanadium runs for normalization, and one option to normalize by the maximum of the first spectrum. - :ref:`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. - :ref:`OSIRISDiffractionReduction ` has an additional DRange added for conversion from time regime. - Updated the :ref:`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 - :ref:`ISISIndirectEnergyTransfer ` only corrects for detailed balance when one is actually specified as input. - :ref:`SimulatedDensityOfStates ` should no longer manipulate the actual data values and only rebins the data to the desired bin width. - :ref:`VesuvioCorrections ` no longer always fits using only the first spectrum in the input workspace. - Fix bug with :ref: `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. - :ref:`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 - :ref:`IqtFitSequential ` and :ref:`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 `_