Indirect Inelastic Changes¶

Table of Contents

New features ¶

Remove CylinderPaalmanPingsCorrection v1. This algorithm has been replaced by CylinderPaalmanPingsCorrection

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

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

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.

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 defintion 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