========================== Indirect Inelastic Changes ========================== .. contents:: Table of Contents :local: New features ------------ Algorithms ########## * Remove CylinderPaalmanPingsCorrection v1. This algorithm has been replaced by :ref:`CylinderPaalmanPingsCorrection ` Bayes ##### Stretch ~~~~~~~ - Previously the Quest script was used to drive the Bayes stretch interface. This functionality has been ported to the algorithm :ref:`BayesStretch `. Corrections ########### Absorption ~~~~~~~~~~ - 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 ############# Elwin ~~~~~ - 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 Simulations ########### Density Of States ~~~~~~~~~~~~~~~~~ - :ref:`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 :ref:`LoadNMoldyn4Ascii1D ` has been added to allow 1D nmoldyn data to be loaded in Mantid Correlations ~~~~~~~~~~~~ - New algorithms :ref:`VelocityCrossCorrelations ` and :ref:`VelocityAutoCorrelations ` - New algorithms :ref:`AngularAutoCorrelationsSingleAxis ` and :ref:`AngularAutoCorrelationsTwoAxes ` VESUVIO ####### - 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 Improvements ------------ - :ref:`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 :ref:`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). Bugfixes -------- * :ref:`IqtFitMultiple ` no longer creates an unwanted temporary workspace when executed * The documentation for :ref:`TransformToIqt ` now correctly states that the ParameterWorkspace is a TableWorkspace * Fix memory leak in :ref:`LoadSassena ` * The *ResNorm* interface should no longer crash when using workspaces (rather than files) as input. * Fix bug showing incorrect doublet peaks in :ref:`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 `_