Framework Changes#

Algorithms#

New features#

  • A new algorithm SaveMDToAscii v1 has been added to save an MDHistoWorkspace to a plain ASCII file, with configurable exclusion of integrated dimensions, normalization, column separator and numeric precision.

  • HFIRPowderReduction v1 now attempts to autopopulate the sample absorption parameters if correct data is found in sample run files

  • SumSpectra v1 algorithm has been optimized for better performance.

  • The Fit v1 algorithm now allows setting step sizes to customize the perturbation applied to each parameter value while fitting. Setting the StepSizeMethod to Custom will allow the step sizes list to be passed using the CustomStepSizes parameter.

  • MDNormDirectSC v1 can now handle MDEvent workspaces created by ConvertToMD v1 with the UseLogTimes property.

  • HFIRPowderReduction v1 now has an IDFFilename property to optionally override the instrument geometry from the sample file, and loads MIDAS data with LoadEventAsWorkspace2D v1.

  • Algorithm ConvertToMD v1 with option UseLogTimes can use the time series logs at event times as coordinates for extra dimensions when log names are added in OtherDimensions property.

  • FileFinder and MultipleFileProperty now resolve multi-run hint strings (ranges and lists) in a single batched archive lookup for HFIR and SNS data, replacing the previous per-run network round trips to ONCat.

  • Algorithm ConvertToMD v1 now accepts an option, UseLogTimes, to use log times of neutron events in coordinate calculations instead of their average.

  • Stitch1D and Stitch1DMany now have a UseValidDataOnly option which, when true, ignores the contribution of invalid signal values to overlap bins when another workspace has valid data in the same bin. When false (default) previous behaviour is maintained, where presence of invalid data in an overlap bin from either workspace results in the same invalid value in the output workspace.

  • The VesuvioTransmission v1 algorithm has been added which evaluates the transmission spectrum on the VESUVIO spectrometer for measured sample and empty run numbers.

  • A new property OutputWorkspaceSuffixes has been added to the Stitch1DMany v1 algorithm, which allows users to specify custom suffixes for the child workspaces in the output group when stitching workspace groups.

Bugfixes#

  • In BeamProfileFactory the auto-generated beam profile dimensions are now correct when the sample bounding box is offset from the origin. The beam half-extent is now taken from the furthest sample face on either side, so the beam remains valid for samples that are translated or rotated into a negative half-space.

  • In EstimateScatteringVolumeCentreOfMass the shape object now accounts for the goniometer set on the workspace. Previously this was not the case which gave erroneous values in non-rotationally symmetric situations.

  • FileFinder now recognises compound file extensions (e.g. .nxs.h5) listed in Facilities.xml when expanding multi-run hints, so ranges such as CNCS100:105.nxs.h5 resolve correctly instead of being misinterpreted as a stem ending in .nxs plus an .h5 extension. As a consequence, a hint that explicitly specifies one extension (e.g. BSS_24234_event.nxs or SXD30904.raw.md5) no longer silently resolves to a file with a different extension; specify the run number without an extension to let the facility’s preferred extensions apply.

  • :ref: CreateDetectorTable <algm-CreateDetectorTable> has received some performance improvements that should speed up the algorithm significantly for large workspaces with many spectra. This algorithm is used in the new Instrument View when opening, so this should improve the performance of that interface as well.

  • ExtractSpectra no longer gives an error when the argument DetectorList is used on focused workspaces where a workspace index maps to several detector IDs.

Deprecated#

Removed#

  • Removed the deprecated BayesQuasi and BayesStretch algorithms, which were based on the quasielasticbayes library. Users should now use the new quickbayes replacements, BayesQuasi2 v1 and BayesStretch2 v1, respectively.

Fit Functions#

New features#

Bugfixes#

  • In an Instrument Parameter File, defined fitting parameters no longer erroneously overwrite if they have the same name but for different functions (e.g. Bk2BkExpConvPV:Gamma and IkedaCarpenterPV:Gamma).

Deprecated#

Removed#

Data Objects#

New features#

Bugfixes#

  • Fixed a boundary-condition bug in MDGridBox splitting where events exactly on a child box’s upper boundary could be dropped during serial or threaded splitting.

Live Data#

New features#

Bugfixes#

  • The SNSLiveEventDataListener state machine is refactored to simplify its structure, remove race conditions, and make all state transitions explicit. These changes primarily add to the ILiveListener interface, deprecating its runStatus method, but otherwise leave most ILiveListener implementations largely unchanged.

Python#

New features#

  • Instrument now has getXmlText exposed to python.

  • MeshObject now has getBoundingBox exposed to python.

Bugfixes#

Dependencies#

New features#

  • Removed dependence on the quasielasticbayes library to facilitate the upgrade to Qt6.

Bugfixes#

MantidWorkbench#

See Mantid Workbench Changes.

Release 7.0.0