Reflectometry Changes#

New Features#

  • (#41868) The orsopy library dependency has been updated from version 1.2.1 to 1.2.3.

  • (#41637) A new plotting tab has been added to the ISIS Reflectometry Interface. It lists successful reduction outputs by group and run, identifies each item and output type, supports plotting selected workspaces individually, overlaid, or tiled, and shows output workspace groups with their member workspaces as selectable child entries. It also includes reflectivity, detector map, spin asymmetry, and alignment plot output presets.

  • (#41455) SaveISISReflectometryORSO v1 can now save ORSO files using metadata from workspace history, manual inputs, or history with manual overrides. The default metadata source remains workspace history, preserving the previous behaviour for existing scripts.

  • (#41455) The IncludeAdditionalColumns property of SaveISISReflectometryORSO v1 no longer controls writing the Q resolution column; use WriteResolution to include Q resolution and IncludeAdditionalColumns for wavelength and incident angle columns. The ISIS Reflectometry Interface keeps both options selected by default, preserving the previous default output.

  • (#41829) ReflectometryISISCalibration now has an InstrumentWorkflow option. The POLREF workflow supports spectrum-number-indexed absolute theta calibration files, using the supplied experiment theta and SpecularPixelSpectrumNo to correct the incident angle and to subsquently align the detector geometry. It is of note that the current inverted POLREF calibration-map angle convention is expected.

  • (#41958) FindReflectometryLines version 3 adds configurable background fitting, fit-window and fit-status handling, fallback behaviour, and optional profile and fit outputs. Unlike version 2, it returns the fractional workspace index only through the scalar LineCentre property and does not provide a single-valued OutputWorkspace. Callers requiring the version 2 API can select it explicitly with FindReflectometryLines(..., Version=2, OutputWorkspace="position"). ReflectometryILLPreprocess, LoadILLReflectometry, and alignment plots in the ISIS Reflectometry Interface now use version 3.

  • (#42028) ReflectometryISISSumBanks, ReflectometryReductionOneAuto, and ReflectometryISISLoadAndProcess can now apply ROIDetectorIDs bank summing to workspace groups.

  • (#42042) The ISIS Reflectometry Reduction Preview Tab now supports workspace groups. Individual group members can be inspected while retaining detector and time-of-flight regions, masks are retained separately for each member, and the reduced reflectivity curves can be overplotted for comparison.

  • (#42064) ReflectometryISISLoadAndProcess now utilises the POLREF calibration workflow as part of ReflectometryISISCalibration through ReflectometryISISPreprocess.

  • (#42131) ReflectometrySliceEventWorkspace v2 has a new V2 version, which produces one workspace group per slice when a workspace group is used as the InputWorkspace. These output groups have the same structure as the input group so they can be used in workflows that require a certain set of member workspaces in a group, such as polarization corrections.

  • (#42388) The ReflectometryISISPreprocess algorithm no longer applies detector calibration. The ISIS Reflectometry Interface instead applies calibration through ReflectometryISISLoadAndProcess after workspace summation. The detector image and TOF plot in the reduction preview now display the raw workspace instead of the calibrated workspace, but no visual impact is expected because calibration changes detector geometry rather than the plotted signal.

  • (#42423) POLREF_Parameters.xml now specifies CorrectDetectors=0. This ensures that detector correction is turned off when reducing POLREF data through the ISIS Reflectometry GUI, as for POLREF the correction of detector positions is currently handled by ReflectometryISISCalibration v1.

  • (#42423) The ISIS Reflectometry Interface now allows the user to specify a nominal specular pixel number when the POLREF instrument is selected. This is propagated to ReflectometryISISCalibration v1 via a new property in ReflectometryISISLoadAndProcess v1, NominalSpecularPixelSpectrumNo, where it is used for angle correction.

Bugfixes#

  • (#41457) ReflectometryReductionOneAuto v3 and Stitch1DMany v1 have been modified so that all workspaces output from ISIS polarized Reflectometry reductions use consistent spin-state suffixes.

  • (#41950) The Search table in the Runs tab of the ISIS Reflectometry interface now has a Model column to add the model description of the run.

  • (#41601) In the ISIS Reflectometry Interface, stitching now uses the updated stitch algorithms so invalid values do not overwrite valid data from other workspaces in stitched overlap regions.

  • (#41814) The MantidORSODataset has been updated to make model and validate optional arguments.

  • (#42066) A new configuration property isisjournal.url_prefix has been added to Mantid.properties file to specify the URL prefix of the ISIS journal allowing it to be configurable as necessary whenever needed.

  • (#41996) The DataHandling library no longer allows files to become very large and extremely slow to load. This particulary affected the loading of processed FIGARO data.

  • (#42064) ISIS Reflectometry reductions no longer reuse uncalibrated data from the ADS after a calibration file was selected. The requested calibration is now applied on the first reduction.

Release 7.0.0