.. warning:: **Developers:** Sort changes under appropriate heading
putting new features at the top of the section, followed by
.. warning:: **Developers:** Sort changes under appropriate heading.
Put new features at the top of the section, followed by
improvements, followed by bug fixes.
Instrument Definition Updates
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@@ -16,9 +16,9 @@ Instrument Definition Updates
Concepts
--------
Corrupted Instrument Definitions
Instrument Definitions
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
.. warning:: Instruments in Mantid will no longer silently discard detectors defined with duplicate IDs. This has been a long-standing source of hard to find issue in Mantid. We have endeavoured to ensure that all :ref:`Instrument Definition Files <InstrumentDefinitionFile>` shipped with Mantid are now corrected. **If you have local IDFs, please update them to remove any duplicate IDs, or ask the Mantid Team for help**, the warning and error information in Mantid will give details about duplicates in IDFs that cannot be loaded.
.. warning:: **Users:** Instruments in Mantid will no longer silently discard detectors defined with duplicate IDs. This has been a long-standing source of hard to find issue in Mantid. We have endeavoured to ensure that all :ref:`Instrument Definition Files <InstrumentDefinitionFile>` shipped with Mantid are now corrected. **If you have local IDFs, please update them to remove any duplicate IDs, or ask the Mantid Team for help**, the warning and error information in Mantid will give details about duplicates in IDFs that cannot be loaded.
Beware that :ref:`LoadNexusProcessed <algm-LoadNexusProcessed>` will now **NOT load the Instrument from historic Processed Nexus files if the embedded IDF is corruped with duplicate detector IDs**. The workspace (data) part will still load, but the workspace will not have any Instrument attached. There are new warnings generated that describe the exact problem and the remedy when this happens. Note that the fix is generally easy. You should be able to run :ref:`LoadInstrument <algm-LoadInstrument>` on the Workspace, pointing it to an updated IDF, which is free of duplicates.
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@@ -26,27 +26,28 @@ Please contact the Mantid Team if you experience any further problems as a resul
Algorithms
----------
- :ref:`MostLikelyMean <algm-MostLikelyMean>` is a new algorithm that computes the mean of the given array, that has the least distance from the rest of the elements.
- :ref:`LoadAndMerge <algm-LoadAndMerge>` is a new algorithm that can load and merge multiple runs.
- :ref:`CropWorkspaceRagged <algm-CropWorkspaceRagged>`: New algorithm that will crop each spectrum with a different x-range.
- :ref:`LoadLamp <algm-LoadLamp>`: New algorithm to load processed HDF5 files produced by LAMP program at ILL.
- :ref:`SaveReflections <algm-SaveReflections>` is a new algorithm to save PeaksWorkspaces to Fullprof, Jana, GSAS, and SHELX text formats.
- :ref:`NormaliseToMonitor <algm-NormaliseToMonitor>` now supports workspaces with detector scans and workspaces with single-count point data.
- It is now possible to choose between weighted and unweighted fitting in :ref:`CalculatePolynomialBackground <algm-CalculatePolynomialBackground>`.
- :ref:`CalculatePolynomialBackground <algm-CalculatePolynomialBackground>`: It is now possible to choose between weighted and unweighted fitting.
- :ref:`CreateWorkspace <algm-CreateWorkspace>` will no longer create a default (and potentially wrong) mapping from spectra to detectors, unless a parent workspace is given. This change ensures that accidental bad mappings that could lead to corrupted data are not created silently anymore. This change does *not* affect the use of this algorithm if: (1) a parent workspace is given, or (2) no instrument is loaded into to workspace at a later point, or (3) an instrument is loaded at a later point but ``LoadInstrument`` is used with ``RewriteSpectraMapping=True``. See also the algorithm documentation for details.
- :ref:`ConjoinWorkspaces <algm-ConjoinWorkspaces>` now supports non-constant bins.
- :ref:`Fit <algm-Fit>` will now respect excluded ranges when ``CostFunction = 'Unweighted least squares'``.
- :ref:`NormaliseToMonitor <algm-NormaliseToMonitor>` now supports non-constant number of bins.
- :ref:`MostLikelyMean <algm-MostLikelyMean>` is a new algorithm that computes the mean of the given array, that has the least distance from the rest of the elements.
- :ref:`LoadAndMerge <algm-LoadAndMerge>` is a new algorithm that can load and merge multiple runs.
- :ref:`NormaliseToMonitor <algm-NormaliseToMonitor>` now supports a non-constant number of bins.
- :ref:`CompressEvents <algm-CompressEvents>` now supports compressing events with pulse time.
- :ref:`MaskBins <algm-MaskBins>` now uses a modernized and standardized way for providing a list of workspace indices. For compatibility reasons the previous ``SpectraList`` property is still supported.
- :ref:`Fit <algm-Fit>` has had a bug fixed that prevented a fix from being removed.
- :ref:`LoadMcStas <algm-LoadMcStas>` now loads event data in separate workspaces (single scattering, multiple scattering) as well as all scattering.
- :ref:`LoadMask <algm-LoadMask>` has had a bug fixed that could, under certain conditions, cause detectors from previously loaded masking to be added to the currently loaded masking.
- In :ref:`MaxEnt <algm-MaxEnt>` the ``EvolChi`` and ``EvolAngle`` workspaces only contain data up until the result has converged.
- New algorithm :ref:`CropWorkspaceRagged <algm-CropWorkspaceRagged>` will crop each spectrum with a different x-range
- :ref:`LoadLamp <algm-LoadLamp>` is a new algorithm to load processed HDF5 files produced by LAMP program at ILL.
- :ref:`MaxEnt <algm-MaxEnt>`: The ``EvolChi`` and ``EvolAngle`` workspaces now only contain data up until the result has converged.
- :ref:`SaveNexus <algm-SaveNexus>` will no longer crash when passed a ``PeaksWorkspace`` with integrated peaks that have missing radius information.
- :ref:`SaveReflections <algm-LoadLamp>` is a new algorithm to save PeaksWorkspaces to Fullprof, Jana, GSAS, and SHELX text formats.
- :ref:`ConjoinXRuns <algm-ConjoinXRuns>` will now accept workspaces with varying x-axes per spectrum.
- :ref:`LoadEXED <algm-LoadEXED>` has better handling of monitor workspace and sample logs
- :ref:`LoadEXED <algm-LoadEXED>` has better handling of monitor workspace and sample logs.
- :ref:`Fit <algm-Fit>` has had a bug fixed that prevented a fix from being removed.
- :ref:`LoadMask <algm-LoadMask>` has had a bug fixed that could, under certain conditions, cause detectors from previously loaded masking to be added to the currently loaded masking.
Known Issues
^^^^^^^^^^^^
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@@ -68,13 +69,13 @@ Core Functionality
- :class:`mantid.kernel.FloatTimeSeriesProperty` now returns :class:`numpy.datetime64` for the log times.
- The duration reported by a running algorithm now includes time spent for validation of properties and inputs. This fixes a discrepancy between observed and reported timings if validation is expensive, e.g., when checking if a file exists. More detailed timing information is now available when setting the log level to ``debug``.
- Fixed an issue where certain isotopes could not be accessed using the `Atom` classes, e.g Si28.
- Added new functionality to ``datasearch.searcharchive`` :ref:`property <Properties File>` to only search the default facility
- ``datasearch.searcharchive`` :ref:`property <Properties File>` has new functionality to only search the default facility.
- The status of a fit in the fit window is now at the top of the of the dialog instead of the bottom.
- Condition to check if a property is enabled when serializing.
- Workspace locking no longer prevents simple read operations required to display the workspace conext menu in Mantidplot.
- TableWorkspaces can new be converted to a python dictionary by calling the ``table.toDict()`` function.
- TableWorkspaces can now be converted to a Python dictionary by calling the ``table.toDict()`` function.
- Added new classes ``ConfigObserver`` for listening for changes to any configuration property and ``ConfigPropertyObserver`` for listening to changes to an individual config property of interest.
- Fixed the calculation of scattering length and scattering length squared for :py:obj:`Material <mantid.kernel.Material>`
- Fixed the calculation of scattering length and scattering length squared for :py:obj:`Material <mantid.kernel.Material>`.
- Fixed the behaviour of ``UpdateInstrumentDefinitions.OnStartup`` in the :ref:`properties file <Properties File>`. It was not being used correctly for using the updated ``Facilities.xml`` file.
- ``MultiFileProperty`` now accepts complex summation ranges for run numbers, such as ``111-113+115`` and ``111-115+123-132``.
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@@ -86,11 +87,10 @@ Live Data
Performance
-----------
- Improved performance for second and consecutive loads of instrument geometry, particularly for instruments with many detector pixels. This affects :ref:`LoadEmptyInstrument <algm-LoadEmptyInstrument>` and load algorithms that are using it.
- Up to 30% performance improvement for :ref:`CropToComponent <algm-CropToComponent>` based on ongoing work on Instrument-2.0.
- Improved rate of convergence for :ref:`MaxEnt <algm-MaxEnt>`. The ``ChiTarget`` property has been replaced by ``ChiTargetOverN``.
A `bug <https://github.com/mantidproject/mantid/pull/20953>`_ in the handling of fractional bin weights in a specialised form (`RebinnedOutput <http://doxygen.mantidproject.org/nightly/d4/d31/classMantid_1_1DataObjects_1_1RebinnedOutput.html>`_) of :ref:`Workspace2D <Workspace2D>` has been fixed. This mainly affects the algorithms :ref:`algm-SofQWNormalisedPolygon` and :ref:`algm-Rebin2D`, which underlies the `SliceViewer <http://www.mantidproject.org/MantidPlot:_SliceViewer>`_.
- :ref:`LoadEmptyInstrument <algm-LoadEmptyInstrument>` and load algorithms that are using it. Improved performance for second and consecutive loads of instrument geometry, particularly for instruments with many detector pixels.
- :ref:`CropToComponent <algm-CropToComponent>`: Up to 30% performance improvement, based on ongoing work on Instrument-2.0.
- :ref:`MaxEnt <algm-MaxEnt>`: Improved rate of convergence. The ``ChiTarget`` property has been replaced by ``ChiTargetOverN``.
- A `bug <https://github.com/mantidproject/mantid/pull/20953>`_ in the handling of fractional bin weights in a specialised form (`RebinnedOutput <http://doxygen.mantidproject.org/nightly/d4/d31/classMantid_1_1DataObjects_1_1RebinnedOutput.html>`_) of :ref:`Workspace2D <Workspace2D>` has been fixed. This mainly affects the algorithms :ref:`algm-SofQWNormalisedPolygon` and :ref:`algm-Rebin2D`, which underlies the `SliceViewer <http://www.mantidproject.org/MantidPlot:_SliceViewer>`_.
