=================== Diffraction Changes =================== .. contents:: Table of Contents :local: Powder Diffraction ------------------ New Algorithms ############## - New algorithm :ref:`SaveSampleEnvironmentAndShape ` to save out a sample shape and environment as a single STL file, this can be used to save out pieces with a set rotation or scale, or to assemble multiple stl files into one for viewing purposes. Improvements ############ - The Gem scripts can now be used to automatically generate a .cal file, similar to pearl. They can also adjust a parameter file passed in using the argument "calibration_to_adjust". - Added two new options to the HRPD scripts `do_solid_angle_corrections` and `subtract_empty_instrument` allowing setting whether or not these actions should take place. - The Polaris scripts can now detect the chopper mode if none is provided using the frequency block logs. - The Pearl scripts now automatically disable attenuation on long-mode. - The Pearl scripts now set now use a spline coefficient of 5 on long-mode due to the increased amount of noise. - The Pearl scripts now crop to a dspacing of 8 on long-mode to avoid negative values caused by noise after this point. - New example mapping files for GEM and POLARIS have been added to the ISIS powder scripts. - :ref:`SNSPowderReduction ` has a new property, ``OffsetData``, which adds a constant to the data at the very end of the reduction. - :ref:`BASISPowderDiffraction ` has a new property, ``RemoveTemp``, which allows the user to inspect temporary workspaces is left unchecked. - :ref:`LoadSampleEnvironment ` now correctly takes into account scale for translation. Rotation is now applied before translation to reduce confusion. - New IDF have been added for VULCAN. Bug Fixes ######### - HRPD Absorption corrections now correctly takes into account the thickness of the slab. - Pearl no longer produces an output of NaN when long-mode is changed after focusing. - Fixed a bug where enabling absorption corrections on GEM raised an error. - :ref:`LoadILLDiffraction ` if fixed to load also single point scans. - :ref:`AlignAndFocusPowderFromFiles ` no longer errors out if the first chunk has no events Engineering Diffraction ----------------------- Improvements ############ - Changed focus to save out .his files in the format as opposed to _ to allow for better compatibility with opengenie. - Added sample environment file for POWGEN that includes many of the standard sample containers Bug Fixes ######### - Prevented crash caused by canceling algorithms called by GUI. - Prevented GUI breaking bug caused by entering files from the wrong instrument to calibration. - Prevented issue with reading CSV files on python 3 - GUI now correctly loads the file browsed to instead of looking for a run number in every folder along the path to that file. - :ref:`MDNorm ` will not crash if the detector is masked in the flux workspace, but not in the input workspace. Single Crystal Diffraction -------------------------- New Algorithms ############## - New algorithm :ref:`PredictSatellitePeaks ` to predict satellite peaks using modulation vectors and maximum order of satellite from PeaksWorkspace or range of wavelength and DSpacing. - New algorithm ``IndexPeaksWithSatellites`` to index peaks with satellites and set modulation vectors and maximum order of satellite from input values. Improvements ############ - :ref:`LoadIsawPeaks ` will load satellite peaks using the order of each satellite by the hkl of the nuclear peak and the mnp of the satellite peak. - :ref:`SaveIsawPeaks ` will save satellite peaks using the order of each satellite by the hkl of the nuclear peak and the mnp of the satellite peak. - :ref:`FindUBUsingIndexedPeaks ` finds UB matrix using the indexed peaks, modulation vectors and maximum order of satellite from PeaksWorkspace. - :ref:`IndexPeaks ` now will also index satellite peaks using modulation vectors and maximum order of satellite from PeaksWorkspace. - :ref:`IntegrateEllipsoids ` will integrate peaks using the indexed peaks, modulation vectors and maximum order of satellite from PeaksWorkspace - :ref:`DeltaPDF3D ` has a new method for peak removal, KAREN (K-space Algorithmic REconstructioN) - New TOPAZ instrument geometry for 2019B run cycle - Maximum order of modulated vectors is now available to python: ws.sample().getOrientedLattice().getMaxOrder() Bug Fixes ######### - :ref:`MDNorm ` now checks for consistent binning between the given parameters and the input accumulation workspaces if the latter are given. - :ref:`StatisticsOfPeaksWorkspace ` now only calculates statistics for integer HKL (not satellite peaks) instead of combining. Statistics for satellite peaks will be added later. :ref:`Release 4.1.0 `