=================== Diffraction Changes =================== .. contents:: Table of Contents :local: Powder Diffraction ------------------ - New loader :ref:`LoadILLDiffraction ` has been added to load the data-scan nexus files from ILL diffractometers. - ISIS Powder diffraction scripts have been released. These include support for GEM, PEARL and POLARIS instruments. For more details see the ISIS Powder documentation under API, Python category. - New instrument definition files are added for D1B, D4, and D20 powder/liquid diffractometers at ILL. The source and monitor positions, as well as detector to sample distance have been corrected for existing D2B. - New IDF for the POWGEN upgrade - :ref:`AlignAndFocusPowder ` Now supports supplying an a second ``.cal`` file for the ``GroupingFilename``. - New algorithm :ref:`AlignAndFocusPowderFromFiles ` is a wrapper around :ref:`AlignAndFocusPowder ` which supports caching results. :ref:`SNSPowderReduction ` and :ref:`PDToPDFgetN ` have been reworked to take advantage of this. - Bugfix in :ref:`SNAPReduce ` with loading previous normalizations - :ref:`SNSPowderReduction ` now supports splitters in format of ``MatrixWorkspace`` and general ``TableWorkspace``. - A new NOMAD instrument definition file with corrected values. - Add default sample logs names of wavelength and frequency to PDDetermineCharacterizations for Vulcan. Single Crystal Diffraction -------------------------- - :ref:`algm-PredictPeaks` has a new option ``PredictPeaksOutsideDetectors`` which will predict peaks which fall outside of any defined detectors. This feature requires an extended detector space definition and will do nothing if this is not present in the IDF. - :ref:`algm-PredictPeaks` and :ref:`algm-FindPeaksMD` have a new option ``EdgePixels`` which will not predict or find peaks which fall in the input number of pixels from the edge of detectors. - :ref:`StartLiveData ` will load "live" data streaming from MaNDi data server. - :ref:`PDCalibration ` is better at giving out physically meaningful results. It will no longer create calibrations that will convert time-of-flight to negative or imaginary d-spacing. - :ref:`SaveIsawPeaks ` now saves the calibration data for all detector banks in instrument so the header may be longer - :ref:`LoadIsawPeaks ` now uses the calibration lines to calibrate the detectors banks for CORELLI - :ref:`SCD_Event_Data_Reduction_Interface` and SCD_Reduction python scripts work with both nxs and h5 extensions for data file. - New algorithm :ref:`algm-IntegrateEllipsoidsTwoStep` which can be used to integrate weak peaks by using parameters derived from strong peaks. - :ref:`FindSxPeaks ` Resolved an issue where the algorithm failed on instruments with multiple detectors per spectrum. - A new HB3A instrument definition file, for its 512 x 512 detector, is created. Its valid period is from February 2017 to late April 2017. - An IDF for HB3A with 256 by 256 detectors was created. It was dated from late April 2017 because its original detector has been switched back. - A Bug fix was added to the WISH instrument parameter file to prevent predicted peaks falling between tube gaps. - New algorithm :ref:`DeltaPDF3D ` for calculating the 3D-deltaPDF from a HKL MDHistoWorkspace - Resolved an issue with instrument viewer where the instrument could not be viewed in 3D mode with the new IDF for wish. - HB3A reduction interface (application) now supports to integrate single crystal peaks by fitting peak intensity with 2D Gaussian with more detailed integraton information for user. Full list of `diffraction `_ and `imaging `_ changes on GitHub.