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Processing two‐dimensional X‐ray diffraction and small‐angle scattering data in DAWN 2
Author(s) -
Filik J.,
Ashton A. W.,
Chang P. C. Y.,
Chater P. A.,
Day S. J.,
Drakopoulos M.,
Gerring M. W.,
Hart M. L.,
Magdysyuk O. V.,
Michalik S.,
Smith A.,
Tang C. C.,
Terrill N. J.,
Wharmby M. T.,
Wilhelm H.
Publication year - 2017
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s1600576717004708
Subject(s) - data processing , scripting language , computer science , raw data , software , calibration , process (computing) , interface (matter) , image processing , visualization , scattering , computer graphics (images) , diffraction , computational science , optics , database , physics , image (mathematics) , artificial intelligence , bubble , quantum mechanics , maximum bubble pressure method , parallel computing , programming language , operating system
A software package for the calibration and processing of powder X‐ray diffraction and small‐angle X‐ray scattering data is presented. It provides a multitude of data processing and visualization tools as well as a command‐line scripting interface for on‐the‐fly processing and the incorporation of complex data treatment tasks. Customizable processing chains permit the execution of many data processing steps to convert a single image or a batch of raw two‐dimensional data into meaningful data and one‐dimensional diffractograms. The processed data files contain the full data provenance of each process applied to the data. The calibration routines can run automatically even for high energies and also for large detector tilt angles. Some of the functionalities are highlighted by specific use cases.