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dxtbx : the diffraction experiment toolbox
Author(s) -
Parkhurst James M.,
Brewster Aaron S.,
FuentesMontero Luis,
Waterman David G.,
Hattne Johan,
Ashton Alun W.,
Echols Nathaniel,
Evans Gwyndaf,
Sauter Nicholas K.,
Winter Graeme
Publication year - 2014
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/s1600576714011996
Subject(s) - python (programming language) , toolbox , metadata , computer science , extensibility , software , detector , variety (cybernetics) , diffraction , graphical user interface , data type , user interface , interface (matter) , computer graphics (images) , reading (process) , programming language , world wide web , optics , artificial intelligence , physics , operating system , telecommunications , bubble , maximum bubble pressure method , law , political science
Data formats for recording X-ray diffraction data continue to evolve rapidly to accommodate new detector technologies developed in response to more intense light sources. Processing the data from single-crystal X-ray diffraction experiments therefore requires the ability to read, and correctly interpret, image data and metadata from a variety of instruments employing different experimental representations. Tools that have previously been developed to address this problem have been limited either by a lack of extensibility or by inconsistent treatment of image metadata. The dxtbx software package provides a consistent interface to both image data and experimental models, while supporting a completely generic user-extensible approach to reading the data files. The library is written in a mixture of C++ and Python and is distributed as part of the cctbx under an open-source licence at http://cctbx.sourceforge.net.