Dxtbx: the diffraction experiment toolbox. (1st August 2014)

• Record Type: Journal Article
• Authors: Parkhurst, James M.; Brewster, Aaron S.; Fuentes‐Montero, Luis; Waterman, David G.; Hattne, Johan; Ashton, Alun W.; Echols, Nathaniel; Evans, Gwyndaf; Sauter, Nicholas K.; Winter, Graeme
• Is Part Of: Journal of applied crystallography. Volume 47:Part 4(2014:Aug.)
• Page Start: 1459
• Page End: 1465
• Publication Date: 2014-08-01
• Subjects: Crystallography -- Periodicals; 548.05
• DOI: 10.1107/S1600576714011996
• Languages: English
• ISSNs: 0021-8898

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p>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 <italic>dxtbx</italic> 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 <italic>cctbx</italic> under an open‐source licence at <ext-link ext-link-type="uri" xlink:href="http://cctbx.sourceforge.net" xlink:type="simple" xmlns:xlink="http://www.w3.org/1999/xlink">http://cctbx.sourceforge.net</ext-link>.</p> </abstract>