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dxtbx: the diffraction experiment toolbox

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 inter...

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Autores principales: 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
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4119952/
https://www.ncbi.nlm.nih.gov/pubmed/25242914
http://dx.doi.org/10.1107/S1600576714011996
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author 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
author_facet 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
author_sort Parkhurst, James M.
collection PubMed
description 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.
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spelling pubmed-41199522014-09-19 dxtbx: the diffraction experiment toolbox 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 J Appl Crystallogr Computer Programs 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. International Union of Crystallography 2014-07-19 /pmc/articles/PMC4119952/ /pubmed/25242914 http://dx.doi.org/10.1107/S1600576714011996 Text en © James M. Parkhurst et al. 2014 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Computer Programs
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
dxtbx: the diffraction experiment toolbox
title dxtbx: the diffraction experiment toolbox
title_full dxtbx: the diffraction experiment toolbox
title_fullStr dxtbx: the diffraction experiment toolbox
title_full_unstemmed dxtbx: the diffraction experiment toolbox
title_short dxtbx: the diffraction experiment toolbox
title_sort dxtbx: the diffraction experiment toolbox
topic Computer Programs
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4119952/
https://www.ncbi.nlm.nih.gov/pubmed/25242914
http://dx.doi.org/10.1107/S1600576714011996
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