Cargando…
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...
Autores principales: | , , , , , , , , , |
---|---|
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 |
_version_ | 1782329022688002048 |
---|---|
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. |
format | Online Article Text |
id | pubmed-4119952 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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 |
work_keys_str_mv | AT parkhurstjamesm dxtbxthediffractionexperimenttoolbox AT brewsteraarons dxtbxthediffractionexperimenttoolbox AT fuentesmonteroluis dxtbxthediffractionexperimenttoolbox AT watermandavidg dxtbxthediffractionexperimenttoolbox AT hattnejohan dxtbxthediffractionexperimenttoolbox AT ashtonalunw dxtbxthediffractionexperimenttoolbox AT echolsnathaniel dxtbxthediffractionexperimenttoolbox AT evansgwyndaf dxtbxthediffractionexperimenttoolbox AT sauternicholask dxtbxthediffractionexperimenttoolbox AT wintergraeme dxtbxthediffractionexperimenttoolbox |