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Decision making in xia2
xia2 is an expert system for the automated reduction of macromolecular crystallography (MX) data employing well trusted existing software. The system can process a full MX data set consisting of one or more sequences of images at one or more wavelengths from images to structure-factor amplitudes wit...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3689529/ https://www.ncbi.nlm.nih.gov/pubmed/23793152 http://dx.doi.org/10.1107/S0907444913015308 |
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author | Winter, Graeme Lobley, Carina M. C. Prince, Stephen M. |
author_facet | Winter, Graeme Lobley, Carina M. C. Prince, Stephen M. |
author_sort | Winter, Graeme |
collection | PubMed |
description | xia2 is an expert system for the automated reduction of macromolecular crystallography (MX) data employing well trusted existing software. The system can process a full MX data set consisting of one or more sequences of images at one or more wavelengths from images to structure-factor amplitudes with no user input. To achieve this many decisions are made, the rationale for which is described here. In addition, it is critical to support the testing of hypotheses and to allow feedback of results from later stages in the analysis to earlier points where decisions were made: the flexible framework employed by xia2 to support this feedback is summarized here. While the decision-making protocols described here were developed for xia2, they are equally applicable to interactive data reduction. |
format | Online Article Text |
id | pubmed-3689529 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-36895292013-06-28 Decision making in xia2 Winter, Graeme Lobley, Carina M. C. Prince, Stephen M. Acta Crystallogr D Biol Crystallogr Research Papers xia2 is an expert system for the automated reduction of macromolecular crystallography (MX) data employing well trusted existing software. The system can process a full MX data set consisting of one or more sequences of images at one or more wavelengths from images to structure-factor amplitudes with no user input. To achieve this many decisions are made, the rationale for which is described here. In addition, it is critical to support the testing of hypotheses and to allow feedback of results from later stages in the analysis to earlier points where decisions were made: the flexible framework employed by xia2 to support this feedback is summarized here. While the decision-making protocols described here were developed for xia2, they are equally applicable to interactive data reduction. International Union of Crystallography 2013-06-18 /pmc/articles/PMC3689529/ /pubmed/23793152 http://dx.doi.org/10.1107/S0907444913015308 Text en © Winter et al. 2013 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 | Research Papers Winter, Graeme Lobley, Carina M. C. Prince, Stephen M. Decision making in xia2 |
title | Decision making in xia2 |
title_full | Decision making in xia2 |
title_fullStr | Decision making in xia2 |
title_full_unstemmed | Decision making in xia2 |
title_short | Decision making in xia2 |
title_sort | decision making in xia2 |
topic | Research Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3689529/ https://www.ncbi.nlm.nih.gov/pubmed/23793152 http://dx.doi.org/10.1107/S0907444913015308 |
work_keys_str_mv | AT wintergraeme decisionmakinginxia2 AT lobleycarinamc decisionmakinginxia2 AT princestephenm decisionmakinginxia2 |