Integration, scaling, space-group assignment and post-refinement

Important steps in the processing of rotation data are described that are common to most software packages. These programs differ in the details and in the methods implemented to carry out the tasks. Here, the working principles underlying the data-reduction package XDS are explained, including the...

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Detalles Bibliográficos
Autor principal: Kabsch, Wolfgang
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Research Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815666/
https://www.ncbi.nlm.nih.gov/pubmed/20124693
http://dx.doi.org/10.1107/S0907444909047374
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author Kabsch, Wolfgang
author_facet Kabsch, Wolfgang
author_sort Kabsch, Wolfgang
collection PubMed
description Important steps in the processing of rotation data are described that are common to most software packages. These programs differ in the details and in the methods implemented to carry out the tasks. Here, the working principles underlying the data-reduction package XDS are explained, including the new features of automatic determination of spot size and reflecting range, recognition and assignment of crystal sym­metry and a highly efficient algorithm for the determination of correction/scaling factors.
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spelling pubmed-28156662010-02-03 Integration, scaling, space-group assignment and post-refinement Kabsch, Wolfgang Acta Crystallogr D Biol Crystallogr Research Papers Important steps in the processing of rotation data are described that are common to most software packages. These programs differ in the details and in the methods implemented to carry out the tasks. Here, the working principles underlying the data-reduction package XDS are explained, including the new features of automatic determination of spot size and reflecting range, recognition and assignment of crystal sym­metry and a highly efficient algorithm for the determination of correction/scaling factors. International Union of Crystallography 2010-01-22 /pmc/articles/PMC2815666/ /pubmed/20124693 http://dx.doi.org/10.1107/S0907444909047374 Text en © Kabsch 2010 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
Kabsch, Wolfgang
Integration, scaling, space-group assignment and post-refinement
title Integration, scaling, space-group assignment and post-refinement
title_full Integration, scaling, space-group assignment and post-refinement
title_fullStr Integration, scaling, space-group assignment and post-refinement
title_full_unstemmed Integration, scaling, space-group assignment and post-refinement
title_short Integration, scaling, space-group assignment and post-refinement
title_sort integration, scaling, space-group assignment and post-refinement
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2815666/
https://www.ncbi.nlm.nih.gov/pubmed/20124693
http://dx.doi.org/10.1107/S0907444909047374
work_keys_str_mv AT kabschwolfgang integrationscalingspacegroupassignmentandpostrefinement

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