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
Descripción
Sumario: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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