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

Acta crystallographica. Section D, Biological crystallography ·Vol. 66 ·No. Pt 2 ·2010-02-00 ·Pages 133-44

Kabsch W

Abstract

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.

MeSH Terms

Algorithms Crystallography, X-Ray/methods Software

Authors & Affiliations

1 authors, click to expand affiliations / ORCID

Kabsch Wolfgang

Max-Planck-Institut für Medizinische Forschung, Abteilung Biophysik, Jahnstrasse 29, 69120 Heidelberg, Germany. wolfgang.kabsch@mpimf-heidelberg.mpg.de

References (9)

9 references, click to expand

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Article Info

Journal

Acta crystallographica. Section D, Biological crystallography

Abbr.

Acta Crystallogr D Biol Crystallogr

ISSN

1399-0047

DOI

10.1107/S0907444909047374

wolfgang.kabsch@mpimf-heidelberg.mpg.de

Published

2010-02-00

Epub

2010-00-22

Pages

133-44

Language

English

Region

United States

NLM ID

9305878

PMCID

PMC2815666

Subset

External Links

PubMed source DOI: 10.1107/S0907444909047374 PMC Full Text View journal details

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

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