International Tables for Crystallography

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You have followed a link to material from the 2012 edition of International Tables for Crystallography Volume F. If you would like to update your licence to include this material please contact support@iucr.org. If you have a licence for the 2006 edition of this volume please follow the link below to access material from it:

International Tables for Crystallography (2006). Vol. F, ch. 11.3, References
Integration, scaling, space-group assignment and post refinement
W. Kabsch. International Tables for Crystallography (2012). Vol. F, ch. 11.3, pp. 272-281  [ doi:10.1107/97809553602060000832 ]

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.


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About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.