International Tables for Crystallography
| Integration, scaling, space-group assignment and post refinement 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.