Integration, scaling, space-group assignment and post-refinement
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Updated: Jun 16, 2026

Microcrystallography of Protein Crystals and In Cellulo Diffraction
Published on: July 21, 2017
1Max-Planck-Institut für Medizinische Forschung, Abteilung Biophysik, Jahnstrasse 29, 69120 Heidelberg, Germany. wolfgang.kabsch@mpimf-heidelberg.mpg.de
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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