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

Acta Crystallogr D Biol Crystallogr. 2010 Feb;66(Pt 2):133-44. doi: 10.1107/S0907444909047374. Epub 2010 Jan 22.


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*