Chapter 11.3 Integration, scaling, space-group assignment and post refinement
Crystallography of biological macromolecules
Second Online Edition (2012)
Part 11. Data processing
Published Online: 14 APR 2012
© International Union of Crystallography 2006
International Tables for Crystallography
How to Cite
Kabsch, W. 2012. Integration, scaling, space-group assignment and post refinement. International Tables for Crystallography. F:11:11.3:272–281.
- Published Online: 14 APR 2012
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.
- space-group assignment;