Integration, scaling, space-group assignment and post-refinement
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Open Access
- 22 January 2010
- journal article
- research article
- Published by International Union of Crystallography (IUCr) in Acta crystallographica. Section D, Structural biology
- Vol. 66 (2), 133-144
- https://doi.org/10.1107/s0907444909047374
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 packageXDSare 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.Keywords
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