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

被引:1562
|
作者
Kabsch, Wolfgang [1 ]
机构
[1] Max Planck Inst Med Res, Biophys Abt, D-69120 Heidelberg, Germany
关键词
RAY-DIFFRACTION DATA; DATA QUALITY; PHOTOGRAPHS; INTENSITY;
D O I
10.1107/S0907444909047374
中图分类号
Q5 [生物化学];
学科分类号
071010 ; 081704 ;
摘要
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.
引用
收藏
页码:133 / 144
页数:12
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