Integration, scaling, space‐group assignment and post refinement

The key steps in the processing of diffraction data from single crystals are described. The topics covered include: the modelling of the positions of all the reflections recorded in the images; the integration of diffraction intensities; data correction, scaling and post refinement; and space-group assignment. The principles of the methods are described as they are employed by the program XDS (Section 25.2.9 ).