Scaling diffraction data in the DIALS software package: algorithms and new approaches for multi-crystal scaling.

ABSTRACT: In processing X-ray diffraction data, the intensities obtained from integration of the diffraction images must be corrected for experimental effects in order to place all intensities on a common scale both within and between data collections. Scaling corrects for effects such as changes in sample illumination, absorption and, to some extent, global radiation damage that cause the measured intensities of symmetry-equivalent observations to differ throughout a data set. This necessarily requires a prior evaluation of the point-group symmetry of the crystal. This paper describes and evaluates the scaling algorithms implemented within the DIALS data-processing package and demonstrates the effectiveness and key features of the implementation on example macromolecular crystallographic rotation d

SUBMITTER: Beilsten-Edmands J 

PROVIDER: S-EPMC7137103 | biostudies-literature | 2020 Apr

REPOSITORIES: biostudies-literature