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Acta Crystallogr D Struct Biol. 2018 Feb 1;74(Pt 2):85-97. doi: 10.1107/S2059798317017235. Epub 2018 Feb 1.

DIALS: implementation and evaluation of a new integration package.

Author information

1
Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, England.
2
STFC Rutherford Appleton Laboratory, Didcot OX11 0FA, England.
3
Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, CA 94720, USA.

Abstract

The DIALS project is a collaboration between Diamond Light Source, Lawrence Berkeley National Laboratory and CCP4 to develop a new software suite for the analysis of crystallographic X-ray diffraction data, initially encompassing spot finding, indexing, refinement and integration. The design, core algorithms and structure of the software are introduced, alongside results from the analysis of data from biological and chemical crystallography experiments.

KEYWORDS:

DIALS; X-ray diffraction; data processing; methods development

PMID:
29533234
PMCID:
PMC5947772
DOI:
10.1107/S2059798317017235
[Indexed for MEDLINE]
Free PMC Article

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