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

SuiteSoftware suiteSoftwareComputer scienceSearch engine indexingDiamondSoftware packageComputational scienceSoftware engineeringInformation retrievalMaterials scienceProgramming languageGeography

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Publication Info

Year
2018
Type
article
Volume
74
Issue
2
Pages
85-97
Citations
1125
Access
Closed

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Graeme Winter, David G. Waterman, James M. Parkhurst et al. (2018). <i>DIALS</i>: implementation and evaluation of a new integration package. Acta Crystallographica Section D Structural Biology , 74 (2) , 85-97. https://doi.org/10.1107/s2059798317017235

Identifiers

DOI
10.1107/s2059798317017235