DIALS: implementation and evaluation of a new integration package

Author:

Winter Graeme,Waterman David G.ORCID,Parkhurst James M.,Brewster Aaron S.,Gildea Richard J.,Gerstel MarkusORCID,Fuentes-Montero Luis,Vollmar Melanie,Michels-Clark Tara,Young Iris D.,Sauter Nicholas K.,Evans GwyndafORCID

Abstract

TheDIALSproject 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.

Funder

Seventh Framework Programme, FP7 Research Infrastructures

Wellcome Trust

National Institutes of Health, National Institute of General Medical Sciences

Science and Technology Facilities Council

Diamond Light Source

Publisher

International Union of Crystallography (IUCr)

Subject

Structural Biology

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