DIALS: implementation and evaluation of a new integration package

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 a...

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Bibliographic Details
Published in:Acta crystallographica. Section D, Biological crystallography. Biological crystallography., 2018-02, Vol.74 (2), p.85-97
Main Authors: Winter, Graeme, Waterman, David G., Parkhurst, James M., Brewster, Aaron S., Gildea, Richard J., Gerstel, Markus, Fuentes-Montero, Luis, Vollmar, Melanie, Michels-Clark, Tara, Young, Iris D., Sauter, Nicholas K., Evans, Gwyndaf
Format: Article
Language:English
Subjects:
Algorithms
Bacterial Proteins - chemistry
BASIC BIOLOGICAL SCIENCES
Biochemistry & Molecular Biology
Biological effects
Biophysics
Computer programs
Crystallography
Crystallography, X-Ray - methods
Data processing
DIALS
Diamonds
Electronic Data Processing - methods
Integration
methods development
Radiographic Image Interpretation, Computer-Assisted - methods
Repressor Proteins - chemistry
Research Papers
Software
Software packages
Thermolysin - chemistry
X-ray diffraction
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Summary: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. A new X‐ray diffraction data‐analysis package is presented with a description of the algorithms and examples of its application to biological and chemical crystallography.
ISSN:2059-7983
0907-4449
2059-7983
1399-0047
DOI:10.1107/S2059798317017235