Acta Crystallographica Section D: Structural Biology
Acta Crystallographica Section D: Structural Biology
5 years ago

DIALS: implementation and evaluation of a new integration package

DIALS: implementation and evaluation of a new integration package
Luis Fuentes-Montero, Nicholas K. Sauter, Tara Michels-Clark, Aaron S. Brewster, James M. Parkhurst, Graeme Winter, Gwyndaf Evans, Iris D. Young, Melanie Vollmar, Markus Gerstel, David G. Waterman, Richard J. Gildea
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.

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1107/S2059798317017235

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