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DIALS : implementation and evaluation of a new integration package
Author(s) -
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
Publication year - 2018
Publication title -
acta crystallographica section d
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 7.374
H-Index - 138
ISSN - 2059-7983
DOI - 10.1107/s2059798317017235
Subject(s) - suite , computer science , software suite , software , diamond , software package , software engineering , programming language , chemistry , archaeology , history , organic chemistry
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.