DIALS: implementation and evaluation of a new integration package

被引：810

作者：

Winter, Graeme ^{[1
]}

Waterman, David G. ^{[3
,4
]}

Parkhurst, James M. ^{[1
,5
]}

Brewster, Aaron S. ^{[2
]}

Gildea, Richard J. ^{[1
]}

Gerstel, Markus ^{[1
]}

Fuentes-Montero, Luis ^{[1
]}

Vollmar, Melanie ^{[1
]}

Michels-Clark, Tara ^{[2
]}

Young, Iris D. ^{[2
]}

Sauter, Nicholas K. ^{[2
]}

Evans, Gwyndaf ^{[1
]}

机构：

[1] Diamond Light Source Ltd, Harwell Sci & Innovat Campus, Didcot OX11 0DE, Oxon, England

[2] Lawrence Berkeley Natl Lab, 1 Cyclotron Rd, Berkeley, CA 94720 USA

[3] STFC Rutherford Appleton Lab, Didcot OX11 0FA, Oxon, England

[4] Rutherford Appleton Lab, CCP4, Res Complex Harwell, Didcot OX11 0FA, Oxon, England

[5] Lab Mol Biol, Francis Crick Ave, Cambridge CB2 0QH, England

来源：

ACTA CRYSTALLOGRAPHICA SECTION D-STRUCTURAL BIOLOGY | 2018年 / 74卷

基金：

美国国家卫生研究院; 英国生物技术与生命科学研究理事会; 英国惠康基金;

关键词：

X-ray diffraction; data processing; methods development; DIALS; RAY-DIFFRACTION DATA; X-RAY; SERIAL CRYSTALLOGRAPHY; DETECTOR; REFINEMENT; ALGORITHMS; SOFTWARE; PROTEINS; PILATUS; SYSTEM;

D O I：

10.1107/S2059798317017235

中图分类号：

Q5 [生物化学];

学科分类号：

071010 ; 081704 ;

摘要：

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.

引用

页码：85 / 97

页数：13

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