Diamond Light Source Ltd, Harwell Science and Innovation Campus, Didcot OX11 0DE, England.
STFC Rutherford Appleton Laboratory, Didcot OX11 0FA, England.
Acta Crystallogr D Struct Biol. 2018 Feb 1;74(Pt 2):85-97. doi: 10.1107/S2059798317017235.
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.
DIALS 项目是由 Diamond Light Source、劳伦斯伯克利国家实验室和 CCP4 合作开展的,旨在开发一套用于分析晶体学 X 射线衍射数据的新软件套件,最初涵盖点探测、指标化、精修和整合。本文介绍了该软件的设计、核心算法和结构,以及来自生物和化学晶体学实验数据分析的结果。