<i>DIALS</i>: implementation and evaluation of a new integration package

20181,166 citationsJournal Articlehybrid Open Access

Authors

Graeme Winter · Diamond Light Source

David G. Waterman · Rutherford Appleton Laboratory

James M. Parkhurst · MRC Laboratory of Molecular Biology

Aaron S. Brewster · Lawrence Berkeley National Laboratory

Richard J. Gildea · Diamond Light Source

Markus Gerstel · Diamond Light Source

Luis Fuentes‐Montero

Abstract

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.

Topics & Keywords

Enzyme Structure and Function X-ray Diffraction in Crystallography Crystallization and Solubility Studies

UN Sustainable Development Goals

Industry, innovation and infrastructure

Publication Details

Published in: Acta Crystallographica Section D Structural Biology

Volume 74, Issue 2, pp. 85-97

DOI: 10.1107/s2059798317017235

Field-Weighted Citation Impact: 46.65