DIALS: implementation and evaluation of a new integration package.

Graeme WinterDavid Geoffrey WatermanJames M ParkhurstAaron S BrewsterRichard J GildeaMarkus GerstelLuis Fuentes-MonteroMelanie VollmarTara Michels-ClarkIris D YoungNicholas K SauterGwyndaf Evans

Published in: Acta crystallographica. Section D, Structural biology (2018)

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.

Keyphrases

quality improvement
data analysis
electronic health record
machine learning
big data
primary care
healthcare
high resolution