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DIALS : implementation and evaluation of a new integration package

DOI: 10.1107/S2059798317017235 DOI Help

Authors: Graeme Winter (Diamond Light Source) , David G. Waterman (STFC Rutherford Appleton Laboratory; CCP4) , James M. Parkhurst (Diamond Light Source; 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 (Diamond Light Source) , Melanie Vollmar (Diamond Light Source) , Tara Michels-Clark (Lawrence Berkeley National Laboratory) , Iris D. Young (Lawrence Berkeley National Laboratory) , Nicholas K. Sauter (Lawrence Berkeley National Laboratory) , Gwyndaf Evans (Diamond Light Source)
Co-authored by industrial partner: No

Type: Journal Paper
Journal: Acta Crystallographica Section D Structural Biology , VOL 74 , PAGES 85 - 97

State: Published (Approved)
Published: February 2018

Open Access Open Access

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.

Journal Keywords: X-ray diffraction; data processing; methods development; DIALS

Subject Areas: Information and Communication Technology

Instruments: I19-Small Molecule Single Crystal Diffraction

Added On: 21/02/2018 13:57


Discipline Tags:

Computing & software technologies Information & Communication Technologies Data processing

Technical Tags:

Diffraction Single Crystal X-ray Diffraction (SXRD)