Supported Applications

Description

(Diffraction Integration for Advanced Light Sources) a software project for the analysis of crystallographic diffraction images for many new methods from shutterless, fine-sliced rotation scans to randomly-oriented snapshots of serial crystallography. It uses multiple CPU and GPU machines to increase speed and accuracy based on a comprehensive physical model.

Primary Citation*

G. Winter, D. G. Waterman, J. M. Parkhurst, A. S. Brewster, R. J. Gildea, M. Gerstel, L. Fuentes-Montero, M. Vollmar, T. Michels-Clark, I. D. Young, N. K. Sauter, and G. Evans. 2018. DIALS: implementation and evaluation of a new integration package. Acta Crystallographica Section D, Structural Biology. 74(2): 85-97.

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Tales

Turning the DIALS

Nicholas Sauter began working on DIALS (Diffraction Integration for Advanced Light Sources) in 2011 because he and his colleagues recognized that the experimental methods of X-ray crystallography were changing, and changing fast. To be usable, the software that automates crystallography experiments must be able to keep up.

So he and his team at Lawrence Berkeley National Laboratory and collaborating teams at CCP4 and at the Diamond Light Source synchrotron in the United Kingdom developed a modular system that allows new algorithms to be dropped in as new experimental methods and technologies emerge. Examples include handling data from faster detectors, like the Pilatus, handling new technologies, such as the X-ray free electron laser (XFEL), and handling new types of experiments, such as putting multiple crystals in the beamline at ...

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Webinars

Topic: Processing serial crystallographic data using cctbx.xfel and DIALS
Presenter: Aaron Brewster, Project Scientist, Lawrence Berkeley National Laboratory

Host: Jason Key
Recorded on January 10, 2016

Topic: DIALS
Presenter: Graeme Winter, Scientist, Diamond Light Source

Host: Jason Key
Recorded on November 17, 2015

Topic: DIALS: Advanced Data Reduction
Presenter: Nicholas Sauter, Lawrence Berkeley National Labs

Presented as part of:
SBGrid/NE-CAT 2014: Data Processing in Crystallography
June 5-6, 2014