title: Automation of the collection and processing of X-ray diffraction data -- a generic approach.
abstract: With modern detectors and synchrotron sources, it is now routine to collect complete data sets in 10-30 min. To make the most efficient use of these resources, it is desirable to automate the collection and processing of the diffraction data, ideally to a level at which multiple data sets can be acquired without any intervention. A scheme is described to allow fully automated data collection and processing. The design is modular, so that it can easily be interfaced with different beamline-control programs and different data-processing programs. An expert system provides a communication path between the data-processing software and the beamline-control software and takes decisions about the data collection based on project information provided by the user and experimental data provided by the data-processing program.
authors.affiliation: MRC Laboratory of Molecular Biology, Hills Road, Cambridge CB2 2QH, England. andrew@mrc-lmb.cam.ac.uk
authors.forename: A G W
authors.initials: AG
authors.lastname: Leslie
authors.forename: H R
authors.initials: HR
authors.lastname: Powell
authors.forename: G
authors.initials: G
authors.lastname: Winter
authors.forename: O
authors.initials: O
authors.lastname: Svensson
authors.forename: D
authors.initials: D
authors.lastname: Spruce
authors.forename: S
authors.initials: S
authors.lastname: McSweeney
authors.forename: D
authors.initials: D
authors.lastname: Love
authors.forename: S
authors.initials: S
authors.lastname: Kinder
authors.forename: E
authors.initials: E
authors.lastname: Duke
authors.forename: C
authors.initials: C
authors.lastname: Nave
mesh_terms: D000465:Algorithms; D003625:Data Collection / Q000295:instrumentation / Q000379:methods*; D001330:Electronic Data Processing; D012680:Sensitivity and Specificity; D012984:Software; D014961:X-Ray Diffraction / Q000379:methods*