Automation of the collection and processing of X-ray diffraction data -- a generic approach.
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.
Leslie
A G W
AG
MRC Laboratory of Molecular Biology, Hills Road, Cambridge CB2 2QH, England. andrew@mrc-lmb.cam.ac.uk
Powell
H R
HR
Winter
G
G
Svensson
O
O
Spruce
D
D
McSweeney
S
S
Love
D
D
Kinder
S
S
Duke
E
E
Nave
C
C
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*