Open AccessAutomation of the collection and processing of X‐ray diffraction data – a generic approach
Author(s) -
Powell H. R.,
Leslie A. G. W.,
Winter G.,
Svensson O.,
Spruce D.,
McSweeney S.,
Love D.,
Kinder S.,
Duke E.,
Nave C.
Publication year - 2002
Publication title -
acta crystallographica section d
Language(s) - English
Resource type - Journals
ISSN - 1399-0047
DOI - 10.1107/s0907444902016864
Subject(s) - automation , computer science , data collection , data processing , modular design , software , beamline , computer hardware , database , operating system , engineering , mechanical engineering , beam (structure) , statistics , civil engineering , mathematics
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.