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.