A SYSTEM FOR INTEGRATED COLLECTION AND ANALYSIS OF CRYSTALLOGRAPHIC DIFFRACTION DATA

A set of linked software modules has been installed at the Al station of CHESS, the Cornell High Energy Synchrotron Source, which, with the underlying hardware, allows crystallographic users of the facility to evaluate crystals, collect diffraction images and process the images r apidly and with assurance of the quality of the resultant data, thereb y making most efficient use of their beam time. The system includes a CCD detector and its controlling software, with a graphical user inter face, a convenient oscillation camera featuring automated alignment wi th the X-ray beam, a program for optimizing crystal rotation range, an d the HKL data-reduction package. Principles embodied in this system a re applicable to other facilities where crystallographic data are rout inely collected.