STRAT - A PROGRAM TO OPTIMIZE X-RAY DATA-COLLECTION ON AN AREA DETECTOR SYSTEM

Citation
Xj. Zhang et Bw. Matthews, STRAT - A PROGRAM TO OPTIMIZE X-RAY DATA-COLLECTION ON AN AREA DETECTOR SYSTEM, Journal of applied crystallography, 26, 1993, pp. 457-462
Citations number
7
Categorie Soggetti
Crystallography
ISSN journal
00218898
Volume
26
Year of publication
1993
Part
3
Pages
457 - 462
Database
ISI
SICI code
0021-8898(1993)26:<457:S-APTO>2.0.ZU;2-R
Abstract
STRAT is a Fortran program to optimize the efficiency of data collecti on on an X-ray area detector system, starting with the crystal in any arbitrary alignment. The high speed of the algorithm makes it possible to select the 'best' combination of crystal rotations from a large li st of possibilities. The program is applicable to any space group and requires only a few minutes of CPU time on a VAX station 4000.60 compu ter. The procedure can be used for the collection of data de novo and also in cases where part of a data set has already been measured. Alth ough specifically designed for a system with a three-circle goniostat, the procedure is adaptable to other geometries.