A MINIMAL PRINCIPLE IN X-RAY CRYSTALLOGRAPHY - STARTING IN A SMALL WAY

Authors
HAUPTMAN H
Citation
H. Hauptman, A MINIMAL PRINCIPLE IN X-RAY CRYSTALLOGRAPHY - STARTING IN A SMALL WAY, Proceedings - Royal Society. Mathematical and physical sciences, 442(1914), 1993, pp. 3-12
Citations number
9
Categorie Soggetti
Multidisciplinary Sciences",Physics
Journal title
Proceedings - Royal Society. Mathematical and physical sciences → ACNP
ISSN journal
09628444
Volume
442
Issue
1914
Year of publication
1993
Pages
3 - 12
Database
ISI
SICI code
0962-8444(1993)442:1914<3:AMPIXC>2.0.ZU;2-#
Abstract
The phase problem has been reformulated as the problem of finding the constrained global minimum of a well-defined function of hundreds of v ariables. The solution of this problem requires initial estimates of a large basis set of phases. In this paper it is shown that random stru ctures containing small numbers of atoms serve as surprisingly good st arting models.