A Minimal Principle in X-Ray Crystallography: Starting in a Small Way
Abstract
The phase problem has been reformulated as the problem of finding the constrained global minimum of a well-defined function of hundreds of variables. The solution of this problem requires initial estimates of a large basis set of phases. In this paper it is shown that random structures containing small numbers of atoms serve as surprisingly good starting models.
- Publication:
-
Proceedings of the Royal Society of London Series A
- Pub Date:
- July 1993
- DOI:
- 10.1098/rspa.1993.0086
- Bibcode:
- 1993RSPSA.442....3H