A Minimal Principle in X-Ray Crystallography: Starting in a Small Way
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.
Proceedings of the Royal Society of London Series A
- Pub Date:
- July 1993