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CiteWeb id: 19900000012

CiteWeb score: 15901

DOI: 10.1107/S0108767390000277

A number of extensions to the multisolution approach to the crystallographic phase problem are discussed in which the negative quartet relations play an important role. A phase annealing method, related to the simulated annealing approach in other optimization problems, is proposed and it is shown that it can result in an improvement of up to an order of magnitude in the chances of solving large structures at atomic resolution. The ideas presented here are incorporated in the program system SHELX-90; the philosophical and mathematical background to the direct-methods part (SHELXS) of this system is described.

The publication "Phase Annealing in SHELX-90: Direct Methods for Larger Structures" is placed in the Top 1000 of the best publications in CiteWeb. Also in the category Chemistry it is included to the Top 100. Additionally, the publicaiton "Phase Annealing in SHELX-90: Direct Methods for Larger Structures" is placed in the Top 100 among other scientific works published in 1990.
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