On the Application of Phase-relationships To Complex Structures .29. Choosing the Large-es
(1991) Acta Crystallographica. Section A: Foundations of Crystallography — Vol. 47, p. 278-281 (1991)
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- Abstract
- The set of large Es through which a structure is solved by direct methods is usually chosen by a convergence or convergence-divergence process. This process aims to give a strong phase-extension pathway starting from a small set of Es whose phases are known or allocated in some way. Sometimes sets of reflexions thus obtained are poorly conditioned and under tangent-formula refinement even initially correct phases will degenerate to randomness. A simple new algorithm has been developed which improves the conditioning of the complete set of reflexions and their relationships and is more appropriate to current trends to start refinement from a complete set of random phases. A particular feature of this algorithm is that it maximizes the minimum number of relationships for any reflexion.
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Germain, G., Nastopoulos, V., & Woolfson, MM. (1991). On the Application of Phase-relationships To Complex Structures .29. Choosing the Large-es. Acta Crystallographica. Section A: Foundations of Crystallography, 47, 278-281. https://doi.org/10.1107/S0108767391000958 (Original work published 1991)