Publication Date:
1990-02-01
Description:
Optimization has been made of the program SAPI for automatic solution of structures having pseudo-translational symmetry. This includes: (1) floating default cutoff of E's; (2) automatic and user-adjustable balance between the number of systematically strong reflections and that of the systematically weak ones; (3) R factors for reflection subsets corresponding to the 'strong' group and the 'weak' groups. Examples on solving structures with pseudo-translational symmetry are discussed in detail. They include known as well as unknown structures and centrosymmetric as well as non-centrosymmetric structures, all of which can be solved starting from a default run of SAPI.
Print ISSN:
0108-7673
Electronic ISSN:
2053-2733
Topics:
Chemistry and Pharmacology
,
Geosciences
,
Physics
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