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Completion and refinement of crystal structures with SIR 92

Altomare, A., Cascarano, G., Giacovazzo, C., Guagliardi, A.·1993·Journal of Applied Crystallography

Abstract

An automatic procedure for recovering a complete crystal structure after a direct phasing process is described. The procedure consists mainly of a Fourier recycling method that can be implemented in any direct-methods package. The residual R value attained at the end of the process provides an estimate of the degree of success of the structure determination. The procedure can also be applied using a small molecular fragment as prior information. The procedure has been implemented into SIR92, the successor to SIR88.

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Metadata

Authors
Altomare, A., Cascarano, G., Giacovazzo, C., & Guagliardi, A.
Venue
Journal of Applied Crystallography
Published
1993-06-01
Volume
26
Issue
3
Pages
343-350
ISSN
0021-8898 (ISSN-L)
OpenAlex
W2080182825
Cited by
5,144
References
0
FWCI
22.11
Type
journal article
Language
en
Open access
closed

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CoChat. (2026). Citation check: Completion and refinement of crystal structures with SIR 92. https://app.cochat.ai/papers/10.1107/s0021889892010331
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Altomare, A., Cascarano, G., Giacovazzo, C., & Guagliardi, A. (1993). Completion and refinement of crystal structures with SIR 92. Journal of Applied Crystallography. https://doi.org/10.1107/s0021889892010331

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.