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Constraints and restraints in crystal structure analysis

Journal of Applied Crystallography (2009) 42(2) 362-364
DOI: 10.1107/S0021889808044142
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Abstract

The widely used restraint-based approach to structural analysis using diffraction data is critiqued. The convenience of using rigid constraints, through the use of internal coordinates, is discussed. © Attilio Immirzi 2009.

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Immirzi, A. (2009). Constraints and restraints in crystal structure analysis. Journal of Applied Crystallography, 42(2), 362–364. https://doi.org/10.1107/S0021889808044142

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