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Absolute structure determination using CRYSTALS
Authors:Richard Ian Cooper  David John Watkin  Howard D. Flack
Abstract:A study of post‐refinement absolute structure determination using previously published data was carried out using the CRYSTALS software package. We show that absolute structure determination may be carried out optimally using the analyses available in CRYSTALS, and that it is not necessary to have the separate procedures absolute structure determination and no interest in absolute structure as proposed by Flack [Chimia (2014), 68 , 26–30].
Keywords:Absolute structure  Flack parameter  least‐squares refinement  CRYSTALS
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