title: Absolute structure determination using CRYSTALS.
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].
authors.affiliation: Chemical Crystallography Laboratory, University of Oxford, 12 Mansfield Road, Oxford, Oxfordshire OX1 3TA, England.
authors.forename: Richard Ian
authors.initials: RI
authors.lastname: Cooper
authors.affiliation: Chemical Crystallography Laboratory, University of Oxford, 12 Mansfield Road, Oxford, Oxfordshire OX1 3TA, England.
authors.forename: David John
authors.initials: DJ
authors.lastname: Watkin
authors.affiliation: Chimie minérale, analytique et appliquée, University of Geneva, Geneva, Switzerland.
authors.forename: Howard D
authors.initials: HD
authors.lastname: Flack
keywords: Absolute structure; CRYSTALS; Flack parameter; least-squares refinement