title: Frequency statistical method for evaluating cosine invariants of three-phase relationships.
abstract: A new variation on the established procedure to evaluate three-phase structure invariants through quadrupole relationships is described. This method differs from earlier algebraic formulations in that the cosine-invariant estimates are based on a conditional observed frequency distribution of magnitude of E magnitudes for the quadrupole, rather than on the values of the magnitudes themselves. Successful applications of this method to a number of structures that ranged in size from 84 to 317 independent non-hydrogen light atoms are given.
authors.affiliation: Medical Foundation of Buffalo, NY 14203.
authors.forename: D A
authors.initials: DA
authors.lastname: Langs
mesh_terms: D003461:Crystallography; D008962:Models, Theoretical; D015394:Molecular Structure