Frequency statistical method for evaluating cosine invariants of three-phase relationships.
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.
Langs
D A
DA
Medical Foundation of Buffalo, NY 14203.
D003461:Crystallography; D008962:Models, Theoretical; D015394:Molecular Structure