The method of representations of structure seminvariants. The strengthening of triplet relationships

G. Cascarano, Carmelo Giacovazzo, M. Camalli, R. Spagna, M. C. Burla, A. Nunzi, G. Polidori

Acta Crystallographica Section A Foundations of Crystallography · 1984 · 39 citations · 0 references

Concepts

Abstract

A probabilistic approach is described which is able to estimate triplet cosine invariants via their second representation. The experimental tests on structures of different complexity show that triplets with positive cosine are estimated with an accuracy better than via Cochran's distribution. Furthermore, in favourable cases, a large percentage of negative triplets can be found.