The method of representations of structure seminvariants. II. New theoretical and practical aspects
Carmelo Giacovazzo · Acta Crystallographica Section A · 1980
The fundamental ideas of representation given in a preceding paper [Giacovazzo (1977). Acta Cryst. A33, 933-944] are generalized further. Some algebraic properties of structure seminvariants are stated and their importance for practical applications is discussed. The concept of a generalized first phasing shell is introduced: it allows in some cases a better estimation of the seminvariants.