title: Direct methods and isomorphous replacement. The triplet invariant estimate when heavy atoms are located.
abstract: The probabilistic theory of the three-phase structure invariants for isomorphous pairs has been generalized to the case in which a heavy-atom structure model is available. The rigorous method of joint probability distributions has been applied: it is able to handle errors in measurements and in the heavy-atom structure model, as well as the lack of isomorphism. The conclusive formulas have been successfully applied to experimental data.
authors.affiliation: IRMEC-CNR, c/o Dipartimento Geomineralogico, Università di Bari, Campus Universitario, Via Orabona 4, 70125 Bari, Italy. c.giacovazzo@area.ba.cnr.it
authors.forename: Carmelo
authors.initials: C
authors.lastname: Giacovazzo
authors.forename: Dritan
authors.initials: D
authors.lastname: Siliqi
authors.forename: Liberato
authors.initials: L
authors.lastname: De Caro