C. Giacovazzo et al., On integrating direct methods and isomorphous-replacement techniques: triplet estimation and treatment of errors, ACT CRYST A, 57, 2001, pp. 571-575
The method of joint probability distribution functions has been generalized
in order to include and treat different sources of error. The probability
distributions of the isomorphous pairs (E-p, E-d) and of the two triples (E
-ph, E-pk, E-pk, Eph+k, E-dh, E-dk, Edh+k) are obtained, on the assumption
that the lack of isomorphism and the errors in measurements cumulate on the
E-d variables. The conditional distributions of the two-phase and the thre
e-phase structure invariants are derived, showing how the reliability of th
e probabilistic estimates depends on the errors.