C. Giacovazzo et al., The joint probability distribution function of structure factors with rational indices. IV. The P1 case, ACT CRYST A, 55, 1999, pp. 512-524
The method of the joint probability distribution functions of structure fac
tors has been extended to reflections with rational indices. The most gener
al case, space group P1, has been considered. The positional parameters are
the primitive random variables of our probabilistic approach, while the re
flection indices are kept fixed. Quite general joint probability distributi
ons have been considered from which conditional distributions have been der
ived: these proved applicable to the accurate estimation of the real and im
aginary parts of a structure factor, given prior information on other struc
ture factors. The method is also discussed in relation to the Hilbert-trans
form techniques.