The joint probability distribution function of structure factors with rational indices. IV. The P1 case

Citation
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
Citations number
14
Categorie Soggetti
Physical Chemistry/Chemical Physics
Journal title
ACTA CRYSTALLOGRAPHICA SECTION A
ISSN journal
01087673 → ACNP
Volume
55
Year of publication
1999
Part
3
Pages
512 - 524
Database
ISI
SICI code
0108-7673(19990501)55:<512:TJPDFO>2.0.ZU;2-R
Abstract
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.