The joint probability distribution function of structure factors with rational indices. V. The estimates

Citation
C. Giacovazzo et al., The joint probability distribution function of structure factors with rational indices. V. The estimates, ACT CRYST A, 55, 1999, pp. 525-532
Citations number
13
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
525 - 532
Database
ISI
SICI code
0108-7673(19990501)55:<525:TJPDFO>2.0.ZU;2-L
Abstract
The probabilistic formulae [Giacovazzo, Siliqi & Fernandez-Castano (1999). Acta Cryst. A55, 512-524] relating standard and half-integral index reflect ions are modified for practical applications. The experimental tests prove the reliability of the probabilistic relationships. The approach is further developed to explore whether the moduli of the half-integral index reflect ions can be evaluated in the absence of phase information; i.e. by exploiti ng the moduli of the standard reflections only. The final formulae indicate that estimates can be obtained, even though the reliability factor is a co nstant.