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The joint probability distribution of any set of phases given any set of diffraction magnitudes. II. Practical applications (1992)

Burla, M. C. ; Cascarano, G. ; Giacovazzo, C.

[S.l.] : International Union of Crystallography (IUCr)

Acta crystallographica 48 (1992), S. 906-912

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ISSN: 1600-5724

Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001

Topics: Chemistry and Pharmacology , Geosciences , Physics

Notes: In the first paper in this series [Giacovazzo, Burla & Cascarano (1992). Acta Cryst. A48, 901–906], the conditional joint probability distribution function of n phases given p ≥ n moduli was derived. The properties of the concluding formulae are checked here. It is found that the distribution is not maximized by the correct phases, mostly because of bias in the formulae. If the triplets are estimated via the P10 formula [Cascarano, Giacovazzo, Camalli, Spagna, Burla, Nunzi & Polidori (1984). Acta Cryst. A40, 278–283] instead of being estimated by the Cochran relationship [Cochran (1952). Acta Cryst. 5, 65–67], the situation is remarkably improved but further improvements are needed. A practical procedure is also described that successfully uses phase relationships to solve difficult structures.

Type of Medium: Electronic Resource

URL: http://dx.doi.org/10.1107/S010876739200518X

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