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Wiley, Acta Crystallographica Section a Foundations of Crystallography, 6(50), p. 771-778, 1994

DOI: 10.1107/s0108767394004721

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The probabilistic estimation of triplet invariants: the formulaP13

Journal article published in 1994 by M. C. Burla, C. Giacovazzo, A. G. G. Moliterni, J. Gonzalez Platas ORCID
This paper was not found in any repository, but could be made available legally by the author.
This paper was not found in any repository, but could be made available legally by the author.

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Abstract

The second representation of a triplet invariant [Giacovazzo (1977). Acta Cryst. A33, 933-944] is a collection of special quintets. In the present paper, the triplet is embedded in many more additional quintets obtained in a special way by symmetry operations on the indices of the structure factors. The method of joint probability distribution functions has been used to derive a formula for estimating triplets via the information contained in the basis and in the cross terms of the quintet invariants. The P10 formula [Cascarano, Giacovazzo, Camalli, Spagna, Burla, Nunzi & Polidori (1984). Acta Cryst. A40, 278-283] is a special case of the new formula, here called P13. The new expression has been applied to practical cases.