International
Tables for
Crystallography
Volume F
Crystallography of biological macromolecules
Edited by M. G. Rossmann and E. Arnold

International Tables for Crystallography (2006). Vol. F. ch. 16.2, p. 348   | 1 | 2 |

Section 16.2.3.4. The crystallographic maximum-entropy formalism

G. Bricognea*

aLaboratory of Molecular Biology, Medical Research Council, Cambridge CB2 2QH, England
Correspondence e-mail: gb10@mrc-lmb.cam.ac.uk

16.2.3.4. The crystallographic maximum-entropy formalism

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It is possible to solve explicitly the maximum-entropy equations (ME1) to (ME3) derived in Section 16.2.2.4[link] for the crystallographic case that has motivated this study, i.e. for the purpose of constructing [q^{\rm ME}({\bf x})] from the knowledge of a set of trial structure-factor values [{\bf F^{*}}]. These derivations are given in §3.4 and §3.5 of Bricogne (1984)[link]. Extensive relations with the algebraic formalism of traditional direct methods are exhibited in §4, and connections with the theory of determinantal inequalities and with the maximum-determinant rule of Tsoucaris (1970)[link] are studied in §6, of the same paper. The reader interested in these topics is invited to consult this paper, as space limitations preclude their discussion in the present chapter.

References

First citation Bricogne, G. (1984). Maximum entropy and the foundations of direct methods. Acta Cryst. A40, 410–445.Google Scholar
First citation Tsoucaris, G. (1970). A new method of phase determination. The `maximum determinant rule'. Acta Cryst. A26, 492–499.Google Scholar








































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