Maximum entropy-a new approach to the crystallographic phase problem

Narayan, Ramesh ; Nityananda, Rajaram ; Vani, G. V. (1983) Maximum entropy-a new approach to the crystallographic phase problem Proceedings of the Indian Academy of Sciences - Chemical Sciences, 92 (4-5). pp. 341-358. ISSN 0253-4134

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We have recently drawn the attention of crystallographers to the maximum entropy method (MEM) of image reconstruction which has found application in radio astronomy and geophysics. In this article, we review the theory of the MEM as applied to the crystallographic phase problem and discuss points of similarity, and differences, with conventional techniques. We then present a number of illustrative calculations in two and three dimensions on simulated and real structures. These examples show that the MEM can be used for phase refinement from partially known phases, say in macromolecular crystallography, and also for solving crystal structures ab initio using only measured Fourier amplitudes. With improved algorithms the method promises to become competitive with current techniques in crystal structure analysis.

Item Type:Article
Source:Copyright of this article belongs to Indian Academy of Sciences.
Keywords:Crystallography; Crystal Structure Analysis; Phase Problem; Maximum Entropy Method; Direct Methods
ID Code:26477
Deposited On:06 Dec 2010 12:28
Last Modified:17 May 2016 09:46

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