International Tables for Crystallography

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Locating heavy-atom sites
M. T. Stubbs and R. Huber. International Tables for Crystallography (2006). Vol. F, ch. 12.2, pp. 256-262  [ doi:10.1107/97809553602060000680 ]

Abstract

In order to obtain phase information from isomorphous replacement (or from anomalous dispersion), it is necessary to locate the atomic positions of the heavy-atom (or anomalous) scatterers. The topics covered in this chapter include: the origin of the phase problem; the Patterson function; difference Fourier maps; treatment of errors; automated search procedures; and special complications such as lack of isomorphism, space-group problems and high levels of substitution.


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About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.