International Tables for Crystallography


Phase improvement by iterative density modification
K. Y. J. Zhang, K. D. Cowtan and P. Main. International Tables for Crystallography (2012). Vol. F, ch. 15.1, pp. 385-400  [ doi:10.1107/97809553602060000847 ]

Abstract

Density modification is a method for improving phase estimates arising from sources such as MIR/MAD and molecular replacement. This is achieved by use of chemical knowledge concerning the properties of well phased electron-density maps, including such features as solvent flatness, atomic composition and noncrystallographic symmetry. The calculation is performed iteratively, with alternating stages of map modification in real space and phase weighting in reciprocal space.


Access, prices and ordering

International Tables for Crystallography is available online as a full set of volumes through Wiley.

set

If you have already registered and are using a computer listed in your registration details, please email support@iucr.org for assistance.

About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The series consists of nine volumes and 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.