Structure Solution by Charge Flipping

Conference paper
Part of the NATO Science for Peace and Security Series B: Physics and Biophysics book series (NAPSB)

Abstract

Charge flipping is an iterative structure solution method based on the alternating modification of an electron density in direct space and structure factors in reciprocal space. It has been successfully applied to a range of crystallographic problems, including structure solution from powder diffraction data and from electron diffraction data obtained by the precession electron diffraction method. For electron diffraction no modification of the basic algorithm is necessary. For the structure solution from powder diffraction the histogram matching technique proved to be a powerful method to improve the quality of the solutions and use the algorithm to solve quite complex structures.

Keywords

Structure Solution Symmetry Analysis Barium Sulphate Phase Problem Electron Diffraction Data 
These keywords were added by machine and not by the authors. This process is experimental and the keywords may be updated as the learning algorithm improves.

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Copyright information

© Springer Science+Business Media Dordrecht 2012

Authors and Affiliations

  1. 1.Institute of Physics of the AS CRPrague 8Czech Republic

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