Automatic physical phasing X-ray crystallography

Details Automatic physical phasing X-ray crystallography Automatic physical phasing X-ray crystallography

2004-09-19

arxiv.org/abs/cond-mat/0409487v1

Physics

Condensed Matter

Materials Science

Presented at the 4th Conference on Synchrotron Radiation in Materials Science, Grenoble, France, August 23-25, 2004

Scientific paper

Phase invariants are important pieces of information about the atomic structures of crystals. There are several mathematical methods in X-ray crystallography to estimate phase invariants. The multi-wave diffraction phenomenon offers a unique opportunity of physically measuring phase invariants. In this work, the underneath principals for developing an automatic procedure to extract accurate phase-invariant values are described. A general systematic procedure is demonstrated, in practice, by analyzing intensity data from a KDP crystal.

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