Automatic physical phasing X-ray crystallography

2004/09/19 by Sérgio L. Morelhão, Morelhão, Sérgio L., Luis H. Avanci +3
Physics and Astronomy · #FOS: Physical sciences #Materials Science (cond-mat.mtrl-sci) #cond-mat.mtrl-sci

paper · pdf · doi:10.48550/arxiv.cond-mat/0409487

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

arxiv created 2004/09/19 · arxiv updated 2009/12/01

Abstract

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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