Automatic physical phasing X-ray crystallography
Materials Science
2007-05-23 v1
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.
Cite
@article{arxiv.cond-mat/0409487,
title = {Automatic physical phasing X-ray crystallography},
author = {Sérgio L. Morelhão and Luis H. Avanci and Stefan Kycia},
journal= {arXiv preprint arXiv:cond-mat/0409487},
year = {2007}
}
Comments
Presented at the 4th Conference on Synchrotron Radiation in Materials Science, Grenoble, France, August 23-25, 2004