Automatic physical phasing X-ray crystallography
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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