Automatic X-ray crystallographic phasing at LNLS

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