System and method for reducing phase ambiguity of crystal structure factors

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United States of America Patent

PATENT NO 6438205
APP PUB NO 20020025021A1
SERIAL NO

09851503

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Abstract

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A method reduces the structure factor phase ambiguity corresponding to a selected reciprocal lattice vector. The method includes generating an original phase probability distribution corresponding to a selected structure factor phase of the selected reciprocal lattice vector. The original phase probability distribution includes a first structure factor phase ambiguity. The method further includes combining the original phase probability distribution with a plurality of phase probability distributions of a plurality of structure factor phases of other reciprocal lattice vectors using a phase equation or inequality. The phase equation or inequality defines a mathematical relationship between the selected structure factor phase of the selected reciprocal lattice vector and the plurality of structure factor phases of other reciprocal lattice vectors. The method further includes producing a resultant phase probability distribution for the selected structure factor phase of the selected reciprocal lattice vector. The resultant phase probability distribution includes a second structure factor phase ambiguity which is smaller than the first structure factor phase ambiguity.

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Patent Owner(s)

Patent OwnerAddress
DASSAULT SYSTEMES AMERICAS CORP175 WYMAN STREET WALTHAM MA 02451

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Inventor(s)

Inventor Name Address # of filed Patents Total Citations
Dzakula, Zeljko Rancho Penasquitos, CA 35 1173

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