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A maximum-likelihood method for global-optimization-based structure determination from powder diffraction data
Anders J Markvardsen1, William I F David, Kenneth Shankland
1ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxon OX11 0QX, England.
Abstract:
A maximum-likelihood algorithm has been incorporated into a crystal structure determination from a powder diffraction data framework that uses an integrated-intensity-based global optimization technique. The algorithm is appropriate when the structural model being optimized is not a complete description of the crystal structure under study.