A maximum-likelihood method for global-optimization-based structure determination from powder diffraction data.
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.
Markvardsen
Anders J
AJ
ISIS Facility, Rutherford Appleton Laboratory, Chilton, Oxon OX11 0QX, England.
David
William I F
WI
Shankland
Kenneth
K