Abstract
WE have found that Boolean optimisation methods can be used to derive phase information from observed X-ray structure factors. This will provide a new approach to the problem of the loss of phase information during X-ray diffraction experiments, which has been a major limitation to the study of the structure of matter. The possibilities of the method are demonstrated here in the successful application of integer programming optimisation techniques to the three-dimensional solution of centrosymmetric structures.
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KLUNK, D., MEYER, E. Applications of Boolean programming optimisation methodology to the direct solution of crystal structures. Nature 248, 761–762 (1974). https://doi.org/10.1038/248761a0
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DOI: https://doi.org/10.1038/248761a0
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