Monte-Carlo/simulated annealing algorithm configuration

Despite such restrictions, real space crystallographic methods based on genetic algorithms, Monte-Carlo methods, or simulated annealing techniques have proved to be powerful means for structure solutions from X-ray powder patterns. Provided with the unit cell, the composition and configuration of the asymmetric unit, and sufficiently texture-free diffraction data, refinable structure models can be obtained within minutes on a personal computer, even for molecules with multiple internal degrees of freedom. The resulting structure models are then refined by Rietveld techniques, which use the whole profile of the X-ray diffraction pattern for refinement . ... 

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