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Validation and completion of the model

A crystal structure solution does not end with the development of a plausible model after the model has been built completely, multiple structural and profile parameters should be refined to achieve the best [Pg.499]

Coelho, Whole-profile structure solution from powder diffraction data using simulated annealing, J. Appl. Cryst. 33, 899 (2000). [Pg.499]

Giacovazzo, Direct methods and powder data state of the art and perspectives, Acta Cryst. A52, 331 (1996). [Pg.499]

Especially when powder data are complex, it may be necessary to use Rietveld technique to re-determine individual intensities before all structural details can be established using Fourier or differential Fourier maps. [Pg.499]


See other pages where Validation and completion of the model is mentioned: [Pg.499]    [Pg.500]   


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