Auflistung nach Mitwirkenden "Habermehl, Stefan"
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Comparison and evaluation of pair distribution functions, using a similarity measure based on cross‐correlation functions
Habermehl, Stefan; Schlesinger, Carina; Prill, Dragica (Journal of Applied Crystallography, 2021-03-31)An approach for the comparison of pair distribution functions (PDFs) has been developed using a similarity measure based on cross‐correlation functions. The PDF is very sensitive to changes in the local structure, i.e. ... -
Structure determination from unindexed powder data from scratch by a global optimization approach using pattern comparison based on cross‐correlation functions
Habermehl, Stefan; Schlesinger, Carina; Schmidt, Martin U. (Acta Crystallographica Section B, 2022-03-17)A method of ab initio crystal structure determination from powder diffraction data for organic and metal–organic compounds, which does not require prior indexing of the powder pattern, has been developed. Only a reasonable ... -
Structure determination of organic compounds by a fit to the pair distribution function from scratch without prior indexing
Schlesinger, Carina; Habermehl, Stefan; Prill, Dragica (Journal of Applied Crystallography, 2021-05-09)A method for the ab initio crystal structure determination of organic compounds by a fit to the pair distribution function (PDF), without prior knowledge of lattice parameters and space group, has been developed. The method ...