%0 Journal Article %1 Habermehl2014 %A Habermehl, Stefan %A Mörschel, Philipp %A Eisenbrandt, Pierre %A Hammer, Sonja M. %A Schmidt, Martin U. %D 2014 %I International Union of Crystallography %J Acta Crystallographica Section B %K computer-program cross-correlation-functions crystal-structure-solution fidel force-field-methods powder-diffraction x-ray-powder-diffraction %N 2 %P 347--359 %R 10.1107/s2052520613033994 %T Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions %U http://dx.doi.org/10.1107/s2052520613033994 %V 70 %X A method was developed and implemented for fitting a crystal structure to a powder pattern, even if the lattice parameters deviate strongly. The method is even successful for powder diagrams of very low quality. Applications include an automatic fit starting from predicted structures or isostructural compounds.

@article{Habermehl2014, abstract = {{A method was developed and implemented for fitting a crystal structure to a powder pattern, even if the lattice parameters deviate strongly. The method is even successful for powder diagrams of very low quality. Applications include an automatic fit starting from predicted structures or isostructural compounds.}}, added-at = {2019-03-11T21:00:05.000+0100}, author = {Habermehl, Stefan and M{\"{o}}rschel, Philipp and Eisenbrandt, Pierre and Hammer, Sonja M. and Schmidt, Martin U.}, biburl = {https://www.bibsonomy.org/bibtex/29361e07b571a7b5329685319b1234741/fairybasslet}, citeulike-article-id = {13016438}, citeulike-attachment-1 = {habermehl_14_structure_957640.pdf; /pdf/user/fairybasslet/article/13016438/957640/habermehl_14_structure_957640.pdf; 6cf7b59e99f6266af7cfbb45e12fea1041f5e3ef}, citeulike-linkout-0 = {http://dx.doi.org/10.1107/s2052520613033994}, citeulike-linkout-1 = {http://scripts.iucr.org/cgi-bin/paper?S2052520613033994}, doi = {10.1107/s2052520613033994}, file = {habermehl_14_structure_957640.pdf}, interhash = {be0adaf5703772b0b3d0062d96698551}, intrahash = {9361e07b571a7b5329685319b1234741}, issn = {urn:issn:2052-5192}, journal = {Acta Crystallographica Section B}, keywords = {computer-program cross-correlation-functions crystal-structure-solution fidel force-field-methods powder-diffraction x-ray-powder-diffraction}, month = apr, number = 2, pages = {347--359}, posted-at = {2014-03-31 20:18:05}, priority = {0}, publisher = {International Union of Crystallography}, timestamp = {2019-03-11T21:06:37.000+0100}, title = {{Structure determination from powder data without prior indexing, using a similarity measure based on cross-correlation functions}}, url = {http://dx.doi.org/10.1107/s2052520613033994}, volume = 70, year = 2014 }