%0 Journal Article %1 Altomare2004 %A Altomare, A. %A Caliandro, R. %A Camalli, M. %A Cuocci, C. %A Silva, I. Da %A Giacovazzo, C. %A Moliterni, A. G. G. %A Spagna, R. %A IUCr, %D 2004 %I International Union of Crystallography %J Journal of Applied Crystallography %K powder-diffraction probabilistic-approach space-group-determination %N 6 %P 957--966 %R 10.1107/s0021889804023982 %T Space-group determination from powder diffraction data: a probabilistic approach %U http://dx.doi.org/10.1107/s0021889804023982 %V 37 %X Experimental powder diffraction diagrams, once indexed and decomposed into single diffraction intensities, can be submitted to statistical analysis for the determination of space-group symmetry. A new algorithm is illustrated, which is able to provide, on a quantitative basis, a probability value for each extinction symbol compatible with the previously established lattice symmetry. The algorithm has been implemented in EXPO2004 Altomare, Caliandro, Camalli, Cuocci, Giacovazzo, Moliterni & Rizzi (2004). J. Appl. Cryst. 37, 1025–1028 and has been successfully tested using a large set of experimental data.

@article{Altomare2004, abstract = {{Experimental powder diffraction diagrams, once indexed and decomposed into single diffraction intensities, can be submitted to statistical analysis for the determination of space-group symmetry. A new algorithm is illustrated, which is able to provide, on a quantitative basis, a probability value for each extinction symbol compatible with the previously established lattice symmetry. The algorithm has been implemented in EXPO2004 [Altomare, Caliandro, Camalli, Cuocci, Giacovazzo, Moliterni \& Rizzi (2004). J. Appl. Cryst. 37, 1025–1028] and has been successfully tested using a large set of experimental data.}}, added-at = {2019-03-11T21:00:05.000+0100}, author = {Altomare, A. and Caliandro, R. and Camalli, M. and Cuocci, C. and Silva, I. Da and Giacovazzo, C. and Moliterni, A. G. G. and Spagna, R. and IUCr}, biburl = {https://www.bibsonomy.org/bibtex/2b48f0178b8c052c586e78c1e2b6e3741/fairybasslet}, citeulike-article-id = {2314}, citeulike-linkout-0 = {http://dx.doi.org/10.1107/s0021889804023982}, citeulike-linkout-1 = {http://scripts.iucr.org/cgi-bin/paper?S0021889804023982}, day = 01, doi = {10.1107/s0021889804023982}, interhash = {3d80b4a52309f001be1610699e96f54a}, intrahash = {b48f0178b8c052c586e78c1e2b6e3741}, issn = {0021-8898}, journal = {Journal of Applied Crystallography}, keywords = {powder-diffraction probabilistic-approach space-group-determination}, month = dec, number = 6, pages = {957--966}, posted-at = {2018-09-11 13:01:05}, priority = {2}, publisher = {International Union of Crystallography}, timestamp = {2019-03-11T21:06:37.000+0100}, title = {{Space-group determination from powder diffraction data: a probabilistic approach}}, url = {http://dx.doi.org/10.1107/s0021889804023982}, volume = 37, year = 2004 }