caa a22 4500 37891247X CHVBK 20180305123545.0 cr unu---uuuuu 161128e20041201xx s 000 0 eng 10.1524/zkri.219.12.783.55862 doi (NATIONALLICENCE)gruyter-10.1524/zkri.219.12.783.55862 Renewed interest in powder diffraction data indexing [Elektronische Daten] [Jörg Bergmann, Armel Le Bail, Robin Shirley, Victor Zlokazov] Recently released powder indexing programs are reviewed and placed in competition with the established programs (ITO, TREOR, DICVOL, etc.) through a series of problems selected among previously unindexed ICDD entries designated as "high quality”. Benchmarks are provided for testing indexing programs, based on the bethanechol chloride powder diffraction data. Applying these benchmarks leads to a classification (with respect to this specific example) of indexing programs as they face progressively more difficult situations. High data quality and the user experience to obtain it are concluded to remain the best way to indexing success, given that nearly all programs produce excellent results with excellent data. Lack of attention to data quality, even if followed by use of the most efficient programs, will usually lead to failure. It is demonstrated how not restricting oneself to a single indexing program can considerably increase the chances of success. © 2004 Oldenbourg Wissenschaftsverlag GmbH Crystallography nationallicence Inorganic chemistry nationallicence Organic chemistry nationallicence Bergmann Jörg aut Le Bail Armel aut Shirley Robin aut Zlokazov Victor aut Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 219/12(2004-12-01), 783-790 2194-4946 219:12<783 2004 219 zkri https://doi.org/10.1524/zkri.219.12.783.55862 text/html Onlinezugriff via DOI 1 research article jats NATIONALLICENCE 856 40 https://doi.org/10.1524/zkri.219.12.783.55862 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Bergmann Jörg aut NATIONALLICENCE 700 1- Le Bail Armel aut NATIONALLICENCE 700 1- Shirley Robin aut NATIONALLICENCE 700 1- Zlokazov Victor aut NATIONALLICENCE 773 0- Zeitschrift für Kristallographie - Crystalline Materials De Gruyter Oldenbourg 219/12(2004-12-01), 783-790 2194-4946 219:12<783 2004 219 zkri CC0 http://creativecommons.org/publicdomain/zero/1.0 nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-gruyter