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Results and conclusions of the internet based “Search/match round robin 2002”

Published online by Cambridge University Press:  06 March 2012

J-M. Le Meins ,
L. M. D. Cranswick  and
A. Le Bail
J-M. Le Meins*
Affiliation:
Laboratoire de Matériaux Minéraux, UMR CNRS 7016, Ecole Nationale Supérieure de Chimie de Mulhouse, 3, rue Alfred Werner, 68093 Mulhouse Cedex, France
L. M. D. Cranswick
Affiliation:
CCP14 Project-School of Crystallography, Birkbeck University of London, Malet Street, Bloomsbury, WC1E 7HX, London, United Kingdom
A. Le Bail
Affiliation:
Laboratoire des Fluorures, UMR CNRS 6010, Université du Maine, Avenue O. Messiaen, 72085 Le Mans Cedex 9, France
*
a)Electronic mail: [email protected]
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Abstract

To test the effectiveness of phase identification software, a two-stage search/match round robin using powder X-ray diffraction data was organized, through the internet and world wide web. The first stage provided powder patterns and a vague sample origin, the second stage provided the chemistry and sample history. While the statistics are not robust, it shows that routine phase identification without chemistry can be performed, providing effective modern third generation search/match software is used; the most up to date databases are available; and well trained, experienced scientists perform the analysis.

Keywords

search/matchround robinphase identificationpowder diffraction
Type
Technical Articles
Information
Powder Diffraction , Volume 18 , Issue 2 , June 2003 , pp. 106 - 113
Copyright
Copyright © Cambridge University Press 2005

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References

Caussin, P., Nusinovici, J., and Beard, D. W. (1988). “Using digitized X-ray powder diffraction scans as input for a new PC-AT Search/match program,” Adv. X-ray Anal. AXRAAA 31, 423–430. axr, AXRAAA Google Scholar
Cranswick, L. M. D. (2002). “Available search/match software,” http://www.ccp14.ac.uk/solution/search-match.htmGoogle Scholar
Hanawalt, J. D. (1986). “Manual search/match methods for powder diffraction in 1986,” Powder Diffr. PODIE2 1, 7–13. pdj, PODIE2 Google Scholar
Jenkins, R. (1976). “A round robin test to evaluate computer search/match methods for qualitative powder diffractometry,” Adv. X-ray Anal. AXRAAA 20, 125–137. axr, AXRAAA Google Scholar
Jenkins, R., and Hubbard, C. (1978). “A preliminary report on the design and results of the second round robin to evaluate search/match methods for qualitative powder diffractometry,” Adv. X-ray Anal. AXRAAA 22, 133–142. axr, AXRAAA Google Scholar
Jenkins, R., and Snyder, R. L. (1996). X-ray Powder Diffractometry (Wiley, New York).Google Scholar
Langford, J. I., and Louër, D. (1996). “Powder diffraction,” Rep. Prog. Phys. RPPHAG 59, 131–234. rpp, RPPHAG CrossRefGoogle Scholar
Marquart, R. G. (1986). “μPDSM: Mainframe search/match on an IBM PC,” Powder Diffr. PODIE2 1, 34–39. pdj, PODIE2 CrossRefGoogle Scholar
Marquart, R. G., Katsnelson, I., Milne, G. W. A., Heller, S. R., Johnson, G. G. Jr., and Jenkins, R. (1979). “A search-match system for X-ray powder diffraction data,” J. Appl. Crystallogr. JACGAR 12, 629–634. acr, JACGAR Google Scholar
Smith, D. K., and Gorter, S. (1992). “Powder diffraction program information 1990 program list,” J. Appl. Crystallogr. JACGAR 24, 369–402. acr, JACGAR Google Scholar