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"Single-crystal structure validation
with the program PLATON," by A.L.
Spek, Journal of Applied
Crystallography, 36(1): 7-13, February 2003.
[Author's affiliation: Utrecht University,
The Netherlands]
Abstract: "The results of a
single-crystal structure determination when in CIF format can now be validated
routinely by automatic procedures. In this way, many errors in published
papers can be avoided. The validation software generates a set of ALERTS
detailing issues to be addressed by the experimenter, author, referee and
publication journal. Validation was pioneered by the IUCr journal Acta
Crystallographica Section C and is currently standard procedure for structures
submitted for publication in all IUCr journals. The implementation of
validation procedures by other journals is in progress. This paper describes
the concepts of validation and the classes of checks that are carried out by
the program PLATON as part of the IUCr checkCIF facility. PLATON validation
can be run at any stage of the structure refinement, independent of the
structure determination package used, and is recommended for use as a routine
tool during or at least at the completion of every structure determination.
Two examples are discussed where proper validation procedures could have
avoided the publication of incorrect structures that had serious consequences
for the chemistry involved."
This 2003 report from the Journal of
Applied Crystallography was cited 41 times in current
journal articles
indexed by Thomson ISI during November-December 2003. No other chemistry paper
published in the last two
years, aside from reviews, posted a higher number of citations during that
two-month period. Along with topping
the chemistry list for several consecutive bimonthly counts now, this paper
also proved to be one of the most-cited
papers published in 2003, based on more than 200 citations tallied as of late
December. Prior to the most recent
two-month tabulation, citations to the paper have accrued as follows:
September-October 2003: 48 citations
July-August 2003: 44
May-June 2003: 42
March-April 2003: 18
January-February 2003: 11
Total citations to date: 204
Related
information:
Top
10 scientists in Chemistry; for the period of January 1, 1993 - October 31, 2003
SOURCE: Hot
Papers Database (Included with a subscription to the ISI print newsletter Science
Watch®, available from the ISI
Research Services Group. Packaged on a CD-ROM that is mailed with each Science
Watch issue, the Hot
Papers Database contains data on hundreds of highly cited papers published
during the last two years. User interface permits searching by author,
organization, journal, field, and more. Total citations, as well as citations
accrued during successive bimonthly periods, can be assessed and graphed. An
updated CD containing the most recent bimonthly data is mailed with every new
issue of Science
Watch,
six times a year. The CD also includes an electronic version of the Science
Watch
issue in HTML format, for personal desktop access.)
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