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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 early-2003 report from the Journal of
Applied Crystallography was cited 42 times in current
journal
articles indexed by Thomson ISI during May-June 2003. No other chemistry paper
published in the last
two years, aside from reviews, collected more citations during that two-month
period. Prior to the most
recent bimonthly count, citations to the paper have accrued as follows:
March-April 2003: 18 citations
January-February 2003: 11
Total citations to date: 71
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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