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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 71 times in current
journal articles indexed by Thomson Scientific during July-August 2004. With
each bimonthly citation count since the summer of 2003, this has remained the
most-cited chemistry paper, excluding reviews, published in the last two
years, and the current tally is no exception. Prior to the most recent
bimonthly count, citations to the paper have accrued as follows:
May-June 2004: 42 citations
March-April 2004: 71
January-February 2004: 82
November-December 2003: 41
September-October 2003: 48
July-August 2003: 44
May-June 2003: 42
March-April 2003: 18
January-February 2003: 11
Total citations to date: 470
Related
information:
Top 10
scientists in Chemistry; for the period of January 1, 1994 -
August 31, 2004
SOURCE: Hot
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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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