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Single-crystal structure validation with the program<i>PLATON</i>

Journal of Applied Crystallography(2003)10.1107/s0021889802022112Source: DataRank Database

Single-crystal structure validation with the program<i>PLATON</i> is a research paper published in Journal of Applied Crystallography (2003). On theSindex it has a DataRank of 1.4. It has been cited 13,855 times.

N/A
1.4DataRank · unranked
1.4
Open Access13855 citations · base score 9.5
Cite:
datarank_citation_only_1hop_v6· scope data_onlyMethodology

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 journalActa Crystallographica Section Cand 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 programPLATONas part of the IUCrcheckCIFfacility.PLATONvalidation 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.

Data sources & pipeline
Pipeline:MetadataData-paper checkEnrichmentCitation networkScoring
Enrichment:Pending

FAIR Checklist

Context only (not used in score)
Findable (1/2)
  • Has DOI
Accessible (1/2)
  • Open Access
Interoperable (0/2)
    Reusable (0/3)

      FAIR checklist signals are shown for context only and do not affect DataRank scoring.

      DataRank Breakdown

      Base Score 100%Citation Network 0%

      Base Score Contribution

      1.4

      From this paper's citation signal

      Citation Network Contribution

      0

      Citation network not refreshed for this result

      This paper's DataRank is currently driven only by its base citation score. Citation network data was not refreshed for this result.

      Learn more about DataRank methodology →
      Why this DataRank?

      DataRank blends this paper's own citation count with the influence of the papers that cite it. Here, roughly 100% comes from its base citations and 0% from the citation network.

      Base score B(p)
      log1p(citation_count) — grows sub-linearly, so a paper with 1,000 citations is not 10× a paper with 100.
      Network N(p)
      Σ over citers of log1p(Cq) ÷ max(outdegreeq, 1). Being cited by a highly-cited paper with few references counts most.
      Damping factor d = 0.85
      DataRank = (1−d)·B(p) + d·N(p) — the two cards above are each already multiplied by their share.
      Self-citations excluded
      Citers sharing any OpenAlex author ID with this paper are filtered out before the network sum.

      Citers are pulled from OpenAlex sorted by cited_by_count:descand capped per paper, so when the cap binds we keep the highest-signal references and the score is reproducible across reruns.

      Read the full methodology →

      Authors (1)

      Anthony L. Spek

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      N/A
      1.7DataRank · unranked
      Acta Crystallographica Section A Foundations of Crystallography(2007)
      co-cited
      10.1107/s0108767307043930
      Acta Crystallographica Section D Biological Crystallography(2009)
      co-cited
      10.1107/s090744490804362x
      Journal of Computational Chemistry(2011)
      co-cited
      10.1002/jcc.22885