How the R factor changes as molecules become larger

Frederik C Krebs

    Research output: Contribution to journalJournal articleResearchpeer-review

    Abstract

    The R factors and the numbers of independent atoms for the entire set of molecular organic structures contained in the Cambridge Structural Database were retrieved and analysed. The average R factor for all structures containing the same number of independent atoms was plotted against the number of independent atoms. A clear correlation was observed. The plot is suggested to give a graphical overview of how values of the R factor for large-molecule structures with 200-1000 independent atoms increase as the number of independent atoms increases. (C) 2000 International Union of Crystallography Printed in Great Britain - all rights reserved.
    Original languageEnglish
    JournalJournal of Applied Crystallography
    Volume33
    Issue number2
    Pages (from-to)392-393
    ISSN0021-8898
    DOIs
    Publication statusPublished - 2000

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