Using the t-distribution to improve the absolute structure assignment with likelihood calculations

R.W.W. Hooft, L.H. Straver, A.L. Spek

    Research output: Contribution to journalArticleAcademicpeer-review

    Abstract

    The previously described method for absolute structure determination [Hooft, Straver & Spek (2008). J. Appl. Cryst. 41, 96–103] assumes a Gaussian error distribution. The method is now extended to make it robust against poor data with large systematic errors with the introduction of the Student t-distribution. It is shown that this modification makes very little difference for good data but dramatically improves results for data with a non-Gaussian error distribution.
    Original languageEnglish
    Pages (from-to)665-668
    Number of pages4
    JournalJournal of Applied Crystallography
    Volume43
    Issue number4
    DOIs
    Publication statusPublished - 2010

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