Propagating errors in small-angle scattering data treatment

D.I. Svergun, J.S. Pedersen

    Research output: Contribution to journalJournal articleResearchpeer-review

    Abstract

    The problem of error propagation using indirect methods for small-angle scattering data treatment is considered. In these methods, the number of parameters to be determined is normally larger than the maximum number of independent parameters predicted by the Shannon sampling theorem and the solution has to be regularized. It is shown in model examples that evaluation of the error propagation via the covariance matrix can lead to significant overestimation of the propagated errors. The reason is that the procedure involves inversion of an ill-conditioned matrix. As an alternative, the Monte Carlo simulation procedure is recommended.
    Original languageEnglish
    JournalJournal of Applied Crystallography
    Volume27
    Issue number3
    Pages (from-to)241-248
    ISSN0021-8898
    DOIs
    Publication statusPublished - 1994

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