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

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...

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Bibliographic Details
Published in:Journal of applied crystallography 2010-08, Vol.43 (4), p.665-668
Main Authors: Hooft, Rob W. W., Straver, Leo H., Spek, Anthony L.
Format: Article
Language:English
Subjects:
absolute structure
Crystallography
Error analysis
Errors
Gaussian
Mathematical analysis
Non-Gaussian
Normal distribution
Student t-distribution
Students
Systematic errors
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Summary: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.
ISSN:1600-5767
0021-8898
1600-5767
DOI:10.1107/S0021889810018601