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Improved estimation of the radius of gyration from small-angle x-ray scattering data

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dc.contributor.authorAlsaker, Cody
dc.contributor.authorBreidt, F. Jay
dc.contributor.authorvan der Woerd, Mark J.
dc.date.accessioned2015-09-09T15:58:48Z
dc.date.available2015-09-09T15:58:48Z
dc.date.issued2015
dc.descriptionDepartment of Statistics
dc.description.abstractSmall-angle X-ray scattering (SAXS) is an experimentally simple technique that provides access to low-resolution information about biological macromolecules in solution. We here provide R code and example data sets for a new algorithm that produces accurate and precise values for the radius of gyration, Rg, of a particle. Theory states that the information derived from the lowest scattering angles can be used to estimate Rg. The value Rg is a fundamental structural parameter that is related to a molecule's size and shape. The original algorithm implemented with the R code estimates Rg with a reliable variance estimate and with higher precision than the classical method. A bias-variance criterion is minimized to determine the optimal number of data points to calculate Rg. After accounting for correlation in the data, least squares regression is used to estimate the radius of gyration and an accurate variance estimate. The software also supports the use of replicate data. Use of the code and examples is described in README.pdf.
dc.format.mediumZIP
dc.format.mediumPDF
dc.format.mediumDAT
dc.format.mediumR
dc.identifier.urihttp://hdl.handle.net/10217/167285
dc.identifier.urihttp://dx.doi.org/10.25675/10217/167285
dc.languageEnglish
dc.language.isoeng
dc.publisherColorado State University. Libraries
dc.relation.ispartofResearch Data
dc.relation.isreferencedbyAlsaker, Cody, Statistical innovations for estimating shape characteristics of biological macromolecules in solution using small-angle x-ray scattering data. (Unpublished doctoral dissertation). Colorado State University, 2016. http://hdl.handle.net/10217/173360
dc.titleImproved estimation of the radius of gyration from small-angle x-ray scattering data
dc.typeDataset

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