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Quantitative evaluation of statistical errors in small-angle X-ray scattering measurements.

ABSTRACT: A new model is proposed for the measurement errors incurred in typical small-angle X-ray scattering (SAXS) experiments, which takes into account the setup geometry and physics of the measurement process. The model accurately captures the experimentally determined errors from a large range of synchrotron and in-house anode-based measurements. Its most general formulation gives for the variance of the buffer-subtracted SAXS intensity ?2(q) = [I(q) + const.]/(kq), where I(q) is the scattering intensity as a function of the momentum transfer q; k and const. are fitting parameters that are characteristic of the experimental setup. The model gives a concrete procedure for calculating realistic measurement errors for simulated SAXS profiles. In addition, the results provide guidelines for optimizing SAXS measurements, which are in line with established procedures for SAXS experiments, and enable a quantitative evaluation of measurement errors.

SUBMITTER: Sedlak SM

PROVIDER: S-EPMC5377352 | biostudies-literature | 2017 Apr

REPOSITORIES: biostudies-literature

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Quantitative evaluation of statistical errors in small-angle X-ray scattering measurements.

Sedlak Steffen M SM Bruetzel Linda K LK Lipfert Jan J

Journal of applied crystallography 20170329 Pt 2

A new model is proposed for the measurement errors incurred in typical small-angle X-ray scattering (SAXS) experiments, which takes into account the setup geometry and physics of the measurement process. The model accurately captures the experimentally determined errors from a large range of synchrotron and in-house anode-based measurements. Its most general formulation gives for the variance of the buffer-subtracted SAXS intensity σ2(q) = [I(q) + const.]/(kq</ ...[more]

PMID: 28381982

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