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

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 synchro...

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Detalles Bibliográficos
Autores principales: Sedlak, Steffen M., Bruetzel, Linda K., Lipfert, Jan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5377352/
https://www.ncbi.nlm.nih.gov/pubmed/28381982
http://dx.doi.org/10.1107/S1600576717003077
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author Sedlak, Steffen M.
Bruetzel, Linda K.
Lipfert, Jan
author_facet Sedlak, Steffen M.
Bruetzel, Linda K.
Lipfert, Jan
author_sort Sedlak, Steffen M.
collection PubMed
description 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 σ(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.
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spelling pubmed-53773522017-04-05 Quantitative evaluation of statistical errors in small-angle X-ray scattering measurements Sedlak, Steffen M. Bruetzel, Linda K. Lipfert, Jan J Appl Crystallogr Research Papers 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 σ(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. International Union of Crystallography 2017-03-29 /pmc/articles/PMC5377352/ /pubmed/28381982 http://dx.doi.org/10.1107/S1600576717003077 Text en © Steffen M. Sedlak et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Papers
Sedlak, Steffen M.
Bruetzel, Linda K.
Lipfert, Jan
Quantitative evaluation of statistical errors in small-angle X-ray scattering measurements
title Quantitative evaluation of statistical errors in small-angle X-ray scattering measurements
title_full Quantitative evaluation of statistical errors in small-angle X-ray scattering measurements
title_fullStr Quantitative evaluation of statistical errors in small-angle X-ray scattering measurements
title_full_unstemmed Quantitative evaluation of statistical errors in small-angle X-ray scattering measurements
title_short Quantitative evaluation of statistical errors in small-angle X-ray scattering measurements
title_sort quantitative evaluation of statistical errors in small-angle x-ray scattering measurements
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5377352/
https://www.ncbi.nlm.nih.gov/pubmed/28381982
http://dx.doi.org/10.1107/S1600576717003077
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