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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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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. |
format | Online Article Text |
id | pubmed-5377352 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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