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An inclined detector geometry for improved X-ray total scattering measurements

X-ray total scattering measurements are implemented using a digital flat-panel area detector in an inclined geometry and compared with the traditional geometry. The traditional geometry is defined here by the incident X-ray beam impinging on and normal to the center-most pixel of a detector. The inc...

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Autores principales: Burns, Nicholas, Rahemtulla, Aly, Annett, Scott, Moreno, Beatriz, Kycia, Stefan
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10077857/
https://www.ncbi.nlm.nih.gov/pubmed/37032974
http://dx.doi.org/10.1107/S1600576723001747
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author Burns, Nicholas
Rahemtulla, Aly
Annett, Scott
Moreno, Beatriz
Kycia, Stefan
author_facet Burns, Nicholas
Rahemtulla, Aly
Annett, Scott
Moreno, Beatriz
Kycia, Stefan
author_sort Burns, Nicholas
collection PubMed
description X-ray total scattering measurements are implemented using a digital flat-panel area detector in an inclined geometry and compared with the traditional geometry. The traditional geometry is defined here by the incident X-ray beam impinging on and normal to the center-most pixel of a detector. The inclined geometry is defined here by a detector at a pitch angle α, set to 15° in this case, bisected by the vertical scattering plane. The detector is positioned such that the incident X-ray beam strikes the pixels along the bottom edge and 90° scattered X-rays impinge on the pixels along the top edge. The geometric attributes of the inclined geometry translate into multiple benefits, such as an extension of the measurable scattering range to 90°, a 47% increase in the accessible magnitudes of the reciprocal-space vector Q and a leveling of the dynamic range in the measured total scattering pattern. As a result, a sixfold improvement in signal-to-noise ratios is observed at higher scattering angles, enabling up to a 36-fold reduction in acquisition time. Additionally, the extent of applied modification functions is reduced, decreasing the magnitude of termination ripples and improving the real-space resolution of the pair distribution function G(r). Taken all together, these factors indicate that the inclined geometry produces higher quality data than the traditional geometry, usable for simultaneous Rietveld refinement and total scattering studies.
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spelling pubmed-100778572023-04-07 An inclined detector geometry for improved X-ray total scattering measurements Burns, Nicholas Rahemtulla, Aly Annett, Scott Moreno, Beatriz Kycia, Stefan J Appl Crystallogr Research Papers X-ray total scattering measurements are implemented using a digital flat-panel area detector in an inclined geometry and compared with the traditional geometry. The traditional geometry is defined here by the incident X-ray beam impinging on and normal to the center-most pixel of a detector. The inclined geometry is defined here by a detector at a pitch angle α, set to 15° in this case, bisected by the vertical scattering plane. The detector is positioned such that the incident X-ray beam strikes the pixels along the bottom edge and 90° scattered X-rays impinge on the pixels along the top edge. The geometric attributes of the inclined geometry translate into multiple benefits, such as an extension of the measurable scattering range to 90°, a 47% increase in the accessible magnitudes of the reciprocal-space vector Q and a leveling of the dynamic range in the measured total scattering pattern. As a result, a sixfold improvement in signal-to-noise ratios is observed at higher scattering angles, enabling up to a 36-fold reduction in acquisition time. Additionally, the extent of applied modification functions is reduced, decreasing the magnitude of termination ripples and improving the real-space resolution of the pair distribution function G(r). Taken all together, these factors indicate that the inclined geometry produces higher quality data than the traditional geometry, usable for simultaneous Rietveld refinement and total scattering studies. International Union of Crystallography 2023-04-01 /pmc/articles/PMC10077857/ /pubmed/37032974 http://dx.doi.org/10.1107/S1600576723001747 Text en © Nicholas Burns et al. 2023 https://creativecommons.org/licenses/by/4.0/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.
spellingShingle Research Papers
Burns, Nicholas
Rahemtulla, Aly
Annett, Scott
Moreno, Beatriz
Kycia, Stefan
An inclined detector geometry for improved X-ray total scattering measurements
title An inclined detector geometry for improved X-ray total scattering measurements
title_full An inclined detector geometry for improved X-ray total scattering measurements
title_fullStr An inclined detector geometry for improved X-ray total scattering measurements
title_full_unstemmed An inclined detector geometry for improved X-ray total scattering measurements
title_short An inclined detector geometry for improved X-ray total scattering measurements
title_sort inclined detector geometry for improved x-ray total scattering measurements
topic Research Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10077857/
https://www.ncbi.nlm.nih.gov/pubmed/37032974
http://dx.doi.org/10.1107/S1600576723001747
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