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Deterministic Bragg Coherent Diffraction Imaging

A deterministic variant of Bragg Coherent Diffraction Imaging is introduced in its kinematical approximation, for X-ray scattering from an imperfect crystal whose imperfections span no more than half of the volume of the crystal. This approach provides a unique analytical reconstruction of the objec...

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Autores principales: Pavlov, Konstantin M., Punegov, Vasily I., Morgan, Kaye S., Schmalz, Gerd, Paganin, David M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5430781/
https://www.ncbi.nlm.nih.gov/pubmed/28442775
http://dx.doi.org/10.1038/s41598-017-01164-x
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author Pavlov, Konstantin M.
Punegov, Vasily I.
Morgan, Kaye S.
Schmalz, Gerd
Paganin, David M.
author_facet Pavlov, Konstantin M.
Punegov, Vasily I.
Morgan, Kaye S.
Schmalz, Gerd
Paganin, David M.
author_sort Pavlov, Konstantin M.
collection PubMed
description A deterministic variant of Bragg Coherent Diffraction Imaging is introduced in its kinematical approximation, for X-ray scattering from an imperfect crystal whose imperfections span no more than half of the volume of the crystal. This approach provides a unique analytical reconstruction of the object’s structure factor and displacement fields from the 3D diffracted intensity distribution centred around any particular reciprocal lattice vector. The simple closed-form reconstruction algorithm, which requires only one multiplication and one Fourier transformation, is not restricted by assumptions of smallness of the displacement field. The algorithm performs well in simulations incorporating a variety of conditions, including both realistic levels of noise and departures from ideality in the reference (i.e. imperfection-free) part of the crystal.
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spelling pubmed-54307812017-05-16 Deterministic Bragg Coherent Diffraction Imaging Pavlov, Konstantin M. Punegov, Vasily I. Morgan, Kaye S. Schmalz, Gerd Paganin, David M. Sci Rep Article A deterministic variant of Bragg Coherent Diffraction Imaging is introduced in its kinematical approximation, for X-ray scattering from an imperfect crystal whose imperfections span no more than half of the volume of the crystal. This approach provides a unique analytical reconstruction of the object’s structure factor and displacement fields from the 3D diffracted intensity distribution centred around any particular reciprocal lattice vector. The simple closed-form reconstruction algorithm, which requires only one multiplication and one Fourier transformation, is not restricted by assumptions of smallness of the displacement field. The algorithm performs well in simulations incorporating a variety of conditions, including both realistic levels of noise and departures from ideality in the reference (i.e. imperfection-free) part of the crystal. Nature Publishing Group UK 2017-04-25 /pmc/articles/PMC5430781/ /pubmed/28442775 http://dx.doi.org/10.1038/s41598-017-01164-x Text en © The Author(s) 2017 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Pavlov, Konstantin M.
Punegov, Vasily I.
Morgan, Kaye S.
Schmalz, Gerd
Paganin, David M.
Deterministic Bragg Coherent Diffraction Imaging
title Deterministic Bragg Coherent Diffraction Imaging
title_full Deterministic Bragg Coherent Diffraction Imaging
title_fullStr Deterministic Bragg Coherent Diffraction Imaging
title_full_unstemmed Deterministic Bragg Coherent Diffraction Imaging
title_short Deterministic Bragg Coherent Diffraction Imaging
title_sort deterministic bragg coherent diffraction imaging
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5430781/
https://www.ncbi.nlm.nih.gov/pubmed/28442775
http://dx.doi.org/10.1038/s41598-017-01164-x
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