An encryption–decryption framework to validating single-particle imaging

Abstract We propose an encryption–decryption framework for validating diffraction intensity volumes reconstructed using single-particle imaging (SPI) with X-ray free-electron lasers (XFELs) when the ground truth volume is absent. This conceptual framework exploits each reconstructed volumes’ ability...

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Autores principales:	Zhou Shen, Colin Zhi Wei Teo, Kartik Ayyer, N. Duane Loh
Formato:	article
Lenguaje:	EN
Publicado:	Nature Portfolio 2021
Materias:	Medicine R Science Q
Acceso en línea:	https://doaj.org/article/0e1f4c2dc0b7479b8aa52ea92d60a341
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spelling	oai:doaj.org-article:0e1f4c2dc0b7479b8aa52ea92d60a3412021-12-02T14:01:19ZAn encryption–decryption framework to validating single-particle imaging10.1038/s41598-020-79589-02045-2322https://doaj.org/article/0e1f4c2dc0b7479b8aa52ea92d60a3412021-01-01T00:00:00Zhttps://doi.org/10.1038/s41598-020-79589-0https://doaj.org/toc/2045-2322Abstract We propose an encryption–decryption framework for validating diffraction intensity volumes reconstructed using single-particle imaging (SPI) with X-ray free-electron lasers (XFELs) when the ground truth volume is absent. This conceptual framework exploits each reconstructed volumes’ ability to decipher latent variables (e.g. orientations) of unseen sentinel diffraction patterns. Using this framework, we quantify novel measures of orientation disconcurrence, inconsistency, and disagreement between the decryptions by two independently reconstructed volumes. We also study how these measures can be used to define data sufficiency and its relation to spatial resolution, and the practical consequences of focusing XFEL pulses to smaller foci. This conceptual framework overcomes critical ambiguities in using Fourier Shell Correlation (FSC) as a validation measure for SPI. Finally, we show how this encryption-decryption framework naturally leads to an information-theoretic reformulation of the resolving power of XFEL-SPI, which we hope will lead to principled frameworks for experiment and instrument design.Zhou ShenColin Zhi Wei TeoKartik AyyerN. Duane LohNature PortfolioarticleMedicineRScienceQENScientific Reports, Vol 11, Iss 1, Pp 1-17 (2021)
institution	DOAJ
collection	DOAJ
language	EN
topic	Medicine R Science Q
spellingShingle	Medicine R Science Q Zhou Shen Colin Zhi Wei Teo Kartik Ayyer N. Duane Loh An encryption–decryption framework to validating single-particle imaging
description	Abstract We propose an encryption–decryption framework for validating diffraction intensity volumes reconstructed using single-particle imaging (SPI) with X-ray free-electron lasers (XFELs) when the ground truth volume is absent. This conceptual framework exploits each reconstructed volumes’ ability to decipher latent variables (e.g. orientations) of unseen sentinel diffraction patterns. Using this framework, we quantify novel measures of orientation disconcurrence, inconsistency, and disagreement between the decryptions by two independently reconstructed volumes. We also study how these measures can be used to define data sufficiency and its relation to spatial resolution, and the practical consequences of focusing XFEL pulses to smaller foci. This conceptual framework overcomes critical ambiguities in using Fourier Shell Correlation (FSC) as a validation measure for SPI. Finally, we show how this encryption-decryption framework naturally leads to an information-theoretic reformulation of the resolving power of XFEL-SPI, which we hope will lead to principled frameworks for experiment and instrument design.
format	article
author	Zhou Shen Colin Zhi Wei Teo Kartik Ayyer N. Duane Loh
author_facet	Zhou Shen Colin Zhi Wei Teo Kartik Ayyer N. Duane Loh
author_sort	Zhou Shen
title	An encryption–decryption framework to validating single-particle imaging
title_short	An encryption–decryption framework to validating single-particle imaging
title_full	An encryption–decryption framework to validating single-particle imaging
title_fullStr	An encryption–decryption framework to validating single-particle imaging
title_full_unstemmed	An encryption–decryption framework to validating single-particle imaging
title_sort	encryption–decryption framework to validating single-particle imaging
publisher	Nature Portfolio
publishDate	2021
url	https://doaj.org/article/0e1f4c2dc0b7479b8aa52ea92d60a341
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An encryption–decryption framework to validating single-particle imaging

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