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Title: An encryption–decryption framework to validating single-particle imaging
Authors: Shen, Zhou 
Teo, Colin Zhi Wei 
Ayyer, Kartik
Loh, N. Duane 
Issue Date: 13-Jan-2021
Publisher: Nature Research
Citation: Shen, Zhou, Teo, Colin Zhi Wei, Ayyer, Kartik, Loh, N. Duane (2021-01-13). An encryption–decryption framework to validating single-particle imaging. Scientific Reports 11 (1) : 971. ScholarBank@NUS Repository.
Rights: Attribution 4.0 International
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. © 2021, The Author(s).
Source Title: Scientific Reports
ISSN: 2045-2322
DOI: 10.1038/s41598-020-79589-0
Rights: Attribution 4.0 International
Appears in Collections:Staff Publications

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