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An encryption-decryption framework for validating single-particle imaging

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Document pages: 33 pages

Abstract: We propose an encryption-decryption framework for validating diffractionintensity volumes reconstructed using single-particle imaging (SPI) with x-rayfree-electron lasers (XFELs) when the ground truth volume is absent. Thisframework exploits each reconstructed volumes ability to decipher latentvariables (e.g. orientations) of unseen sentinel diffraction patterns. Usingthis framework, we quantify novel measures of orientation disconcurrence,inconsistency, and disagreement between the decryptions by two independentlyreconstructed volumes. We also study how these measures can be used to definedata sufficiency and its relation to spatial resolution, and the practicalconsequences of focusing XFEL pulses to smaller foci. This framework overcomescritical ambiguities in using Fourier Shell Correlation (FSC) as a validationmeasure for SPI. Finally, we show how this encryption-decryption frameworknaturally leads to an information-theoretic reformulation of the resolvingpower of XFEL-SPI, which we hope will lead to principled frameworks forexperiment and instrument design.

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