Reconstruction of 3D structure for nanoscale biological objects from experiments data on super-bright X-ray free electron lasers (XFELs): dependence of the 3D resolution on the experiment parameters

Ikonnikova, K. A.; Teslyuk, Anton; Bobkov, Sergey; Zolotarev, S. I.; Ilyin, V. A.

doi:10.1016/j.procs.2019.08.129

Cited by 3 publications

(3 citation statements)

References 23 publications

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“…Ultimately, our encryption-decryption approach demonstrably overcomes the difficulties of using FSC as a validation measure for XFEL-SPI, in spite of FSC's popularity 13,16,[18][19][20][21][22][23][24][25][26][27][28][29] . The data throughput from XFELS will rapidly increase because of higher pulse repetition rates 46 , and more efficient sample injection techniques.…”

Section: Discussionmentioning

confidence: 99%

An encryption–decryption framework to validating single-particle imaging

Zhou

Teo

Ayyer

et al. 2021

Sci Rep

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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.

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Section: Discussionmentioning

confidence: 99%

An encryption–decryption framework to validating single-particle imaging

Zhou

Teo

Ayyer

et al. 2021

Sci Rep

View full text Add to dashboard Cite

show abstract

“…Ultimately, our encryption-decryption approach demonstrably overcomes the difficulties of using FSC as a validation measure for XFEL-SPI, in spite of FSC's popularity [18,19,14,20,21,22,23,24,25,26,27,28,29,30]. The data throughput from XFELS will rapidly increase because of higher pulse repetition rates [47], and more efficient sample injection techniques.…”

Section: Discussionmentioning

confidence: 99%

“…This inference is challenging for small macromolecules that produce weak diffraction patterns. In these cases, the Fourier Shell Correlation (FSC) [1], which is typically used to validate 3D structures recovered using cryo-electron microscopy, has become increasingly popular for estimating spatial resolution [18,19,14,20,21,22,23,24,25,26,27,28,29,30].…”

Section: Introductionmentioning

confidence: 99%

An encryption-decryption framework for validating single-particle imaging

Zhou¹,

Teo²,

Ayyer³

et al. 2020

Preprint

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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 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 framework overcomes critical ambiguities in using Fourier Shell Correlation (FSC)[1] 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.

show abstract