The linac coherent light source single particle imaging road map

Aquila, Andrew; Barty, Anton; Bostedt, Christoph; Boutet, Sébastien; Carini, G.; DePonte, Daniel P.; Drell, P. S.; Doniach, Sebastian; Downing, Kenneth H.; Earnest, Thomas; Elmlund, Hans; Elser, Veit; Gühr, Markus; Hajdu, János; Hastings, J. B.; Hau‐Riege, Stefan P.; Huang, Zhirong; Lattman, Eaton E.; Maia, Filipe R. N. C.; Marchesini, Stefano; Ourmazd, A.; Pellegrini, C.; Santra, Robin; Schlichting, Ilme; Schroer, Christian G.; Spence, John C. H.; Vartanyants, Ivan A.; Wakatsuki, Soichi; Weis, William I.; Williams, Garth J.

doi:10.1063/1.4918726

Cited by 190 publications

(130 citation statements)

References 26 publications

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“…We will focus on the response over an interesting range of fluences, x-ray photon energies, and particle sizes identified in the single particle imaging initiative [30].…”

Section: Resultsmentioning

confidence: 99%

“…Not surprisingly, the progress toward noncrystalline single particle 3D imaging has been less rapid [30]. The loss of the N 2 enhancement in coherent elastic scattering inherent to a crystal with N unit cells, magnifies the impact of * pho@anl.gov photon backgrounds arising from incoherent and free electron scattering and places a stricter requirement on understanding the nature of electronic damage [31][32][33][34][35].…”

Section: Introductionmentioning

confidence: 99%

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Atomistic three-dimensional coherent x-ray imaging of nonbiological systems

Knight

Tegze

et al. 2016

Phys. Rev. A

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We computationally study the resolution limits for three-dimensional coherent x-ray diffractive imaging of heavy, nonbiological systems using Ar clusters as a prototype. We treat electronic and nuclear dynamics on an equal footing and remove the frozen-lattice approximation often used in electronic damage studies. We explore the achievable resolution as a function of pulse parameters (fluence level, pulse duration, and photon energy) and particle size. The contribution of combined lattice and electron dynamics is not negligible even for 2 fs pulses, and the Compton scattering is less deleterious than in biological systems for atomic-scale imaging. Although free-electron scattering represents a significant background, we find that recovery of the original structure is in principle possible with 3Å resolution for particles of 11 nm diameter.

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“…We will focus on the response over an interesting range of fluences, x-ray photon energies, and particle sizes identified in the single particle imaging initiative [30].…”

Section: Resultsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Atomistic three-dimensional coherent x-ray imaging of nonbiological systems

Knight

Tegze

et al. 2016

Phys. Rev. A

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“…Single-particle imaging with X-ray lasers 3D single-particle imaging with X-ray free-electron lasers (XFELs) is being actively pursued for its potential biological applications, which notably include determining the structures of single molecules [1]. It is also one of the most challenging goals in X-ray laser science, because each diffraction measurement provides a very weak signal and is destructive.…”

Section: Introductionmentioning

confidence: 99%

Expansion-maximization-compression algorithm with spherical harmonics for single particle imaging with x-ray lasers

et al. 2016

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In 3D single particle imaging with X-ray free-electron lasers, particle orientation is not recorded during measurement but is instead recovered as a necessary step in the reconstruction of a 3D image from the diffraction data. Here we use harmonic analysis on the sphere to cleanly separate the angular and radial degrees of freedom of this problem, providing new opportunities to efficiently use data and computational resources. We develop the Expansion-Maximization-Compression algorithm into a shell-by-shell approach and implement an angular bandwidth limit that can be gradually raised during the reconstruction. We study the minimum number of patterns and minimum rotation sampling required for a desired angular and radial resolution. These extensions provide new avenues to improve computational efficiency and speed of convergence, which are critically important considering the very large datasets expected from experiment.

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“…Of particular interest is the atomic wavelength regime, e.g., from a fraction of a nanometer down to tenths of an angstrom, where the applications [1][2][3] typically require the radiation power in the terawatt (TW) range.…”

Section: Introductionmentioning

confidence: 99%

Sideband instability analysis based on a one-dimensional high-gain free electron laser model

Tsai¹,

Wu²,

Yang³

et al. 2017

Phys. Rev. Accel. Beams

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When an untapered high-gain free electron laser (FEL) reaches saturation, the exponential growth ceases and the radiation power starts to oscillate about an equilibrium. The FEL radiation power or efficiency can be increased by undulator tapering. For a high-gain tapered FEL, although the power is enhanced after the first saturation, it is known that there is a so-called second saturation where the FEL power growth stops even with a tapered undulator system. The sideband instability is one of the primary reasons leading to this second saturation. In this paper, we provide a quantitative analysis on how the gradient of undulator tapering can mitigate the sideband growth. The study is carried out semianalytically and compared with one-dimensional numerical simulations. The physical parameters are taken from Linac Coherent Light Source-like electron bunch and undulator systems. The sideband field gain and the evolution of the radiation spectra for different gradients of undulator tapering are examined. It is found that a strong undulator tapering (∼10%) provides effective suppression of the sideband instability in the postsaturation regime.

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The linac coherent light source single particle imaging road map

Cited by 190 publications

References 26 publications

Atomistic three-dimensional coherent x-ray imaging of nonbiological systems

Atomistic three-dimensional coherent x-ray imaging of nonbiological systems

Expansion-maximization-compression algorithm with spherical harmonics for single particle imaging with x-ray lasers

Sideband instability analysis based on a one-dimensional high-gain free electron laser model

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