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We demonstrate the structural sensitivity and accuracy of the standing wave technique at a high repetition rate free-electron laser, FLASH at DESY in Hamburg, by measuring the photoelectron yield from the surface SiO2 of Mo/Si multilayers.…

X-ray single particle imaging (SPI) has offered the potential to visualize structures of biomolecules at near-atomic resolution. However, state-of-the-art structures at X-ray free electron lasers (XFELs) are limited to moderate resolution,…

Optics · Physics 2025-08-12 Abhishek Mall , Zhou Shen , Kartik Ayyer

Small-angle scattering (SAS) is a key experimental technique for analyzing nano-scale structures in various materials.In SAS data analysis, selecting an appropriate mathematical model for the scattering intensity is critical, as it…

Data Analysis, Statistics and Probability · Physics 2024-01-22 Yui Hayashi , Shun Katakami , Shigeo Kuwamoto , Kenji Nagata , Masaichiro Mizumaki , Masato Okada

Emerging coherent X-ray scattering patterns of single particles have shown dominant morphological signatures in agreement with predictions of the scattering model used for conventional protein crystallography. The key question is if and to…

Biomolecules · Quantitative Biology 2014-07-28 Aliakbar Jafarpour

By analyzing ``exact'' theoretical results from solving the time-dependent Schr\"odinger equation of atoms in few-cycle laser pulses, we established the general conclusion that differential elastic scattering and photo-recombination cross…

Atomic Physics · Physics 2008-04-04 Toru Morishita , Anh-Thu Le , Zhangjin Chen , C. D. Lin

A new scheme based on (i) upcoming brilliant X-ray Free Electron Laser (FEL) sources, (ii) novel energy and angular dispersive, large-area electron imagers and (iii) the well-known photoelectron holography is elaborated that provides…

Atomic Physics · Physics 2015-05-14 F. Krasniqi , B. Najjari , L. Strüder , D. Rolles , A. Voitkiv , J. Ullrich

X-ray Free Electron Lasers (XFEL) are revolutionary photons sources, whose ultrashort, brilliant pulses are expected to allow single molecule diffraction experiments providing structural information on the atomic length scale. This ultimate…

Optics · Physics 2015-05-20 Andrea Fratalocchi , Giancarlo Ruocco

Considerable inroads have recently been made on algorithms to determine the sample potential from four-dimensional scanning transmission electron microscopy data from thick samples where multiple scattering cannot be neglected. This paper…

Proteins are dynamic, adopting ensembles of conformations. The nature of this conformational heterogenity is imprinted in the raw electron density measurements obtained from X-ray crystallography experiments. Fitting an ensemble of protein…

Quantitative Methods · Quantitative Biology 2024-12-19 Sai Advaith Maddipatla , Nadav Bojan Sellam , Sanketh Vedula , Ailie Marx , Alex Bronstein

Single-particle small-angle X-ray scattering (SP-SAXS) enables quantitative morphological analysis by recording diffraction snapshots from isolated particles using X-ray free-electron laser (XFEL) pulses. Unlike conventional X-ray…

Uncertainty quantification for image data is dominated by complex deep learning methods, yet the field lacks an interpretable, mathematically grounded baseline. We propose Bayesian scattering to fill this gap, serving as a first-step…

Machine Learning · Computer Science 2026-03-24 Bernardo Fichera , Zarko Ivkovic , Kjell Jorner , Philipp Hennig , Viacheslav Borovitskiy

X-ray scattering is a weak linear probe of matter. It is primarily sensitive to the position of electrons and their momentum distribution. Elastic X-ray scattering forms the basis of atomic structural determination while inelastic Compton…

Wide-angle x-ray scattering (WAXS) is emerging as a powerful tool for increasing the resolution of solution structure measurements of biomolecules. Compared to its better known complement, small angle x-ray scattering (SAXS), WAXS targets…

We describe a new generation of algorithms capable of mapping the structure and conformations of macromolecules and their complexes from large ensembles of heterogeneous snapshots, and demonstrate the feasibility of determining both…

Biological Physics · Physics 2014-04-30 P. Schwander , R. Fung , A. Ourmazd

The development of X-ray Free Electron Lasers (XFELs) has opened numerous opportunities to probe atomic structure and ultrafast dynamics of various materials. Single Particle Imaging (SPI) with XFELs enables the investigation of biological…

Computer Vision and Pattern Recognition · Computer Science 2023-11-29 Zhantao Chen , Cong Wang , Mingye Gao , Chun Hong Yoon , Jana B. Thayer , Joshua J. Turner

The mode of action of proteins is to a large extent given by their ability to adopt different conformations. This is why imaging single biomolecules at atomic resolution is one of the ultimate goals of biophysics and structural biology. The…

Biological Physics · Physics 2012-09-27 Jean-Nicolas Longchamp , Tatiana Latychevskaia , Conrad Escher , Hans-Werner Fink

Since Perutz, Kendrew and colleagues unveiled the structure of hemoglobin and myoglobin based on X-ray diffraction analysis in the 1950s, X-ray crystallography has become the primary methodology used to determine the 3D structure of…

We show that the symmetries of image formation by scattering enable graph-theoretic manifold-embedding techniques to extract structural and timing information from simulated and experimental snapshots at extremely low signal. The approach…

Computational Physics · Physics 2011-09-27 Peter Schwander , Chun Hong Yoon , Abbas Ourmazd , Dimitrios Giannakis

A scheme for analyzing Thomson scattering of x-rays by warm dense matter, based on the average-atom model, is developed. Emphasis is given to x-ray scattering by bound electrons. Contributions to the scattered x-ray spectrum from elastic…

Plasma Physics · Physics 2012-11-02 W. R. Johnson , J. Nilsen , K. T. Cheng