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The ability to determine the structure of matter in three dimensions has profoundly advanced our understanding of nature. Traditionally, the most widely used schemes for 3D structure determination of an object are implemented by acquiring…

X-ray single particle imaging involves the measurement of a large number of noisy diffraction patterns of isolated objects in random orientations. The missing information about these patterns is then computationally recovered in order to…

Image and Video Processing · Electrical Eng. & Systems 2020-05-25 Kartik Ayyer

The structures, as building-blocks for designing functional nanomaterials, have fueled the development of versatile nanoprobes to understand local structures of noncrystalline specimens. Progresses in analyzing structures of individual…

A modulated icosahedral shell with an inclusion is a concise description of many viruses, including recently-discovered large double-stranded DNA ones. Many X-ray scattering patterns of such viruses show major polygonal fringes, which can…

Biological Physics · Physics 2014-08-08 Aliakbar Jafarpour

Molecular and polymeric crystals show a wide range of functional properties that arise from the interplay between the atomic-scale structure of their constituent molecules and the organization of these molecules within the crystal lattice…

Single-particle imaging experiments of biomolecules at x-ray free-electron lasers (XFELs) require processing of hundreds of thousands (or more) of images that contain very few x-rays. Each low-flux image of the diffraction pattern is…

Instrumentation and Detectors · Physics 2012-03-16 Hugh T. Philipp , Kartik Ayyer , Mark W. Tate , Veit Elser , Sol M. Gruner

Coherent diffraction imaging (CDI) using synchrotron radiation, X-ray free electron lasers (X-FELs), high harmonic generation, soft X-ray lasers, and optical lasers has found broad applications across several disciplines. An active research…

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

We demonstrate that a common-line method can assemble a 3D oversampled diffracted intensity distribution suitable for high-resolution structure solution from a set of measured 2D diffraction patterns, as proposed in experiments with an…

Biomolecules · Quantitative Biology 2007-10-16 V. L. Shneerson , A. Ourmazd , D. K. Saldin

X-ray crystallography (XC) is an experimental technique used to determine three-dimensional crystalline structures. The acquired data in XC, called diffraction patterns, is the Fourier magnitudes of the unknown crystalline structure. To…

Image and Video Processing · Electrical Eng. & Systems 2019-07-09 Samuel Pinilla , Jorge Bacca , Cesar Vargas , Juan Carlos Poveda-Jaramillo , Henry Arguello

Coherent X-ray diffraction microscopy is a method of imaging non-periodic isolated objects at resolutions only limited, in principle, by the largest scattering angles recorded. We demonstrate X-ray diffraction imaging with high resolution…

Single molecule X-ray scattering experiments with free electron lasers have opened a new route to the structure determination of biomolecules. Because typically only very few photons per scattering image are recorded and thus the…

Computational Physics · Physics 2023-04-17 Steffen Schultze , Helmut Grubmüller

The ingenious idea of single molecule imaging by hard x-ray Free Electron Laser (X-FEL) pulses was recently proposed by Neutze et al. [Nature,406,752(2000)]. However, in their numerical modelling of the Coulomb explosion several…

Condensed Matter · Physics 2009-11-10 Zoltan Jurek , Gabor Oszlanyi , Gyula Faigel

Structural studies of biological macromolecules are severely limited by radiation damage. Traditional crystallography curbs the effects of damage by spreading damage over many copies of the molecule of interest. X-ray lasers, such as the…

Modeling the 3D structures of cells and tissues is crucial in biology. Sequential cross-sectional images from electron microscopy provide high-resolution intracellular structure information. The segmentation of complex cell structures…

Quantitative Methods · Quantitative Biology 2025-02-14 Jin Kousaka , Atsuko H. Iwane , Yuichi Togashi

Single-shot wide-angle diffraction imaging is a widely used method to investigate the structure of non-crystallizing objects such as nanoclusters, large proteins or even viruses. Its main advantage is that information about the…

Data Analysis, Statistics and Probability · Physics 2021-06-02 Thomas Stielow , Stefan Scheel

Coherent diffraction imaging (CDI) allows the retrieval of the structure of an isolated object, such as a macromolecule, from its diffraction pattern. CDI requires the fulfilment of two conditions: the imaging radiation must be coherent and…

Optics · Physics 2018-11-16 Tatiana Latychevskaia , Hans-Werner Fink

Sub-angstrom spatial resolution of electron density coupled with sub-femtosecond temporal resolution is required to directly observe the dynamics of the electronic structure of a molecule after photoinitiation or some other ultrafast…

Conventional X-ray methods use incoming plane waves and result in discrete diffraction patterns when scattered at crystals. Here we find, by a systematic method, incoming waveforms which exhibit discrete diffraction patterns when scattered…

Optics · Physics 2015-06-16 Gero Friesecke , Richard D. James , Dominik Jüstel

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