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Single particle diffraction imaging experiments at free-electron lasers (FEL) have a great potential for structure determination of reproducible biological specimens that can not be crystallized. One of the challenges in processing the data…

Biological Physics · Physics 2013-10-16 O. M. Yefanov , I. A. Vartanyants

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

Proposals to determine biomolecular structures from diffraction experiments using femtosecond X-ray free-electron laser (XFEL) pulses involve a conflict between the incident brightness required to achieve diffraction-limited atomic…

Optics · Physics 2015-05-19 Harry M. Quiney , Keith A. Nugent

The short pulses of X-ray free electron lasers can produce diffraction patterns with structural information before radiation damage destroys the particle. The particles are injected into the beam in random orientations and they should be…

Data Analysis, Statistics and Probability · Physics 2013-07-31 Miklós Tegze , Gábor Bortel

The advent of the X-ray Free Electron Laser (XFEL) has made it possible to record diffraction snapshots of biological entities injected into the X-ray beam before the onset of radiation damage. Algorithmic means must then be used to…

Biological Physics · Physics 2014-04-30 A. Hosseinizadeh , P. Schwander , A. Dashti , R. Fung , R. M. D'Souza , 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

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

Single molecule X-ray scattering experiments using free electron lasers hold the potential to resolve both single structures and structural ensembles of biomolecules. However, molecular electron density determination has so far not been…

Computational Physics · Physics 2026-04-17 Steffen Schultze , Helmut Grubmüller

There are many instances when the structure of a weakly-scattering spinning object in flight must be determined to high resolution. Examples range from comets to nanoparticles and single molecules. The latter two instances are the subject…

Biological Physics · Physics 2008-06-17 Russell Fung , Valentin Shneerson , Dilano K. Saldin , Abbas Ourmazd

Modern technology for producing extremely bright and coherent X-ray laser pulses provides the possibility to acquire a large number of diffraction patterns from individual biological nanoparticles, including proteins, viruses, and DNA.…

Methodology · Statistics 2018-07-11 Stefan Engblom , Carl Nettelblad , Jing Liu

X-ray free-electron lasers (XFELs) offer unique capabilities for measuring the structure and dynamics of biomolecules, helping us understand the basic building blocks of life. Notably, high-repetition-rate XFELs enable single particle…

Computer Vision and Pattern Recognition · Computer Science 2023-12-25 Jay Shenoy , Axel Levy , Frédéric Poitevin , Gordon Wetzstein

The advent of the X-ray Free Electron Laser (XFEL) has made it possible to record snapshots of biological entities injected into the X-ray beam before the onset of radiation damage. Algorithmic means must then be used to determine the…

Biological Physics · Physics 2013-04-01 A. Hosseinizadeh , P. Schwander , A. Dashti , R. Fung , R. M. D'Souza , A. Ourmazd

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

Single particle imaging (SPI) at X-ray free electron lasers (XFELs) is a technique to determine the 3D structure of nanoscale objects like biomolecules from a large number of diffraction patterns of copies of these objects in random…

Image and Video Processing · Electrical Eng. & Systems 2022-10-20 Abhishek Mall , Kartik Ayyer

We present a theoretical justification for a method of extracting of supplementary information for the phase retrieval procedure taken from diffraction of fs-pulses from X-ray Free Electron Laser facilities. The approach is based on…

Materials Science · Physics 2015-02-18 A. Leonov , D. Ksenzov , A. Benediktovitch , I. Feranchuk , U. Pietsch

The short and intense pulses of the new X-ray free electron lasers, now operational or under construction, may make possible diffraction experiments on single molecule-sized objects with high resolution, before radiation damage destroys the…

Data Analysis, Statistics and Probability · Physics 2012-04-11 Miklós Tegze , Gábor Bortel

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

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…

The structure and dynamics of isolated nanosamples in free flight can be directly visualized via single-shot coherent diffractive imaging using the intense and short pulses of X-ray free-electron lasers. Wide-angle scattering images even…

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