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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 (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

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 particle imaging (SPI) at X-ray free electron lasers (XFELs) is particularly well suited to determine the 3D structure of particles in their native environment. For a successful reconstruction, diffraction patterns originating from a…

Data Analysis, Statistics and Probability · Physics 2021-12-17 Dameli Assalauova , Alexandr Ignatenko , Fabian Isensee , Sergey Bobkov , Darya Trofimova , Ivan A. Vartanyants

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

Current Flash X-ray single-particle diffraction Imaging (FXI) experiments, which operate on modern X-ray Free Electron Lasers (XFELs), can record millions of interpretable diffraction patterns from individual biomolecules per day. Due to…

Computer Vision and Pattern Recognition · Computer Science 2019-02-20 Jing Liu , Gijs van der Schot , Stefan Engblom

Modern Flash X-ray diffraction Imaging (FXI) acquires diffraction signals from single biomolecules at a high repetition rate from X-ray Free Electron Lasers (XFELs), easily obtaining millions of 2D diffraction patterns from a single…

Image and Video Processing · Electrical Eng. & Systems 2020-10-28 Jing Liu , Stefan Engblom , Carl Nettelblad

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

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

Recovery of three-dimensional structure from single particle X-ray scattering of completely randomly oriented diffraction patterns as predicted few decades back has been real due to the advent of the new emerging X-ray Free Electron Laser…

Soft Condensed Matter · Physics 2015-11-24 M. Uddin

Schemes for X-ray imaging single protein molecules using new x-ray sources, like x-ray free electron lasers (XFELs), require processing many frames of data that are obtained by taking temporally short snapshots of identical molecules, each…

Data Analysis, Statistics and Probability · Physics 2015-06-17 Kartik Ayyer , Hugh T. Philipp , Mark W. Tate , Veit Elser , Sol M. Gruner

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…

Data Analysis, Statistics and Probability · Physics 2020-08-03 Zhou Shen , Colin Zhi Wei Teo , Kartik Ayyer , N. Duane Loh

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

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

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

The advent of X-ray Free Electron Lasers promises the possibility to determine the structure of individual particles such as microcrystallites, viruses and biomolecules from single-shot diffraction snapshots obtained before the particle is…

Soft Condensed Matter · Physics 2010-05-06 Brian Moths , Abbas 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 biomolecular imaging using XFEL radiation is an emerging method for protein structure determination using the "diffraction before destruction" method at near atomic resolution. Crucial parameters for such bio-imaging experiments are…

The Linac Coherent Light Source (LCLS) is an X- ray free electron laser (XFEL) facility enabling the study of the structure and dynamics of single macromolecules. A major upgrade will bring the repetition rate of the X-ray source from 120…

Computational Physics · Physics 2021-09-14 Hsing-Yin Chang , Elliott Slaughter , Seema Mirchandaney , Jeffrey Donatelli , Chun Hong Yoon

Understanding complex biological macromolecules, especially proteins, is vital for grasping their diverse chemical functions with direct impact in biology and pharmacology. While techniques like X-ray crystallography and cryo-electron…

Biomolecules · Quantitative Biology 2024-04-12 S. H. Mejias , A. L. Cortajarena , R. Mincigrucci , C. Svetina , C. Masciovecchio
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