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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

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

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

Imaging the structure and observing the dynamics of isolated proteins using single-particle X-ray diffractive imaging (SPI) is one of the potential applications of X-ray free-electron lasers (XFELs). Currently, SPI experiments on isolated…

In single particle coherent x-ray diffraction imaging experiments, performed at x-ray free-electron lasers (XFELs), samples are exposed to intense x-ray pulses to obtain single-shot diffraction patterns. The high intensity induces…

Atomic and Molecular Clusters · Physics 2013-01-29 U. Lorenz , N. M. Kabachnik , E. Weckert , I. A. Vartanyants

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

A well-characterised wavefront is important for many X-ray free-electron laser (XFEL) experiments, especially for single-particle imaging (SPI), where individual bio-molecules randomly sample a nanometer-region of highly-focused femtosecond…

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

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…

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

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

Structure determination is a key application of XFELs and 4th generation synchrotron sources, particularly using the coherent and pulsed X-ray radiation from X-ray free-electron lasers (XFEL). Scientific interest focuses on understanding…

Instrumentation and Detectors · Physics 2025-03-07 Markus Kuster , Robert Hartmann , Steffen Hauf , Peter Holl , Tonn Rüter , Lothar Strüder

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

Imaging of the structure of single proteins or other biomolecules with atomic resolution would be enormously beneficial to structural biology. X-ray free-electron lasers generate highly intense and ultrashort x-ray pulses, providing a route…

Atomic Physics · Physics 2014-07-30 Jan Malte Slowik , Sang-Kil Son , Gopal Dixit , Zoltan Jurek , Robin Santra

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

The routine atomic-resolution structure determination of single particles is expected to have profound implications for probing the structure-function relationship in systems ranging from energy materials to biological molecules.…

An improved analysis for single particle imaging (SPI) experiments, using the limited data, is presented here. Results are based on a study of bacteriophage PR772 performed at the AMO instrument at the Linac Coherent Light Source (LCLS) as…

With X-ray free-electron lasers (XFELs), it is possible to determine the three-dimensional structure of noncrystalline nanoscale particles using X-ray single-particle imaging (SPI) techniques at room temperature. Classifying SPI scattering…

Machine Learning · Computer Science 2023-02-15 Cong Wang , Eric Florin , Hsing-Yin Chang , Jana Thayer , Chun Hong Yoon

Revealing the structure of complex biological macromolecules, such as proteins, is an essential step for understanding the chemical mechanisms that determine the diversity of their functions. Synchrotron based x-ray crystallography and…

Serial femtosecond X-ray crystallography (SFX) captures the structure and dynamics of biological macromolecules at high spatial and temporal resolutions. The ultrashort pulse produced by an X-ray free electron laser (XFEL) 'outruns' much of…

Plasma Physics · Physics 2025-06-03 Spencer K. Passmore , Alaric L. Sanders , Andrew V. Martin , Harry M. Quiney
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