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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…

We have developed x-ray diffraction measurements with high energy-resolution and accuracy to study water structure at three different temperatures (7, 25 and 66 C) under normal pressure. Using a spherically curved Ge crystal an energy…

Soft Condensed Matter · Physics 2017-09-13 Congcong Huang , K. T. Wikfeldt , D. Nordlund , U. Bergmann , T. McQueen , J. Sellberg , L. G. M. Pettersson , A. Nilsson

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…

When subjected to monochromatic incident light a nanoparticle will emit light which then interferes with the incident beam. With sufficient contrast and sufficiently close to the particle this interference pattern may be recorded with a…

Optics · Physics 2019-02-26 T. G. Myers , H. Ribera , W. S. Bacsa

An algorithm for determining crystal structures from diffraction data is described which does not rely on the usual Fourier-space formulations of atomicity. The new algorithm implements atomicity constraints in real-space, as well as…

Condensed Matter · Physics 2007-05-23 Veit Elser

Single particle cryo-electron microscopy is a vital tool for 3D characterization of protein structures. A typical workflow involves acquiring projection images of a collection of randomly oriented particles, picking and classifying…

Image and Video Processing · Electrical Eng. & Systems 2021-03-22 S. V. Venkatakrishnan , Puneet Juneja , Hugh O'Neill

A new reference design is introduced for holographic coherent diffraction imaging. This consists in two references - "block" and "pinhole" shaped regions - placed adjacent to the imaging specimen. An efficient recovery algorithm is provided…

Image and Video Processing · Electrical Eng. & Systems 2019-06-27 David A. Barmherzig , Ju Sun , Emmanuel J. Candès , T. J. Lane , Po-Nan Li

Single-molecule detection enables direct observation of individual biomolecular events, providing mechanistic insights into biological processes and offering a powerful tool for disease diagnostics. However, the fundamental scale mismatch…

Optics · Physics 2025-10-14 Guifeng Li , Chaoyang Gong

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

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

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…

Established x-ray diffraction methods allow for high-resolution structure determination of crystals, crystallized protein structures or even single molecules. While these techniques rely on coherent scattering, incoherent processes like…

We demonstrate near-atomic-resolution Bragg diffraction from aerosolized single granulovirus crystals using an x-ray free-electron laser. The form of the aerosol injector is nearly identical to conventional liquid-microjet nozzles, but the…

Accurate grain orientation mapping is essential for understanding and optimizing the performance of polycrystalline materials, particularly in energy-related applications. Lithium nickel oxide (LiNiO$_{2}$) is a promising cathode material…

Disordered Systems and Neural Networks · Physics 2025-11-26 Sebastian Wissel , Jonas Scheunert , Aaron Dextre , Shamail Ahmed , Andreas Bayer , Kerstin Volz , Bai-Xiang Xu

We show that diffraction intensity into the First Order Laue Zone (FOLZ) of a crystal can have a strong azimuthal dependence, where this FOLZ ring appears solely because of unidirectional atom position modulation. Such a modulation was…

Materials Science · Physics 2023-10-03 Aurys Silinga , Christopher S. Allen , Juri Barthel , Colin Ophus , Ian MacLaren

Coherent diffraction imaging is a high-resolution imaging technique whose potential can be greatly enhanced by applying the extrapolation method presented here. We demonstrate enhancement in resolution of a non-periodical object…

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

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 accuracy of the information that can be extracted from electron diffraction patterns is often limited by the presence of optical distortions. Existing distortion characterization techniques typically require knowledge of the reciprocal…