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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

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

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

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

Because of their high photon flux, X-ray free-electron lasers (FEL) allow to resolve the structure of individual nanoparticles via coherent diffractive imaging (CDI) within a single X-ray pulse. Since the inevitable rapid destruction of the…

Delivering sub-micrometer particles to an intense x-ray focus is a crucial aspect of single-particle diffractive-imaging experiments at x-ray free-electron lasers. Enabling direct visualization of sub-micrometer aerosol particle streams…

The mode of action of proteins is to a large extent given by their ability to adopt different conformations. This is why imaging single biomolecules at atomic resolution is one of the ultimate goals of biophysics and structural biology. The…

Biological Physics · Physics 2012-09-27 Jean-Nicolas Longchamp , Tatiana Latychevskaia , Conrad Escher , Hans-Werner Fink

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

The resolution of X-ray diffraction microscopy is limited by the maximum dose that can be delivered prior to sample damage. In the proposed Serial Crystallography method, the damage problem is addressed by distributing the total dose over…

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 Particle Imaging techniques at X-ray lasers have made significant strides, yet the challenge of determining the orientation of freely rotating molecules during delivery remains. In this study, we propose a novel method to partially…

Chemical Physics · Physics 2025-10-27 Tomas André , Emiliano De Santis , Nicusor Timneanu , Carl Caleman

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

The current state of the art in structural biology is led by NMR, X-ray crystallography and TEM investigations. These powerful tools however all rely on averaging over a large ensemble of molecules. Here, we present an alternative concept…

Atomic and Molecular Clusters · Physics 2015-12-15 Tatiana Latychevskaia , Jean-Nicolas Longchamp , Conrad Escher , Hans-Werner Fink

Using a quantum electrodynamic framework, we calculate the off-resonant scattering of a broad-band X-ray pulse from a sample initially prepared in an arbitrary superposition of electronic states. The signal consists of single-particle…

Chemical Physics · Physics 2015-06-19 Kochise Bennett , Jason D. Biggs , Yu Zhang , Konstantin E. Dorfman , Shaul Mukamel

The Single Particles, Clusters and Biomolecules (SPB) instrument at the European XFEL is located behind the SASE1 undulator, and aims to support imaging and structure determination of biological specimen between about 0.1 micrometer and 1…

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

Modern x-ray free-electron lasers (XFELs) produce x-ray pulses of exceptional transverse coherence. This is due largely to the process of optical guiding by which the radiation is both refractively guided by the bunched electron beam and…

Accelerator Physics · Physics 2021-04-20 River R. Robles , Gabriel Marcus , Zhirong Huang

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

Crystalline materials used in technological applications are often complex assemblies composed of multiple phases and differently oriented grains. Robust identification of the phases and orientation relationships from these samples is…