Related papers: Structure determination from single-molecule X-ray…
Wide-angle x-ray scattering (WAXS) is emerging as a powerful tool for increasing the resolution of solution structure measurements of biomolecules. Compared to its better known complement, small angle x-ray scattering (SAXS), WAXS targets…
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…
The progress of miniaturisation in integrated electronics has led to atomic and nanometre-sized dopant devices in silicon. Such structures can be fabricated routinely by hydrogen resist lithography, using various dopants such as phosphorous…
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…
The first experimental data from single-particle scattering experiments from free electron lasers (FELs) are now becoming available. The first such experiments are being performed on relatively large objects such as viruses, which produce…
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…
Advances in our ability to understand and utilize the world around us have always relied on the development of advanced tools for probing and manipulating materials properties. X-ray matter interactions played a critical role in the…
The ingenious idea of single molecule imaging by hard x-ray Free Electron Laser (X-FEL) pulses was recently proposed by Neutze et al. [Nature,406,752(2000)]. However, in their numerical modelling of the Coulomb explosion several…
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…
In the context of assessing and characterizing structures in X-ray images, we compare different approaches. Most often the intensity level is very low and necessitates a special treatment of Poisson statistics. The method based on wavelet…
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…
We develop a variational optimization method for crystal analysis in atomic resolution images, which uses information from a 2D synchrosqueezed transform (SST) as input. The synchrosqueezed transform is applied to extract initial…
X-ray scattering is a weak linear probe of matter. It is primarily sensitive to the position of electrons and their momentum distribution. Elastic X-ray scattering forms the basis of atomic structural determination while inelastic Compton…
We present a new technique for determining the *quantity and composition* of dust in astrophysical environments using <6keV X-rays. We argue that high resolution X-ray spectra as enabled by the Chandra and XMM-Newton gratings should be…
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…
Consistently predicting biopolymer structure at atomic resolution from sequence alone remains a difficult problem, even for small sub-segments of large proteins. Such loop prediction challenges, which arise frequently in comparative…
Theory predicts that with an ultrashort and extremely bright coherent X-ray pulse, a single diffraction pattern may be recorded from a large macromolecule, a virus, or a cell before the sample explodes and turns into a plasma. Here we…
In this paper we propose a new method for measurements of the longitudinal profile of 100 femtosecond electron bunches for X-ray Free Electron Lasers (XFELs). The method is simply the combination of two well-known techniques, which where…
Experimentally obtained X-ray diffraction (XRD) patterns can be difficult to solve, precluding the full characterization of materials, pharmaceuticals, and geological compounds. Herein, we propose a method based upon a multi-objective…
Free-electron laser hard X-ray light sources can provide high fluence, femtosecond pulses, enabling the time-resolved probing of structural dynamics and elementary relaxation processes in molecules. Traditional X-ray elastic scattering from…