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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…

凝聚态物理 · 物理学 2007-05-23 Veit Elser

Coherent X-ray photons with energies higher than 50 keV offer new possibilities for imaging nanoscale lattice distortions in bulk crystalline materials using Bragg peak phase retrieval methods. However, the compression of reciprocal space…

High-energy physics detectors, images, and point clouds share many similarities in terms of object detection. However, while detecting an unknown number of objects in an image is well established in computer vision, even machine learning…

数据分析、统计与概率 · 物理学 2020-09-29 Jan Kieseler

We present a reconstruction technique for simultaneous retrieval of absorption and phase shifting properties of an object recorded by in-line holography. The routine is experimentally tested by applying it to optical holograms of a pure…

光学 · 物理学 2010-10-28 Tatiana Latychevskaia , Hans-Werner Fink

We explore whether medium-resolution stellar spectra can be reconstructed from photometric observations, taking advantage of the highly compressible nature of the spectra. We formulate the spectral reconstruction as a least-squares problem…

太阳与恒星天体物理 · 物理学 2015-05-19 A. Asensio Ramos , C. Allende Prieto

Single-particle electron cryomicroscopy (cryo-EM) is an increasingly popular technique for elucidating the three-dimensional structure of proteins and other biologically significant complexes at near-atomic resolution. It is an imaging…

计算物理 · 物理学 2020-04-01 Amit Singer , Fred J. Sigworth

Speckle noise is an inherent disturbance in coherent imaging systems such as digital holography, synthetic aperture radar, optical coherence tomography, or ultrasound systems. These systems usually produce only single observation per view…

图像与视频处理 · 电气工程与系统科学 2022-05-19 Tsung-Ming Tai , Yun-Jie Jhang , Wen-Jyi Hwang , Chau-Jern Cheng

The three-dimensional structure of proteins plays a crucial role in determining their function. Protein structure prediction methods, like AlphaFold, offer rapid access to a protein structure. However, large protein complexes cannot be…

生物大分子 · 定量生物学 2025-03-05 Gabriel Ducrocq , Lukas Grunewald , Sebastian Westenhoff , Fredrik Lindsten

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…

原子与分子团簇 · 物理学 2015-12-15 Tatiana Latychevskaia , Jean-Nicolas Longchamp , Conrad Escher , Hans-Werner Fink

Single-particle cryo-electron microscopy (cryo-EM) has recently joined X-ray crystallography and NMR spectroscopy as a high-resolution structural method to resolve biological macromolecules. In a cryo-EM experiment, the microscope produces…

信息论 · 计算机科学 2022-10-28 Tamir Bendory , Nicolas Boumal , William Leeb , Eitan Levin , Amit Singer

Single-crystal X-ray diffraction (SC-XRD) is the gold standard technique to characterize crystal structures in solid state. Despite significant advances in automation for structure solution, the refinement stage still depends heavily on…

材料科学 · 物理学 2025-12-04 Wen-Lin Luo , Yi Yuan , Cheng-Hui Li , Yue Zhao , Jing-Lin Zuo

Electron diffraction through a thin patterned silicon membrane can be used to create complex spatial modulations in electron distributions by varying the intensity of different reflections using parameters such as crystallographic…

加速器物理 · 物理学 2019-05-30 L. E. Malin , W. S. Graves , M. Holl , J. C. H. Spence , E. A. Nanni , R. K. Li , X. Shen , S. Weathersby

Compressed sensing is triggering a major evolution in signal acquisition. It consists in sampling a sparse signal at low rate and later using computational power for its exact reconstruction, so that only the necessary information is…

统计力学 · 物理学 2012-06-07 Florent Krzakala , Marc Mézard , François Sausset , Yifan Sun , Lenka Zdeborová

This paper addresses the deconvolution problem of estimating a square-integrable probability density from observations contaminated with additive measurement errors having a known density. The estimator begins with a density estimate of the…

统计理论 · 数学 2023-04-12 David Kent , David Ruppert

Photoelectron diffraction (PED) is a powerful spectroscopic technique that combines elemental resolution with a high sensitivity to the local atomic arrangement at crystal surfaces, thus providing unique fingerprints of selected atomic…

Constructing a quantum description of crystals from scattering experiments is of paramount importance to explain their macroscopic properties and to evaluate the pertinence of theoretical ab-initio models. While reconstruction methods of…

材料科学 · 物理学 2019-04-19 Benjamin De Bruyne , Jean-Michel Gillet

Super-resolution techniques overcome the diffraction-limit and get very high resolutions. A category of these techniques, e.g., STED achieves this by creating an illumination spot smaller than the Airy Disk. As a result, points are…

图像与视频处理 · 电气工程与系统科学 2019-11-20 Yaohua Xie

The core theme of X-ray crystallography is reconstructing the electron density distribution of crystals under the constraints of observed diffraction data. Nevertheless, the reconstruction of electron density distribution by straightforward…

材料科学 · 物理学 2015-07-14 Hui Li , Meng He , Ze Zhang

Scanning precession electron diffraction (SPED) is a powerful technique for investigating strain. While extensive literature exists analysing strain under high convergence angle conditions there are few systematic studies describing work…

Determining the three-dimensional structure of proteins and protein complexes at atomic resolution is a fundamental task in structural biology. Over the last decade, remarkable progress has been made using "single particle" cryo-electron…

数值分析 · 数学 2017-06-05 Alex Barnett , Leslie Greengard , Andras Pataki , Marina Spivak