Related papers: XrdML, a new way to store (and exchange) X-ray pow…

X-ray detected ferromagnetic resonance (XFMR) spectroscopy is an experimental technique for element-specific spin dynamics in the GHz regime and has been utilized to study spintronic materials. The XFMR signal is usually obtained by…

Investment in brighter sources and larger detectors has resulted in an explosive rise in the data collected at synchrotron facilities. Currently, human experts extract scientific information from these data, but they cannot keep pace with…

We applied the clustering technique using DTW (dynamic time wrapping) analysis to XRD (X-ray diffraction) spectrum patterns in order to identify the microscopic structures of substituents introduced in the main phase of magnetic alloys. The…

OpenML is an online machine learning platform where researchers can easily share data, machine learning tasks and experiments as well as organize them online to work and collaborate more efficiently. In this paper, we present an R package…

X-ray magnetic circular dichroism (XMCD) has become an important and powerful tool because it allows the study of material properties in combination with elemental specificity, chemical state specificity, and magnetic specificity. A new…

X-ray polarimetry promises to give qualitatively new information about high-energy sources. Examples of interesting source classes are binary black hole systems, rotation and accretion powered neutron stars, Microquasars, Active Galactic…

PDFgetX3 is a new software application for converting X-ray powder diffraction data to atomic pair distribution function (PDF). PDFgetX3 has been designed for ease of use, speed and automated operation. The software can readily process…

Amorphous, glass, and glass-ceramic materials practically always include a significant number (more than eight) of crystalline phases, with the contents of the latter ranging from a few wt.% to several hundredths or tenths of wt.%. The…

XML transactions are used in many information systems to store data and interact with other systems. Abnormal transactions, the result of either an on-going cyber attack or the actions of a benign user, can potentially harm the interacting…

Machine learning (ML) is used for many earth science applications; however, traditional ML methods trained with squared errors often create blurry forecasts. Diffusion models are an emerging generative ML technique with the ability to…

Machine learning algorithms based on artificial neural networks have proven very useful for a variety of classification problems. Here we apply them to a well-known problem in crystallography, namely the classification of X-ray diffraction…

Understanding the grain morphology, orientation distribution, and crystal structure of nanocrystals is essential for optimizing the mechanical and physical properties of functional materials. Synchrotron X-ray Laue microdiffraction is a…

Spectra of parametric X-ray radiation (PXR) are considered in the range of anomalous dispersion for one of the atoms in a crystal elementary cell. The PXR spectra are calculated both for the ultra-relativistic and non-relativistic electrons…

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…

The continually increasing number of complex datasets each year necessitates ever improving machine learning methods for robust and accurate categorization of these data. This paper introduces Random Multimodel Deep Learning (RMDL): a new…

Manual analysis of XRD data is usually laborious and time consuming. The deep neural network (DNN) based models trained by synthetic XRD patterns are proved to be an automatic, accurate, and high throughput method to analysis common XRD…

We propose a new file format named "H5MD" for storing molecular simulation data, such as trajectories of particle positions and velocities, along with thermodynamic observables that are monitored during the course of the simulation. H5MD…

Deposits which form during the pneumatic transport of particles are a frequent source of explosions in industrial facilities. Thus, to contribute to the operational safety of industrial plants, we explore the deposit formation of powder…

Grazing incidence X-ray diffraction (GIXD) is widely used for the structural characterization of thin films, particularly for analyzing phase composition and the orientation distribution of crystallites. While various tools exist for…

Concerning NMR-based metabolomics, 1D spectra processing often requires an expert eye for disentangling the intertwined peaks, and so far the best way is to proceed interactively with a spectra viewer. NMRProcFlow is a graphical and…