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Powder X-ray diffraction (pXRD) experiments are a cornerstone for materials structure characterization. Despite their widespread application, analyzing pXRD diffractograms still presents a significant challenge to automation and a…

Data validation is becoming more and more important with the ever-growing amount of data being consumed and transmitted by systems over the Internet. It is important to ensure that the data being sent is valid as it may contain entry…

Databases · Computer Science 2013-11-19 Miklos Kalman , Ferenc Havasi

We propose an XML-based standard for formulation of field theoretical models. The goal of creation of such a standard is to provide a way for an unambiguous exchange and cross-checking of results of computer calculations in high energy…

High Energy Physics - Phenomenology · Physics 2007-05-23 A. Demichev , A. Kryukov , A. Rodionov

X-ray absorption spectroscopy (XAS) is a powerful technique to probe the electronic and structural properties of materials. With the rapid growth in both the volume and complexity of XAS datasets driven by advancements in synchrotron…

Computational Physics · Physics 2025-02-25 Xue Han , Haodong Yao , Fei Zhan , Xueqi Song , Junfang Zhao , Haifeng Zhao

This article presents a high-throughput computer program, called EasyDD, for batch processing, analyzing and visualizing of spectral data; particularly those related to the new generation of synchrotron detectors and X-ray powder…

Data Analysis, Statistics and Probability · Physics 2013-07-16 Taha Sochi

Spectroscopic data, particularly diffraction data, contain detailed crystal and microstructure information and thus are crucial for materials discovery. Powder X-ray diffraction (XRD) patterns are greatly effective in identifying crystals.…

Materials Science · Physics 2025-02-18 Bin Cao , Yang Liu , Zinan Zheng , Ruifeng Tan , Jia Li , Tong-yi Zhang

A novel method and experimental configuration are proposed that allow the collection of high-quality X-ray absorption spectroscopy (XAS) data in transmission mode on a standard laboratory diffractometer. This configuration makes use of…

Instrumentation and Detectors · Physics 2025-09-23 Milen Gateshki , Charalampos Zarkadas , Detlef Beckers

Serial electron diffraction (SerialED) is an emerging technique, which applies the snapshot data-collection mode of serial X-ray crystallography to three-dimensional electron diffraction (3D ED), forgoing the conventional rotation method.…

Data Analysis, Statistics and Probability · Physics 2020-11-06 Robert Bücker , Pascal Hogan-Lamarre , R. J. Dwayne Miller

RaDMaX online is a major update to the previously published RaDMaX (Radiation Damage in Materials analysed with X-ray diffraction) software [Souilah, Boulle & Debelle, J. Appl. Cryst. (2016) 49, 311-316]. This program features a user…

Materials Science · Physics 2021-07-20 Alexandre Boulle , Vincent Mergnac

The large amount of powder diffraction data for which the corresponding crystal structures have not yet been identified suggests the existence of numerous undiscovered, physically relevant crystal structure prototypes. In this paper, we…

Materials Science · Physics 2024-10-31 Abhijith S. Parackal , Rhys E. A. Goodall , Felix A. Faber , Rickard Armiento

XML is now becoming an industry standard for data description and exchange. Despite this there are still some questions about how or if this technology can be useful in High Energy Physics software development and data analysis. This paper…

Software Engineering · Computer Science 2021-08-23 S. Patton

Powder X-ray diffraction analysis is a critical component of materials characterization methodologies. Discerning characteristic Bragg intensity peaks and assigning them to known crystalline phases is the first qualitative step of…

Materials Science · Physics 2023-04-12 Jaimie Greasley , Patrick Hosein

This paper presents an extensive experimental study of the state-of-the-art of XML compression tools. The study reports the behavior of nine XML compressors using a large corpus of XML documents which covers the different natures and scales…

Databases · Computer Science 2008-12-18 Sherif Sakr

XML simplifies data exchange among heterogeneous computers, but it is notoriously verbose and has spawned the development of many XML-specific compressors and binary formats. We present an XML test corpus and a combined efficiency metric…

The double machine learning (DML) method combines the predictive power of machine learning with statistical estimation to conduct inference about the structural parameter of interest. This paper presents the R package `xtdml`, which…

Econometrics · Economics 2025-12-19 Annalivia Polselli

Reference sets contain known content that are used to identify relevant or filter irrelevant content. Application profiles are a type of reference set that contain digital artifacts associated with application software. An application…

Software Engineering · Computer Science 2021-03-08 Thomas Laurenson , Stephen MacDonell , Hank Wolfe

As XML becomes ubiquitous and XML storage and processing becomes more efficient, the range of use cases for these technologies widens daily. One promising area is the integration of XML and data warehouses, where an XML-native database…

Databases · Computer Science 2009-12-08 Serge Boucher , Boris Verhaegen , Esteban Zimányi

XrML is becoming a popular language in industry for writing software licenses. The semantics for XrML is implicitly given by an algorithm that determines if a permission follows from a set of licenses. We focus on a fragment of the language…

Cryptography and Security · Computer Science 2008-08-11 Joseph Y. Halpern , Vicky Weissman

We describe an XML file format for storing data from computations in algebra and geometry. We also present a formal specification based on a RELAX-NG schema.

Mathematical Software · Computer Science 2016-05-18 Ewgenij Gawrilow , Simon Hampe , Michael Joswig

XNMR is a system designed to explore the results of combining the well-founded semantics system XSB with the stable-models evaluator SMODELS. Its main goal is to work as a tool for fast and interactive exploration of knowledge bases.

Logic in Computer Science · Computer Science 2007-05-23 L. Castro , D. Warren
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