FullProfAPP: a graphical user interface for the streamlined automation of powder diffraction data analysis

FullProfAPP is a software tool for data processing, refinement and visualization of large collections of powder diffraction patterns. Featuring an intuitive graphical user interface, it seamlessly facilitates a variety of tasks. These include conducting full-profile phase searches, sequential and hi...

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Bibliographic Details
Authors: Arcelus, Oier, Rodríguez Carvajal, Juan, Katcho, Nebil A., Reynaud, Marine, Black, Ashley P., Chatzogiannakis, Dimitrios, Frontera, Carlos, Serrano Sevillano, Jon, Ismail, Maha, Carrasco, Javier, Fauth, Francois, Palacín, M. Rosa, Casas Cabanas, Montse
Format: article
Status:Versión aceptada para publicación
Publication Date:2024
Country:España
Institution:Consejo Superior de Investigaciones Científicas (CSIC)
Repository:DIGITAL.CSIC. Repositorio Institucional del CSIC
OAI Identifier:oai:digital.csic.es:10261/381593
Online Access:http://hdl.handle.net/10261/381593
https://api.elsevier.com/content/abstract/scopus_id/85206479261
Access Level:Open access
Keyword:FullProf
Graphical user interfaces
High-throughput data handling
Powder diffraction
Rietveld refinement
Sequential refinements
Software
Description
Summary:FullProfAPP is a software tool for data processing, refinement and visualization of large collections of powder diffraction patterns. Featuring an intuitive graphical user interface, it seamlessly facilitates a variety of tasks. These include conducting full-profile phase searches, sequential and high-throughput Rietveld refinements, and managing background (and peak) detection. FullProfAPP also provides convenient interaction with crystallographic databases and supports the visualization and export of high-quality pixel and vector graphics depicting the refinement results, among other functionalities. FullProfAPP wraps around the refinement program FullProf [Rodríguez-Carvajal (1993), Physica B, 192, 55–69] and offers the flexibility of user-defined workflows by accessing and editing FullProf’s input files and triggering its execution as necessary. FullProfAPP is distributed as open-source software and is presently available for Windows and Linux operating systems.

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