International Tables for Crystallography


PrestoPronto: a software package for large EXAFS data sets
Carmelo Prestipino. International Tables for Crystallography (2024). Vol. I [ doi:10.1107/S1574870720003432 ]

Abstract

PrestoPronto is a free and open-source collection of programs aimed at performing X-ray absorption spectroscopy analysis of large data sets. The software is composed of three programs: (i) PrestoPronto_GUI, which imports spectra in various formats, pre-processes data and performs classical data analysis, (ii) LinearCom_GUI, which performs linear combination analysis, and (iii) PCA_GUI, which performs principal component analysis. All parts of the software package include practical and intuitive graphical user interfaces (GUIs) with plotting capabilities. The main objective of these programs is to quickly and interactively monitor time-resolved experiments from Quick-EXAFS (QEXAFS) and dispersive EXAFS beamlines.


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About International Tables for Crystallography

International Tables for Crystallography is the definitive resource and reference work for crystallography. The multi-volume series comprises articles and tables of data relevant to crystallographic research and to applications of crystallographic methods in all sciences concerned with the structure and properties of materials.