In this tutorial, we present TrAGICo (Trends Analysis Guided Interfaces Collection), a Python collection of functions for the extraction and analysis of experimental parameters from 1D and pseudo-2D NMR spectra acquired on Bruker instruments. We demonstrate the application of TrAGICo through practical examples, highlighting its utility for various NMR applications, such as extraction of the chemical shift temperature dependence, relaxation studies, and reaction monitoring.
Extracting Trends From NMR Data With TrAGICo: A Python Toolbox / Fiorucci, Letizia; Bruno, Francesco; Querci, Leonardo; Kubrak, Adam; Bindi, Jlenia; Rodić, Nebojša; Licciardi, Giulia; Luchinat, Enrico; Parigi, Giacomo; Piccioli, Mario; Ravera, Enrico. - In: MAGNETIC RESONANCE IN CHEMISTRY. - ISSN 0749-1581. - ELETTRONICO. - 0:(2025), pp. 5537.1-5537.27. [10.1002/mrc.5537]
Extracting Trends From NMR Data With TrAGICo: A Python Toolbox
Fiorucci, Letizia;Querci, Leonardo;Kubrak, Adam;Bindi, Jlenia;Licciardi, Giulia;Luchinat, Enrico;Parigi, Giacomo;Piccioli, Mario;Ravera, Enrico
2025
Abstract
In this tutorial, we present TrAGICo (Trends Analysis Guided Interfaces Collection), a Python collection of functions for the extraction and analysis of experimental parameters from 1D and pseudo-2D NMR spectra acquired on Bruker instruments. We demonstrate the application of TrAGICo through practical examples, highlighting its utility for various NMR applications, such as extraction of the chemical shift temperature dependence, relaxation studies, and reaction monitoring.
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