Article (Scientific journals)
TIHI Toolkit: A Peak Finder and Analyzer for Spectroscopic Data
HAN, Kyunghoon; BOZIKI, Ariadni; TKATCHENKO, Alexandre et al.
2024In ACS Omega, 9 (50)
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Keywords :
Chemistry (all); Chemical Engineering (all)
Abstract :
[en] Complex signal vectors, particularly spectra, are integral to many scientific domains. Interpreting these signals often involves decomposing them into contributions from independent components and subtraction or deconvolution of the channel and instrument noise. Despite the fundamental nature of this task, researchers frequently rely on costly commercial tools. To make such tools accessible to all, we present Tihi, interactive, open-source multiplatform software for interpolation, denoising, baseline correction, peak detection, and signal decomposition. Tihi provides a user-friendly graphical interface (GUI) that facilitates the analysis of spectroscopic data and more. It allows researchers to contribute to and freely distribute these tools, ensuring broad accessibility and fostering collaborative improvements. We present examples demonstrating the efficiency of the program using the spectra of different systems acquired by different spectroscopic techniques, including Raman (aspirin), IR (solid ammonia), XRD (anatase), and UV-vis (petal tip from the Puya alpestris flower). These examples showcase a variety of spectra that differ significantly, from signals with narrow profiles to signals with very broad profiles. This demonstrates the versatility of Tihi for peak identification in a wide range of spectroscopic techniques.
Research center :
ULHPC - University of Luxembourg: High Performance Computing
Disciplines :
Physics
Materials science & engineering
Engineering, computing & technology: Multidisciplinary, general & others
Author, co-author :
HAN, Kyunghoon  ;  University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)
BOZIKI, Ariadni  ;  University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)
TKATCHENKO, Alexandre  ;  University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)
BERRYMAN, Josh  ;  University of Luxembourg > Faculty of Science, Technology and Medicine (FSTM) > Department of Physics and Materials Science (DPHYMS)
External co-authors :
no
Language :
English
Title :
TIHI Toolkit: A Peak Finder and Analyzer for Spectroscopic Data
Publication date :
06 December 2024
Journal title :
ACS Omega
eISSN :
2470-1343
Publisher :
American Chemical Society
Volume :
9
Issue :
50
Peer reviewed :
Peer Reviewed verified by ORBi
Focus Area :
Physics and Materials Science
Development Goals :
9. Industry, innovation and infrastructure
FnR Project :
QUIRE
Name of the research project :
R-AGR-3795 - C20/MS/14588607/QUIRE - BERRYMAN Josh
Funders :
Fonds National de la Recherche Luxembourg
Funding number :
C20/MS/14588607
Funding text :
This project is funded by the grant C20/MS/14588607 of the Fonds Nationale de la Recherche (FNR) Luxembourg. The calculations presented in this paper were carried out using the HPC facilities of the University of Luxembourg (see hpc.uni.lu ). The authors thank Tobias Henkes, Alessio Fallani, Matthieu Sarkis, F. Simone Ruggeri, Carolin Müller and Gregory Cordeiro Fonseca for attention and instruction during the development process.
Available on ORBilu :
since 17 December 2024

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