TIHI Toolkit: A Peak Finder and Analyzer for Spectroscopic Data.

ACS Omega

Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg City, Luxembourg.

Published: December 2024

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 , interactive, open-source multiplatform software for interpolation, denoising, baseline correction, peak detection, and signal decomposition. 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 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 for peak identification in a wide range of spectroscopic techniques.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC11656381PMC
http://dx.doi.org/10.1021/acsomega.4c06830DOI Listing

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