A dataset of Raman spectra with quantitative labels of mixtures of nitrate, nitrite and sulphate
- 1Scuola di Scienze e Tecnologie, Chemistry Division, Università di Camerino, Camerino, Italy
- 2Dipartimento di Ingegneria dell’Informazione, Università Politecnica delle Marche, Ancona, Italy; Corresponding author.
- 3Dipartimento di Ingegneria dell’Informazione, Università Politecnica delle Marche, Ancona, Italy
Abstract
This article describes a dataset of Raman spectra acquired from aqueous solutions containing nitrate, nitrite, and sulphate ions at known concentration levels. The dataset includes 694 raw Raman spectra collected in the Stokes region from 400 to 3900 cm⁻¹, and each spectrum is associated with quantitative labels reporting the concentrations of nitrate, nitrite, and sulphate in mg/L. The data include single-analyte, binary-mixture, and ternary-mixture samples, covering a range of concentration values for the three target anions. The spectra were recorded using a micro-Raman system integrating an Olympus BXFM microscope, a 50× objective, and a Horiba iHR320 spectrometer equipped with a Horiba Syncerity CCD detector, with measurements performed under 532 nm excitation. The dataset is organized in spreadsheet files in which spectral intensity values are reported as a function of wavenumber, followed by the three quantitative concentration labels for each sample. This dataset can support the development, validation, and comparison of signal processing, chemometric, and machine learning approaches for Raman-based water analysis, including both qualitative recognition and quantitative estimation tasks in single- and multi-analyte conditions.
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BibTeX
@article{luciani2026dataset,
title = {{A dataset of Raman spectra with quantitative labels of mixtures of nitrate, nitrite and sulphate}},
author = {Lorenzo Luciani and Antonio Nocera and Michela Raimondi and Agnese Sbrollini and Micaela Morettini and Rossana Galassi},
journal = {Data in Brief},
year = {2026},
month = aug,
doi = {10.1016/j.dib.2026.113319},
url = {https://doi.org/10.1016/j.dib.2026.113319},
note = {CC BY},
}
RIS
TY - JOUR
TI - A dataset of Raman spectra with quantitative labels of mixtures of nitrate, nitrite and sulphate
AU - Lorenzo Luciani
AU - Antonio Nocera
AU - Michela Raimondi
AU - Agnese Sbrollini
AU - Micaela Morettini
AU - Rossana Galassi
PY - 2026
DA - 2026/08/01
JO - Data in Brief
DO - 10.1016/j.dib.2026.113319
UR - https://doi.org/10.1016/j.dib.2026.113319
AB - This article describes a dataset of Raman spectra acquired from aqueous solutions containing nitrate, nitrite, and sulphate ions at known concentration levels. The dataset includes 694 raw Raman spectra collected in the Stokes region from 400 to 3900 cm⁻¹, and each spectrum is associated with quantitative labels reporting the concentrations of nitrate, nitrite, and sulphate in mg/L. The data include single-analyte, binary-mixture, and ternary-mixture samples, covering a range of concentration values for the three target anions. The spectra were recorded using a micro-Raman system integrating an Olympus BXFM microscope, a 50× objective, and a Horiba iHR320 spectrometer equipped with a Horiba Syncerity CCD detector, with measurements performed under 532 nm excitation. The dataset is organized in spreadsheet files in which spectral intensity values are reported as a function of wavenumber, followed by the three quantitative concentration labels for each sample. This dataset can support the development, validation, and comparison of signal processing, chemometric, and machine learning approaches for Raman-based water analysis, including both qualitative recognition and quantitative estimation tasks in single- and multi-analyte conditions.
SN - 2352-3409
ER -