Dataset for: Rapid Quantification of Sodium Chloride in Aqueous Solu-tions Using Raman Spectroscopy and Partial Least Squares Regression

This dataset supports the manuscript "Rapid Quantification of Sodium Chloride in Aqueous Solutions Using Raman Spectroscopy and Partial Least Squares Regression" submitted to Analytica (MDPI, manuscript ID: analytica-4493911). It contains the raw and preprocessed Raman spectra, reference NaCl concentration values, the Python scripts used for baseline optimization, spectral preprocessing, and PLS-R modeling, and the resulting figures and consolidated results tables reported in the manuscript. The Raman spectra were acquired to build and validate a Partial Least Squares Regression (PLS-R) model capable of quantifying NaCl concentration in aqueous solution. This dataset enables full reproduction of the preprocessing, calibration, cross-validation, and external validation results reported in the manuscript. Contents: - 1_SPREADSHEETS/— Raw and preprocessed Raman spectra (ALS, SG, ALS+SG, ALS+SG+SNV) for 15 calibration samples and 5 external validation samples, with reference NaCl concentrations (mol·L⁻¹). - 2_PYTHON_CODES — Scripts for ALS baseline parameter grid-search, Savitzky-Golay filtering with SNR evaluation, SNV normalization, and PLS-R model calibration, cross-validation, and external validation. - 3_FIGURES_AND_TABLES — Figures and consolidated results tables as reported in the manuscript. A detailed README.md file is included, describing every folder, file, and script in full. No confidential, proprietary, or personally identifiable information is contained in this dataset.