IR and Raman spectroscopic data and analysis code for "Concentration-Dependent Restructuring of the Eigen-Zundel Ensemble Revealed by a Solvation-State Map of the Hydrated Proton"

FTIR and Raman spectra of aqueous HCl solutions (0–2 M) used in the associated study on the concentration-dependent solvation structure of the hydrated proton. FTIR spectra (1000–4000 cm⁻¹) were recorded on a PerkinElmer Spectrum3 spectrometer at 1 cm⁻¹ resolution using a CaF₂ flow cell. Raman spectra (200–4000 cm⁻¹) were recorded on a Horiba LabRAM HR Evolution spectrometer with 532 nm excitation. Data are provided as individual CSV files for each concentration and as combined tab-delimited matrix files. See README.txt for full file-format details and experimental conditions. Analysis code (MATLAB spectral decomposition/global fitting, Python PCA and MCR) is included.