Datasets of titrations of mineral water hardness monitored using SERS

These datasets contains the spectral information used in a publication regarding the implementation of complexometric titrations of water hardness monitored using Surface Enhanced Raman Spectroscopy (SERS). The data consists of two csv files with semi-column separators. <em>« MD150 to 155_Master_df_638_corrected_mod_v02.csv »</em> and <em>« MD150 to 155_Master_df_785_corrected_mod_v02.csv »</em> correspond to spectral data acquired under 638 and 785 nm irradiation respectively. The data are organised as row vectors. Each dataset has 432 rows corresponding to 3 water samples (Evian, Volvic, Contrex), 3 replicate titration series + 1 blank titration per batch of NPs, 2 batches of NPs and 18 titration steps per titration series: . The row vectors consist of a first sub-vector of spectral descriptors (identity of spectra, identity and composition of measurement samples and conditions of spectral acquisition), followed by a sub-vector of baseline-substracted spectral intensities. In both datasets, the first 14 columns consists of the spectral descriptors. In the <em>« MD150 to 155_Master_df_638_corrected_mod_v02.csv » </em>dataset, the spectra section consists of 1010 columns which names are the values of the Raman shifts at which the intensities have been recorded. In the <em>« MD150 to 155_Master_df_785_corrected_mod_v02.csv »</em> dataset, the spectra section consists of 1746 columns which names are the values of the Raman shifts at which the intensities have been recorded.