Datasets of titrations of mineral water hardness monitored using SERS
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https://zenodo.org/record/6980618
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资源简介：
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.
« MD150 to 155_Master_df_638_corrected_mod_v02.csv » and « MD150 to 155_Master_df_785_corrected_mod_v02.csv » 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 « MD150 to 155_Master_df_638_corrected_mod_v02.csv » 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 « MD150 to 155_Master_df_785_corrected_mod_v02.csv » dataset, the spectra section consists of 1746 columns which names are the values of the Raman shifts at which the intensities have been recorded.
创建时间：
2022-08-11
