Datasets of pushing complexometric titrations in the nanomolar range thanks to SERS

<p>These datasets contains the spectral information used in a publication regarding the implementation of complexometric titrations of copper monitored using Surface Enhanced Raman Spectroscopy (SERS). In this study the sensitivity of a classic complexometric titration system for Cu2+ is pushed into the&nbsp;nanomolar regime thanks to SERS monitoring of the endpoint.</p> <p>All the data are organised as column vectors.&nbsp;</p> <p>The data consists of three csv files with semi-column separators.</p> <p>&ldquo;AN334_and_AN338_laser_532nm_1microM_copper_variation_of_PAN_all_data_corrected_serie_11_points&rdquo; correspond to spectral data acquired under 532 nm irradiation with variation of the PAN (100, 50 and 25 nM) concentration for 1 &micro;M of copper.</p> <p>&ldquo;AN335_and_AN341_laser_532nm_500nM_copper_variation_of_PAN_all_data_corrected_serie_11_points&rdquo; correspond to spectral data acquired under 532 nm irradiation with variation of the PAN (100, 50 and 25 nM) concentration for 500 nM of copper.</p> <p>&ldquo;AN336_and_AN344_laser_532nm_250nM_copper_variation_of_PAN_all_data_corrected_serie_11_points&rdquo; correspond to spectral data acquired under 532 nm irradiation with variation of the PAN (100, 50 and 25 nM) concentration for 250 nM of copper.</p> <p>Each dataset has 90 685 rows corresponding to 1 irradiation used (532 nm), 2 experimental replicate titration series including 1 titration + 1 blank titration for each titration and for 3 differents concentrations of PAN and 11 titration steps per titration series. For the 3 copper concentrations we obtain 396 samples.</p> <p>The columns 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-subtracted spectral intensities.</p> <p>The meaning of each column is in the .docx file titled "Structure of AN334-AN338 to AN336-AN344 datasets&rdquo;.</p> <p>The other two csv fils with semi-column separators "AN339_AN342_AN345_laser_638nm_variation_of_copper_and_PAN_all_data_corrected_serie_11_points" and "AN340_AN343_AN346_laser_785nm_variation_of_copper_and_PAN_all_data_corrected_serie_11_points" correspond to spectral data acquired under 638 and 785 nm irradiation respectively. In both files, the data correspond to the 11-point experiments with PAN variation (100, 50 and 25 nM) and copper variation (1 &micro;M, 500 and 250 nM).</p> <p><span>Finally, the data consists of one csv files with semi-column separators.</span></p> <p><span>&ldquo;AN384_to_AN386_Laser_532_638_785nm_all_data_corrected_titration_serie_20_points&rdquo; correspond to spectral data acquired under 532, 638 and 785 nm irradiation.</span></p> <p><span>The dataset has 111 241 rows corresponding to 3 irradiations used (532, 638 and 785), 2 replicate titration series + 1 blank titration and 20 titration steps per titration series.</span><span></span></p> <p><span>The columns 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-subtracted spectral intensities.</span></p> <p>The meaning of each column is in the .docx file titled "Structure of AN384 to AN386 datasets&rdquo;.</p>