This README is horribly out-of-date.
Use optical absorbance spectra for urea in solvent (water, saline, fresh dialysate) to predict urea concentration.
- Collect optical absorbance data with UV-Vis spectrophotometer for various urea concentrations in various solvents (water, 0.15M NaCl saline, fresh dialysate)
- Observe various multivariate analysis and classifier algorithms on their accuracy of prediction.
- Use PCA regression and PLS comparison model from here: https://scikit-learn.org/stable/auto_examples/cross_decomposition/plot_pcr_vs_pls.html
| Filename | Contents |
|---|---|
| urea_saline_uvvis.csv | Absorbance of urea in saline, UV-Vis region measured with UV-Vis spectrophotometer |
| urea_saline_cary5000.csv | Absorbance of urea in saline, 190-2500 nm measured with Cary5000 |
| urea_saline_normalized_cary5000.csv | Absorbance of urea in saline, normalized, 190-2500 nm measured with Cary5000, normalized version of urea_saline_cary5000.csv |
| pour_saline_uvvis.csv | Absorbance of POUR samples in saline, UV-Vis region measured with UV-Vis spectrophotometer |
- From data from UV-Vis from 190-500 nm for various urea concentrations in water with 3 replicates, PLS and PCA regression models were fit. The wavelength range with the highest r-squared values for both regressions was determined. For this dataset, the r-squared was 0.97 for both regression methods with an optimal wavelength range of 200-215 nm.