Dataset for: "Enhancing vibrational spectroscopy-based diagnosis through in silico modelling: The case of infrared absorption spectrum of urine"

The zip file contains all the spectra, associated data, functions and scripts from the different sections of the research paper. Dataset.mlx creates the dataset necessary to run Simulation_Script.mlx Matlab R2024a and the PLS_Toolbox from Eigenvector Research (version 9.2) were used to create these files.