Python code for PARAFAC decomposition of HPLS-MS data.
Example of jupiter notebook is HPLC-MS-PARAFAC.ipynb including .mzml data parsing, data preprocessing (denoising, normalization, tensor construction), PARAFAC decomposition and results visualization and interpretation (HCA, k-means). Example of dataset can be found in dataset_mzml folder consisting of 34 samples, including Glycyrrhiza glabra and Panax ginseng dried roots, and Abrus precatorius dried leaves as well as their double and triple mixtures and flavored oolong tea samples