CASMDB: An Open-Source Database of Metabolite Annotation Data for 1D 1H NMR-Based Metabolomics: Figure and Table Data

All the data and scripts required to re-create the tables and figures for the paper: CASMDB: An Open-Source Database of Metabolite Annotation Data for 1D 1H NMR-Based Metabolomics. Run the python scripts: CASMDB_Figures.py and Supplementary_Figure_1.py to generate the figures. The scripts require the Python packages: numpy, pandas, scipy, sklearn, matplotlib and matplotlib_venn.