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.本数据集包含用于复现论文《CASMDB：面向一维1H核磁共振（1D 1H NMR）代谢组学的代谢物注释数据开源数据库》中所有表格与图表的全部数据及配套脚本。 运行Python脚本CASMDB_Figures.py与Supplementary_Figure_1.py，即可生成该论文的对应图表。 上述脚本需依赖以下Python第三方库：numpy、pandas、scipy、sklearn、matplotlib及matplotlib_venn。