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GCMS-QUANTTAB-combine

combine GCMS output datas

自动整理汇总GC-MS导出的定量文件QUANTTAB.CSV中需要的信息,包括样品名,及各个目标化合物的峰强度。
用到的库包括pandas、os和csv
使用方法:
1.将需要处理的数据文件夹放置example data目录下,假设其名为datafile1。datafile1其内部文件为GC-MS拷贝过来的数据文件,具体可参考**2019出口数据**目录中的文件。
2.将combine QUANTTAB datas.py脚本中path改为path=r'./example data/datafile1/*/QUANTTAB.CSV',运行脚本即可,整合好的数据会自动储存在combined results.csv文件里。

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