HPIC is a reliable and sensitive method to extract PIC from raw LC-MS dataset directly. Based on the concept that meaningful metabolites tend to generate ions with high density in the m/z and retention space, HDBSCAN is used to find these high density regions and distinguish real signals from noises. It can provide a reasonable and flexible way to determine the m/z tolerance range rather than to give or estimate a fixed m/z tolerance value.
-
Run following command in Anaconda Prompt
pip install git+git://github.com/zmzhang/HPIC@master-
Examples: run the unittests in tests folder
-
Documents: usages of major functions are provoided as their docstrings
For any questions, please contact: zmzhang@csu.edu.cn