Code

MATLAB Mass-Spectroscopy Peak Detection

data conversion - normalisation - baseline correction - peak detection

This toolkit allows user to input raw mass spectroscopy (MS) data in MzXML format and perform peak detection. The code is available on GitHub, and the relevant paper is here.

Python Mass-Spectroscopy Peak Alignment

peak alignment

ChromAlignNet is a Python toolkit using deep learning to align MS data. The code is available on GitHub and the relevant paper is same as above.