ms-fragment-lister

What is it?

This script will take exported mass listings from wsearch32 (a free software for mass spectrometry) and format all values so that:

• the values are rounded
• only values above 4% relative intensity are listed (this can be adjusted as needed)
• the relative intensities appear in parentheses
• the output is a CSV file

How to use

Put the exported mass listings in the same folder as fragment-lister.py and run the script.

Your Python installation must have pandas installed and the filename must end on .D.txt. The script will work through all exported mass listings and produce one CSV output for every mass listing.