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This script will take exported mass listings from wsearch32 (a free software for mass spectrometry) and format all values so that:
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- the values are rounded
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- only values above 4% relative intensity are listed (this can be adjusted as needed)
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- the relative intensities appear in parentheses
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- the output is a CSV file
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## How to use
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Put the exported mass listings in the same folder as ``fragment-lister.py`` and run the script.
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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.
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