plot_msms

Edited for ms/ms file processing with accurate mass

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• Last modified on Dec 16th 2020
• match the correct format for jdx file.

To use

Make sure the qceims.res file is exsit.

Run the executable file plotms_accurate.

Output

All the formula will be in the formula.txt

Integer mass will be in the result.jdx file.

The accurate mass, intensity and formula will be in the accuratemass.jdx file.