Shunyang2018 / plot_msms_accurate

Geek Repo:Geek Repo

Github PK Tool:Github PK Tool

plot_msms

Edited for ms/ms file processing with accurate mass


  • 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.

About


Languages

Language:Fortran 100.0%