Plot Mass Spectra (PlotMS) plotting program for the QCxMS program.
Installation
Put the plotms executable into your $HOME/bin/ folder.
Put the .mass_raw.agr file into your $HOME folder.
Compiling
Download the source code. Go into the created folder and run make.
Running the script
The files qcxms.res and qcxms_cid.res are produced then QCxMS is finished with the last run. Run plotms in your working directory.
From version 6.0 and higher, exact masses are produced.
The following files are produced:
- mass.agr - output in the XMGRACE format. The m/z and relative intensities can be found at the bottom of the file.
- result.jdx - output in the JCAMP format.
- result.csv - output in the CSV format. the m/z and the abundances values can be found.
For the older QCEIMS program, use plotms version 4.2
Documentation
Find the documentation and other useful information for visualization at the PlotMS docs.