qcxms / PlotMS

Plot program for QCxMS spectrum plotting
GNU Lesser General Public License v3.0
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When plotting without an isotope pattern ("-p"), the highest peak of an isotope pattern is now simply taken #21

Closed gorges97 closed 1 year ago

gorges97 commented 1 year ago

In the previous version, the intensities of all peaks of an isotope pattern were added to one peak, whereas in the experiment, these isotope peaks are filtered out. Therefore, the intensities of peaks containing elements with a distinct isotopic pattern were off with respect to the experiment.