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PlotMS version 6.0

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@JayTheDog JayTheDog released this 24 Nov 18:15
· 18 commits to main since this release
c5b5fc6

Major update of the PlotMS code, increasing the accuracy and output information. #8
With switching from integers, comparison to NIST spectra is currently not supported anymore. This will be addressed in future updates.

General:

  • provides exact masses instead of unit masses (#3 )
  • writes out result.csv and result.jdx files masses in results.xxx
  • normalize intensities to 1000 instead of 100 for better comparison (issue #1 )
    -> (mass.agr printout remains at 100% for xmgrace print)
  • enables to plot masses higher than ... % relative intensity (plotms -i )
  • added tungsten (issue #2 )