PlotMS version 6.2.0

now includes the isotopes for all elements up to Bismuth

PlotMS version 6.1.0

Major release
New release for QCxMS version 5.2.0 and higher.

• enables plotting of negative and multiple charged structures and their isotope patterns
• comparison to experimental .csv values with plotms -e <filename>.csv
• added Ca and La isotope patterns

PlotMS version 6.0.1

Bugfix release. The isotope patterns weren't recreated correctly, because of a floating point conversion error. Bug is now fixed. 🐞

PlotMS version 6.0

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 )

PlotMS version 5.0

This version was developed for QCxMS, so it reads qcxms.xxx files and will not work with QCEIMS! The program now distinguishes between qcxms.res and qcxms_cid.res files.

Updates:

• fixed an issue where the masses were rounded to the lowest integer instead of the nearest 🪲
• use -m <integer> to determine the lowest m/z value for your plot.
• use -i to switch off adding the isotope patterns.

PlotMS version 5.1

Updates:

• Files qcxms.res, tmpqcxms.res and qcxms_cid.res, tmpqcxms_cid.res are discriminated
• Some isotope values are corrected
• Increased precision of values

PlotMS version 4.2

Plotms for the latest QCEIMS v.4.3 version.

For QCxMS, use PlotMS version 5.0

PlotMS version 4.1

Enables plotting of EI and CID mass spectra.
Rounds masses to nearest integer.