precursor m/z calculation

[IwanParf]

Dear pLink developers, in the report tables there are two columns called Precursor_Mass and Peptide_Mass, which both contain the calculated mass of the precursor peptide (The numbers are actually not exactly the same!). It would be helpful if the Precursor_Mass column would show the precursor m/z. Most of the users probably don't care, but if one wants to use a custom downstream pipeline to e.g. extract the area under the curve of the precursor, one needs this information. Of course it is possible to calculate this from the peptide mass and the charge. However, max 2-3 digits are shown after the decimal separator, so there's some room for follow-up errors from these apparently rounded peptide masses.

Best regards,

Iwan