public SimCentroid(Spectra spec, int i, Random rnd) { IsExceptional = true; IsReferenced = false; IsMerged = true; IsFragmented = true; IsMonoisotopic = true; Charge = rnd.Next(1, 6); //note this charge is the charge of each peak on a ms2, so this is not the precursor charge Profile = null; Mz = spec.getPeakMz()[i]; Intensity = spec.getPeakIntensity()[i]; Resolution = 100000; }