This function identifies natural, stable 13C isotopes within an xcmsSet object of LC-HRMS data. Isotopes have to be within a mass-, retentiontime- and intensitywindow to be recognized as isotopes. If checkBorderIntensity is TRUE the maximum intensity of each peaks has to be at least three times the intensity at rtmin and rtmax.
character to choose if the peakshape should be checked and if so how
Identification of 13C isotopes
An matrix with 2 columns. Column one shows the peak id of the 12C, peak column two shows the id of the respective 13C isotope peak.
1 2 3
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