View source: R/internalProcessing.R
annotateIsotopes | R Documentation |
Annotate isotopes based on mass differences, retention time and peak correlation if required.
annotateIsotopes( peaklist, rawScans, dmz, drt, massdiff, charge, isotopeAb, m0mass, corThr, checkInt, checkCor )
peaklist |
extracted peaks. Data.frame with 4 columns (mz, RT, int and peakID). |
rawScans |
raw scan data. Data.frame with 5 columns (mz, RT, int, peakID and Scan). |
dmz |
mass tolerance in ppm. |
drt |
RT windows with the same units used in peaklist. |
massdiff |
mass difference. |
charge |
charge. |
isotopeAb |
isotope natural abundance. |
m0mass |
mass of the most abundant naturally occurring stable isotope. |
corThr |
peak correlation threshold. |
checkInt |
logical. If TRUE, relative intensity is checked. |
checkCor |
logical. If TRUE, peaks correlation is checked. |
peaklist with 6 columns (mz, RT, int, peakID, isotope and isoGroup).
M Isabel Alcoriza-Balaguer <maialba@iislafe.es>
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