addPeaksManually {RMassBank} | R Documentation |
Adds a manual peaklist in matrix-format
addPeaksManually(w, cpdID, handSpec, mode)
w |
The msmsWorkspace that the peaklist should be added to. |
cpdID |
The compoundID of the compound that has been used for the peaklist |
handSpec |
A peaklist with 2 columns, one with "mz", one with "int" |
mode |
The ionization mode that has been used for the spectrum represented by the peaklist |
The msmsWorkspace
with the additional peaklist added to the right spectrum
Erik Mueller
## Not run: handSpec <- cbind(mz=c(274.986685367956, 259.012401087427, 95.9493025990907, 96.9573002472772), int=c(357,761, 2821, 3446)) addPeaksManually(w, cpdID, handSpec) ## End(Not run)