calibPointNew {tofsims} | R Documentation |
calibPointNew
is a method to set a new mass calibration point
calibPointNew(object, mz, reset = FALSE, value = NULL) ## S4 method for signature 'MassSpectra,numeric' calibPointNew(object, mz, reset = FALSE, value = NULL)
object |
MassSpectra object |
mz |
the m/z value to be specified with a TOF value |
reset |
shall the list of calibration points be reset |
value |
TOF value to be assigned to mz |
calibPointNew
ia a method to set a new mass calibration point. When
value
is not provided as arguemnt, the TOF for the chosen mz
value has to be chosen interactively by mouse.
call by reference, hence MassSpectra object with new calib point
object MassSpectra with added/updated calibration points
library(tofsimsData) data(tofsimsData) testSpectra <- calibPointNew(testSpectra, mz = 15, value = 15.01551) testSpectra <- calibPointNew(testSpectra, mz = 181, value = 181.0228) calibPoints(testSpectra) par(mfcol=c(1,2)) plot(testSpectra,mzRange=c(38.5,40.5),type='l') testSpectra <- recalibrate(testSpectra) plot(testSpectra, mzRange=c(38.5,40.5), type='l')