calibPointNew: Generic method calibPointNew that modifies slot calibPoints

In tofsims: Import, process and analysis of Time-of-Flight Secondary Ion Mass Spectrometry (ToF-SIMS) imaging data

Description

calibPointNew is a method to set a new mass calibration point

Usage

calibPointNew(object, mz, reset = FALSE, value = NULL)

## S4 method for signature 'MassSpectra,numeric'
calibPointNew(object, mz, reset = FALSE, value = NULL)

Arguments

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

Details

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.

Value

call by reference, hence MassSpectra object with new calib point

object MassSpectra with added/updated calibration points

Examples

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')

tofsims documentation built on Nov. 8, 2020, 5:10 p.m.