R/preprocessing.R

In jclaesen/pacMASS-R: Predicting the Elemental Composition of Peptides and Small Proteins Based on the Monoisotopic Mass

filterMonoMass <- function(monoMass, lowerLimit=0, upperLimit=4000){
  
  if((monoMass >= lowerLimit) & (monoMass <= upperLimit))
    return(monoMass)
  
}

convertNeutralMass <- function(mz, z){
  
  neutralMass <- (mz-1.00794)*z
  return(neutralMass)
}