R/methods_peakPantheRAnnotation.R
outputAnnotationParamsCSV-peakPantheRAnnotation-method.Rd
Save annotation parameters (ROI, uROI and FIR) to disk as a CSV file for editing
# S4 method for peakPantheRAnnotation
outputAnnotationParamsCSV(
object,
saveFolder,
verbose,
noSave
)
(peakPantheRAnnotation) Annotated peakPantheRAnnotation object
(str) Path of folder where annotationParameters_summary.csv will be saved
(bool) If TRUE message progress
(bool) If TRUE the resulting table will be returned without saving to disk
None
## Initialise a peakPantheRAnnotation object with 3 samples and 2 targeted
## compounds
# Paths to spectra files
spectraPaths <- c('./path/file1', './path/file2', './path/file3')
# targetFeatTable
targetFeatTable <- data.frame(matrix(vector(), 2, 8, dimnames=list(c(),
c('cpdID','cpdName','rtMin','rt','rtMax','mzMin','mz',
'mzMax'))), stringsAsFactors=FALSE)
targetFeatTable[1,] <- c('ID-1', 'Cpd 1', 3310., 3344.888, 3390., 522.194778,
522.2, 522.205222)
targetFeatTable[2,] <- c('ID-2', 'Cpd 2', 3280., 3385.577, 3440., 496.195038,
496.2, 496.204962)
targetFeatTable[,c(3:8)] <- vapply(targetFeatTable[,c(3:8)], as.numeric,
FUN.VALUE=numeric(2))
emptyAnnotation <- peakPantheRAnnotation(spectraPaths=spectraPaths,
targetFeatTable=targetFeatTable)
# temporary file
savePath <- tempdir()
# statistics of an empty annotation
outputAnnotationParamsCSV(emptyAnnotation, saveFolder=savePath, verbose=TRUE)
#> Annotation parameters saved at C:\Temp\RtmpOQUVbX/annotationParameters_summary.csv