Description Usage Arguments Value Examples
Return a table with spectra as rows and filepath and all spectra metadata columns
1 |
annot |
(peakPantheRAnnotation) Annotation object |
(data.frame) Spectra paths and metadata
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 | ## 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)
# spectraMetada of an empty annotation
outputAnnotationSpectraMetadata_UI_helper(emptyAnnotation)
# filepath
# 1 ./path/file1
# 2 ./path/file2
# 3 ./path/file3
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