outputAnnotationSpectraMetadata_UI_helper: UI export helper - spectra path and metadata

In phenomecentre/peakPantheR: Peak Picking and Annotation of High Resolution Experiments

UI export helper - spectra path and metadata

Description

Return a table with spectra as rows and filepath and all spectra metadata columns

Usage

outputAnnotationSpectraMetadata_UI_helper(annot)

Arguments

annot

(peakPantheRAnnotation) Annotation object

Value

(data.frame) Spectra paths and metadata

Examples

## 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

phenomecentre/peakPantheR documentation built on Feb. 29, 2024, 9:07 p.m.