annotation_fit_summary_UI_helper {peakPantheR} | R Documentation |
Return a table of fit statistic (ratio of peaks found, ratio of peaks filled, ppm error, RT deviation)
annotation_fit_summary_UI_helper(annot)
annot |
(peakPantheRAnnotation) Annotation object |
(data.frame) Fit statistics
## 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) # statistics of an empty annotation annotation_fit_summary_UI_helper(emptyAnnotation) # Ratio peaks found (%) Ratio peaks filled (%) ppm error # ID-1 - Cpd 1 NA 0 NaN # ID-2 - Cpd 2 NA 0 NaN # RT deviation (s) # ID-1 - Cpd 1 NaN # ID-2 - Cpd 2 NaN