Integrate fallback integration regions

Integrate region defined in FIR if a feature is not found

integrateFIR(rawSpec, FIR, foundPeakTable, verbose = TRUE)

Arguments

rawSpec

an OnDiskMSnExp-class

FIR

(data.frame) Fallback Integration Regions (FIR) to integrate when a feature is not found. Compounds as row are identical to the targeted features, columns are rtMin (float in seconds), rtMax (float in seconds), mzMin (float), mzMax (float)

foundPeakTable

a data.frame as generated by findTargetFeatures, with features as rows and peak properties as columns. The following columns are mandatory: found, is_filled, mz, mzMin, mzMax, rt, rtMin, rtMax, peakArea, peakAreaRaw, maxIntMeasured, maxIntPredicted.

verbose

(bool) if TRUE message progress

Value

an updated foundPeakTable with FIR integration values