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rtmsEcho (version 0.2.4)

processAllMRMAreas: Process an MRM file in total

Description

This is a convenience function that performs an end to end analysis of an Sciex MRM run; it can be used when the intermediate data structures (total ion chromatograms, shot lists, .wiff file readers) are not required.

Usage

processAllMRMAreas(wiffFile, wiffScanFile, removeBaseline = TRUE, ...)

Value

A list containing two data frames: ejections, with all extracted TIC peaks for all runs, as output by measureEjections(), and massAreas, containing the measured areas for all mass transitoins and all peaks in all runs, as output by getMRMAreas(). Both data frames contain an addtional wiffSample column indicating which run within the file the values were extracted from.

Arguments

wiffFile

A valid file path to the Sciex data file (extension .wiff) containing the metadata for one or more EchoMS runs

wiffScanFile

An valid file path the the Sciex scan file (extension .wiff.scan) containing the full raw EchoMS data

removeBaseline

If TRUE, baseline intensity for each mass transition will be subtracted from the intensities in each ejection, to account for baseline intensities measured near the lower limit of quantitation

...

Additional optional parameters to be passed to measureEjections()