checkEICPeaks {Autotuner} | R Documentation |
This function is the outer most function used to check for individual EIC peak specific parameters.
checkEICPeaks(mzDb, header, observedPeak, massThresh = 0.005, useGap, varExpThresh, returnPpmPlots, plotDir, filename)
mzDb |
A list of data.frames containing the m/z and intensity values from each scan's mass spectra. |
header |
A data.fame containing metadata on the sample like spectra type, retention time, and scan count. |
observedPeak |
A list with names 'start' and 'end' containing scalar values representing the calculated peak boundary points |
massThresh |
A generous exact mass error threshold used to estimate PPM for features. |
useGap |
Parameter carried into checkEICPeaks that tells Autotuner whether to use the gap statustic to determine the proper number of clusters to use during ppm parameter estimation. |
varExpThresh |
Numeric value representing the variance explained threshold to use if useGap is false. |
returnPpmPlots |
Boolean value that tells R to return plots for ppm distributions. |
plotDir |
Path where to store plots. |
filename |
A string containing the name of the current data file being analyzed. |
This function returns a peak specific set of processign parameters.