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Simple peak detection algorithm on chromatographic data

find_peak_points.Rd

Basic peak picking algorithm that finds a targeted chromatographic peak given based on retention time and intensities and expected retention time of the target signal. The chromatographic signal is expected to contain only signal from a single ion. See details below for information on the algorithm.

Usage

find_peak_points(
  rtime = numeric(),
  intensity = numeric(),
  targetRtime = numeric(),
  .check = TRUE
)

Arguments

rtime

numeric with retention times.

intensity

numeric (same length as rtime) with the signal intensities.

targetRtime

numeric(1) with the expected retention time of the target peak.

.check

logical(1) whether input parameters should be checked. Use .check = FALSE only if validity of the input parameters was checked in an upstream function.

Details

The method:

  • identifies first all loacal maxima in intensity, then

  • removes local maxima with an intensity lower than 50% of the maximum intensity in intensity and finally

  • reports the above defined tentative peak apex with an retenton time closest to the provided targetRtime.

The closest local minima that are at least 2 data points from the apex position are reported as the left and right margin of the peak.

Author

Pablo Vangeenderhuysen