filterPpmError: filterPpmError

Description Usage Arguments Details Value

View source: R/checkEICFunctions.R

Description

This function computes an estimate for the ppm error threshold.

Usage

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filterPpmError(
  approvedPeaks,
  useGap,
  varExpThresh,
  returnPpmPlots,
  plotDir,
  observedPeak,
  filename
)

Arguments

approvedPeaks

This is a data.frame with information on bins retained after filtering with user input mz error threshold and continuity checks.

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.

observedPeak

A list with names 'start' and 'end' containing scalar values representing the calculated peak boundary points

filename

A string containing the name of the current data file being analyzed.

Details

A distribution is created from the set of all ppm values identified. The most dense peak of this distribution is assumed to represent the standard ppm error of the data.

Value

This function returns a scalar value representing ppm error estimate.


crmclean/AutoTuner documentation built on Jan. 29, 2021, 4:48 p.m.