peakWidthOverTime: Discretize RT peak widths by averaging values per time bin.

In PTXQC: Quality Report Generation for MaxQuant and mzTab Results

Discretize RT peak widths by averaging values per time bin.

Description

Should be applied for each Raw file individually.

Usage

peakWidthOverTime(data, RT_bin_width = 2)

Arguments

data	Data.frame with columns 'retention.time' and 'retention.length'
RT_bin_width	Bin size in minutes

Details

Returns a data.frame, where 'bin' gives the index of each bin, 'RT' is the middle of each bin and 'peakWidth' is the averaged peak width per bin.

Value

Data.frame with columns 'bin', 'RT', 'peakWidth'

Examples

  data = data.frame(retention.time = seq(30,200, by=0.001)) ## one MS/MS per 0.1 sec
  data$retention.length = seq(0.3, 0.6, length.out = nrow(data)) + rnorm(nrow(data), 0, 0.1)
  d = peakWidthOverTime(data)
  plot(d$RT, d$peakWidth)
  
  

PTXQC documentation built on May 29, 2024, 9:26 a.m.