determiningSizePeak.Geom {proFIA} | R Documentation

## Determine the limits of the injection peak in a FIA acquisition.

### Description

Determine a first approximation of the injection peak using the Douglas-Peuker Algorithm provided in the `rgeos` package. The object provided must be an xcmsRaw object.

### Usage

    determiningSizePeak.Geom(xraw, scanmin = 1, scanmax = length(xraw@scantime),
      freq = 0.15, graphical = FALSE, smooth = TRUE, extended = FALSE,
      percentSol = NULL)

### Arguments

`xraw` | An xcmsRaw object as returned by `xcmsRaw`.
`scanmin` | The minimum scan to consider for peak detection.
`scanmax` | the maximum scan to consider. injection peak detection.
`freq` | The degrees of smoothing used on the TIC, corresponding to the cutting frequency of the blackman windowed sync filter.
`graphical` | should the resulting peak be plotted.
`smooth` | Should the TIC be smoothed, recommended.
`extended` | In case of very long tailing, shloud the research be extended.
`percentSol` | If extended is TRUE, the limiting level of solvent for

### Value

A triplet composed of c(left limit,right limit, maximum) of the estimated injection peak.

### Examples

    if(require(plasFIA)){
      #Getting the path of a file.
      path_raw <- list.files(system.file(package="plasFIA","mzML"),full.names=TRUE)[2]

      #Opening the file with xcms
      xraw <- xcmsRaw(path_raw)

      #Getting a first approximation of injection peak;
      sp <- determiningSizePeak.Geom(xraw)
    }

[Package proFIA version 1.13.0 Index]