ModelGaussPeak: Create and modify parameters of an artificial chromatographic...

In CorrectOverloadedPeaks: Correct Overloaded Peaks from GC-APCI-MS Data

Create and modify parameters of an artificial chromatographic peak.

Description

ModelGaussPeak will create a potentially overloaded Gaussian peak of requested width and height.

Usage

ModelGaussPeak(
  height = 10^7,
  width = 4,
  scan_rate = 10,
  e = 0,
  ds = 10^7,
  base_line = 10^2
)

Arguments

height	True peak height (=intensity counts).
width	Peak width in time units (preferably seconds).
scan_rate	Is determining the resolution of data points per time unit (preferably seconds).
e	Error term giving the percent amount of deviation from the ideal Gaussian curve for individual data points.
ds	Detector saturation. Intensity values will be cut off at this point if requested.
base_line	Defines if peak is supposed to have a higher base level.

Details

The main task of ModelGaussPeak is to create peak data in Gaussian shape for testing. Width is meant in the chromatographic sense, i.e. the time between peak front and tail hitting the baseline.

Value

Dataframe with columns 'rt' and 'int'.

Examples

ylim <- c(0,10^7)
par(mfrow=c(1,5))
pk <- ModelGaussPeak(height=10^7, width=4, scan_rate=10, e=0, ds=10^7, base_line=10^2)
plot(pk,ylim=ylim,main="standard")
pk <- ModelGaussPeak(height=10^7, width=4, scan_rate=10, e=0, ds=8*10^6, base_line=10^2)
plot(pk,ylim=ylim,main="flat top")
pk <- ModelGaussPeak(height=10^7, width=4, scan_rate=10, e=0, ds=8*10^6, base_line=10^5)
plot(pk,ylim=ylim,main="high baseline")
pk <- ModelGaussPeak(height=10^7, width=4, scan_rate=10, e=0.05, ds=8*10^6, base_line=10^5)
plot(pk,ylim=ylim,main="e=5%")
pk <- ModelGaussPeak(height=10^7, width=4, scan_rate=5, e=0.05, ds=8*10^6, base_line=10^5)
plot(pk,ylim=ylim,main="sr=5")

CorrectOverloadedPeaks documentation built on Sept. 9, 2023, 1:07 a.m.