enviGCMS (version 0.7.1)

GetIntegration: GetIntegration was mainly used for get the integration of certain ion's chromatogram data and plot the data

Description

GetIntegration was mainly used for get the integration of certain ion's chromatogram data and plot the data

Usage

GetIntegration(
  data,
  rt = c(8.3, 9),
  n = 5,
  m = 5,
  slope = c(2, 2),
  baseline = 10,
  noslope = TRUE,
  smoothit = TRUE,
  half = FALSE
)

Value

integration data such as peak area, peak height, signal and the slope data.

Arguments

data

file should be a dataframe with the first column RT and second column intensity of the SIM ions.

rt

a rough RT range contained only one peak to get the area

n

points in the moving average smooth box, default value is 5

m

numbers of points for regression to get the slope

slope

the threshold value for start/stop peak as percentage of max slope

baseline

numbers of the points for the baseline of the signal

noslope

logical, if using a horizon line to get area or not

smoothit

logical, if using an average smooth box or not. If using, n will be used

half

logical, if using the left half peak to calculate the area

Examples

if (FALSE) {
list <- GetIntegration(data)
}