read_chrom {RGCxGC}

Read two-dimensional chromatogram

Description

'read_GCxGC' returns a raw_GCxGC with the sample name, the modulation time, the chromatographic time range and the two-dimensional chromatogram.

Usage

read_chrom(
  name,
  mod_time,
  sam_rate,
  per_eval = 0.1,
  x_cut = NULL,
  y_cut = NULL,
  verbose = TRUE
)

Arguments

name

a name of the NetCDF file where the data is allocated.

mod_time

a integer, the modulation time of the chromatographic run.

sam_rate

a integer, the sampling rate of the equipment. If sam_rate is missing, the sampling rate is calculated by the dividing 1 by the difference of two adjacent scan time.

per_eval

a double between 0 and 1, with the percentage of the run time records to be evaluated if the sampling rate is homogeneous.

x_cut

a vector with two elements representing the retention time range to be mantained in the first dimension.

y_cut

a vector with two elements representing the retention time range to be mantained in the second dimension.

verbose

a logical indicating if the information of chromatogram is printted in the console.

Details

This function reads the NetCDF file and retrieves values in the total_intensity array. Then, with the provided sampling rate and modulation time, the chromatogram is folded into a numerical matrix, representing the two-dimensional chromatogram. This function is an adaptation of the presented routine by Skov and Bro (2008).

References

Skov T, Bro R (2008). “Solving fundamental problems in chromatographic analysis.” Analytical and Bioanalytical Chemistry, 390(1), 281–285.

Examples

 
GB08_fl <- system.file("extdata", "08GB.cdf", package = "RGCxGC")
GB08 <- read_chrom(GB08_fl, 5L)