`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)
#> Warning: The last 51 signals will be omitted
#> Warning: data length [61051] is not a sub-multiple or multiple of the number of rows [500]
#> Retention time ranges:
#> 1D (min): 7.98 18.16
#> 2D (sec): 0 5
#> Acquisition rate: 100