binning {ASICS} | R Documentation |
Apply a binning function on a spectrum.
binning(spectra, bin = 0.01, exclusion.areas = matrix(c(4.5, 5.1), ncol = 2), ncores = 1)
spectra |
Data frame with spectra in columns and chemical shifts in rows. Colnames of this data frame correspond to pure metabolite names and rownames to chemical shift grid (in ppm). |
bin |
Numeric value specifying the bin width. |
exclusion.areas |
Definition domain of spectra that have to be excluded of the analysis (ppm). By default, the water region is excluded (4.5-5.1 ppm). |
ncores |
Number of cores used in parallel evaluation. Default to
|
A data frame with normalised spectra in columns and buckets in rows (bucket names correspond to the center of the bucket).
current_path <- file.path(system.file("extdata", package = "ASICS"), "spectra_example.txt") spectra_data <- read.table(current_path, header = TRUE, row.names = 1) spectra_bin <- binning(spectra_data, bin = 0.01)