baselineCorrection {ASICS} | R Documentation |
Apply a baseline correction to a spectra with the algorithm described in Wang et al. (2013).
baselineCorrection(spectra, 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). |
ncores |
Number of cores used in parallel evaluation. Default to
|
A data frame with baseline corrected spectra in columns and chemical shifts (in ppm) in rows.
Wang, K.C., Wang, S.Y., Kuo, C.H., Tseng Y.J. (2013). Distribution-based classification method for baseline correction of metabolomic 1D proton nuclear magnetic resonance spectra. Analytical Chemistry, 85(2), 1231-1239.
current_path <- file.path(system.file("extdata", package = "ASICS"), "spectra_example.txt") spectra_data <- read.table(current_path, header = TRUE, row.names = 1) spectra_base_cor <- baselineCorrection(spectra_data)