Baseline correction for 1D NMR spectra

Non-linear baseline correction for NMR spectra based on asymetric least squares. This function estimates smooth and non-linear baseline trends for each spectrum. The baseline is then subtracted from the respective spectrum and the remainder is returned. For more infor on smoothing parameter lambda, check out asysm.

bline(X, lambda = 1e+07, iter_max = 30)

bcor(X, lambda = 1e+07, iter_max = 30)

Arguments

X

num matrix or data.frame, NMR data with rows representing spectra
lambda,

num smoothing paramter
iter_max

num, maximum number of iterations

Value

Baseline corrected NMR matrix an with same dimension as input matrix.

See also

asysm

Other NMR: alignSegment(), excise1d(), get.idx(), lw(), matspec(), noise.est(), normErectic(), plotload(), ppick(), read1d_raw(), read1d(), specload(), spec(), stocsy1d_metabom8-class, stocsy(), storm()

Author

torben.kimhofer@murdoch.edu.au

Examples

data(covid_raw)
X1_bc=bline(X[1,])

#> Warning: `bline` will be removed in future versions, please use `bcor` instead.
spec(X[1,], ppm, shift=c(3,4))

#> Warning: `arrange_()` is deprecated as of dplyr 0.7.0.
#> Please use `arrange()` instead.
#> See vignette('programming') for more help
#> This warning is displayed once every 8 hours.
#> Call `lifecycle::last_warnings()` to see where this warning was generated.
spec(X1_bc[1,], ppm, shift=c(3,4), add=TRUE)