Calculate lorentz curves for each analyzed spectrum

The MetaboDecon1D package also comprise the additional function calculate_lorentz_curves() to calculate the lorentz curves of each investigated spectrum.

Usage

calculate_lorentz_curves(deconv_result, number_of_files = NA)

Arguments

deconv_result

Saved result of the MetaboDecon1D() function

number_of_files

Number of spectra to analyze

Value

One spectrum: matrix containing the generated Lorentz curves. Each row depicts one Lorentz curve. More spectra: list containing the matrix with the generated Lorentz curve. Each matrix corresponds to one spectrum and each row in the matrix depicts one Lorentz curve.

See also

MetaboDecon1D, plot_triplets, plot_lorentz_curves_save_as_png, plot_spectrum_superposition_save_as_png

Examples

if (FALSE) {
# Load one spectrum (Bruker format)
result <- MetaboDecon1D(
  filepath="load_example_path",
  filename="urine",
  file_format="bruker"
)
lorentz_curves <- calculate_lorentz_curves(result)

# Load all spectra (Bruker format) of choosen folder
result <- MetaboDecon1D(filepath="load_example_path", file_format="bruker")
# Calculate Lorentz curves of all investigated spectra
lorentz_curves <- calculate_lorentz_curves(result)
# Save matrix containing all Lorentz curves of first spectrum
lorentz_curves_first_spectrum <- lorentz_curves[[1]]
# Calculate Lorentz curves of one certain investigated spectrum
lorentz_curves_spectrum1 <- calculate_lorentz_curves(
  result$urine
)
}