plot_spectrum_superposition_save_as_png: Plot spectrum approx for variable range

In metabodecon: Deconvolution and Alignment of 1d NMR Spectra

Plot spectrum approx for variable range

Description

Plots the original spectrum and the superposition of all generated Lorentz curves and saves the result as png under the specified filepath.

Superseded by plot_spectrum() since metabodecon v1.2.0. Will be replaced with v2.

Usage

plot_spectrum_superposition_save_as_png(
  deconv_result,
  x_range = c(),
  y_range = c(),
  out_dir = ".",
  ask = TRUE
)

Arguments

deconv_result	Saved result of the MetaboDecon1D() function
x_range	Row vector with two entries consisting of the ppm start and the ppm end value to scale the range of the x-axis (optional)
y_range	Row vector with two entries consisting of the ppm start and the ppm end value to scale the range of the y-axis (optional)
out_dir	Path to the directory where the png files should be saved. Default is the current working directory.
ask	Logical value. Whether to ask for confirmation from the user before writing files to disk.

Value

NULL, called for side effects.

Author(s)

2020-2021 Martina Haeckl: initial version.

See Also

MetaboDecon1D(), calculate_lorentz_curves(), plot_triplets(), plot_lorentz_curves_save_as_png()

Examples

sim <- metabodecon_file("bruker/sim_subset")
sim_decon <- generate_lorentz_curves_sim(sim)
png_dir <- tmpdir("sim_decon/pngs", create = TRUE)
plot_spectrum_superposition_save_as_png(sim_decon, out_dir = png_dir, ask = FALSE)
dir(png_dir, full.names = TRUE)

metabodecon documentation built on Nov. 5, 2025, 7:12 p.m.