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Public API

Metabodecon’s Public User Interface

generate_lorentz_curves()
generate_lorentz_curves
download_example_datasets()
Download metabodecon Example Datasets
datadir()
Return path to metabodecon's data directory

Plotting Functions

Functions to plot the results of the deconvolution

plot_lorentz_curves_save_as_png()
Plot lorentz curves for variable range
plot_spectrum_superposition_save_as_png()
Plot spectrum approx for variable range
plot_triplets()
Function to plot peak triplets for variable range

Internal

Internal Helper Functions. These function are exported but should not be used directly by the user. The main reason they are documented here is so that functions from the Public API can reference them when implementation details are explained.

datadir_persistent()
Persistent Data Directory
datadir_temp()
Temporary Data Directory
calculate_lorentz_curves()
Calculate lorentz curves for each analyzed spectrum
combine_peaks()
combine_peaks
deconvolution()
Deconvolute one single spectrum
dohCluster()
dohCluster
gen_feat_mat()
gen_feat_mat
get_ppm_range()
get_ppm_range
speaq_align()
speaq_align
tempdir()
Temporary Session Directory

Deprecated

Deprecated functions. These functions are no longer used by the package and are only kept for backwards compatibility. They will be removed in future versions of the package.

MetaboDecon1D()
The MetaboDecon1D Main Function
show_license()
Show terms and conditions of license
get_data_dir()
Retrieve directory path of an example dataset