This package is considered a duplicate. The official version of this package is found at:https://spang-lab.r-universe.dev/metabodecon

Package: metabodecon 1.6.2

Tobias Schmidt

metabodecon: Deconvolution and Alignment of 1d NMR Spectra

A framework for deconvolution, alignment and postprocessing of 1-dimensional (1d) nuclear magnetic resonance (NMR) spectra, resulting in a data matrix of aligned signal integrals. The deconvolution part uses the algorithm described in Koh et al. (2009) <doi:10.1016/j.jmr.2009.09.003>. The alignment part is based on functions from the 'speaq' package, described in Beirnaert et al. (2018) <doi:10.1371/journal.pcbi.1006018> and Vu et al. (2011) <doi:10.1186/1471-2105-12-405>. A detailed description and evaluation of an early version of the package, 'MetaboDecon1D v0.2.2', can be found in Haeckl et al. (2021) <doi:10.3390/metabo11070452>.

Authors:Tobias Schmidt [aut, cre, cph], Martina Haeckl [aut, cph], Yanren Linda Hu [ctb], Wolfram Gronwald [aut, cph]

metabodecon_1.6.2.tar.gz
metabodecon_1.6.2.zip(r-4.7-any)metabodecon_1.6.2.zip(r-4.6-any)metabodecon_1.6.2.zip(r-4.5-any)
metabodecon_1.6.2.tgz(r-4.6-any)metabodecon_1.6.2.tgz(r-4.5-any)
metabodecon_1.6.2.tar.gz(r-4.7-any)metabodecon_1.6.2.tar.gz(r-4.6-any)
metabodecon_1.6.2.tgz(r-4.6-emscripten)
manual.pdf |manual.html✨
DESCRIPTION |NEWS
card.svg |card.png
metabodecon/json (API)

# Install 'metabodecon' in R:

install.packages('metabodecon', repos = c('https://cranhaven.r-universe.dev', 'https://cloud.r-project.org'))

Bug tracker:https://github.com/spang-lab/metabodecon/issues

Pkgdown/docs site:https://spang-lab.github.io

Datasets:

sap - The SAP Dataset
sim - The Sim Dataset

On CRAN:

nmr deconvolution archived packages r-universe

2.70 score 5 stars 7 scripts 254 downloads 58 exports 67 dependencies

Last updated from:4f982c9134 (on package/metabodecon). Checks:6 ERROR, 3 OK. Indexed: no.

Target	Result	Time
linux-devel	ERROR	224
source / vignettes	OK	269
linux-release	OK	230
macos-release	ERROR	131
macos-oldrel	ERROR	142
windows-devel	ERROR	140
windows-release	ERROR	99
windows-oldrel	ERROR	106
wasm-release	OK	154

Exports:aaa_Get_Started align as_decon0 as_decon1 as_decon2 as_decons0 as_decons1 as_decons2 as_spectra as_spectrum calculate_lorentz_curves check_mdrb check_mdrb_deps combine_peaks convert_pos convert_width datadir datadir_persistent datadir_temp deconvolute dohCluster download_example_datasets draw_spectrum evalwith gen_feat_mat generate_lorentz_curves generate_lorentz_curves_sim get_data_dir get_ppm_range get_si_mat get_started install_mdrb is_align is_aligns is_decon0 is_decon1 is_decon2 is_decons0 is_decons1 is_decons2 is_spectra is_spectrum make_spectrum metabodecon_file MetaboDecon1D plot_lorentz_curves_save_as_png plot_spectra plot_spectrum plot_spectrum_superposition_save_as_png plot_triplets read_spectra read_spectrum simulate_spectrum speaq_align tmpdir transp tree width

Dependencies:askpass cli cluster codetools cpp11 curl data.table digest doRNG doSNOW farver foreach ggplot2 glue gridExtra gtable httr impute isoband iterators itertools jsonlite labeling lattice lifecycle magrittr MassSpecWavelet mathjaxr Matrix mime missForest openssl pillar pkgconfig plyr R6 randomForest ranger rbibutils RColorBrewer Rcpp RcppArmadillo RcppEigen RcppParallel Rdpack readJDX reshape2 Rfast rlang rngtools rvest S7 scales selectr snow speaq stringi stringr sys tibble toscutil utf8 vctrs viridisLite withr xml2 zigg

Get Started

Deconvolute spectra | Visualize deconvoluted spectra | Align deconvoluted spectra

Rendered fromGet_Started.Rmdusingknitr::rmarkdown

Last update: 2026-11-07
Started: 2026-11-07

Help page	Topics
Get URL of Metabodecon "Get Started" Page	aaa_Get_Started get_started
Align Spectra	align
Convert to a Metabodecon Object	as_decon0 as_decon1 as_decon2 as_decons0 as_decons1 as_decons2 as_metabodecon_class as_spectra as_spectrum
Calculate lorentz curves for each analyzed spectrum	calculate_lorentz_curves
Check Rust Backend Requirements	check_mdrb check_mdrb_deps
Combine Peaks	combine_peaks
Convert from unit A to unit B	convert_pos convert_width
Return path to metabodecon's data directory	datadir
Persistent Data Directory	datadir_persistent
Temporary Data Directory	datadir_temp
Deconvolute one or more NMR spectra	deconvolute
Cluster Based Peak Alignment	dohCluster
Download metabodecon Example Datasets	download_example_datasets
Draw Spectrum	draw_spectrum
Evaluate an expression with predefined global state	evalwith
Generate Feature Matrix.	gen_feat_mat
Deconvolute one or more NMR spectra	generate_lorentz_curves generate_lorentz_curves_sim
Retrieve directory path of an example dataset	get_data_dir
Get PPM Range covered by Spectra	get_ppm_range
Extract Matrix of aligned Signal Intensities	get_si_mat
Install Rust Backend	install_mdrb
Is an Object from a Metabodecon Class?	is_align is_aligns is_decon0 is_decon1 is_decon2 is_decons0 is_decons1 is_decons2 is_metabodecon_class is_spectra is_spectrum
Create a Spectrum Object	make_spectrum
Return Path to File or Directory in metabodecon Package	metabodecon_file
Deconvolute 1D NMR spectrum	MetaboDecon1D
Plot lorentz curves for variable range	plot_lorentz_curves_save_as_png
Plot Spectra	plot_spectra
Plot Spectrum	plot_spectrum
Plot spectrum approx for variable range	plot_spectrum_superposition_save_as_png
Plot peak triplets for variable range	plot_triplets
S3 Methods for Printing Metabodecon Objects	print.align print.aligns print.decon1 print.decon2 print.decons1 print.decons2 print.spectra print.spectrum print_methods
Read one or more spectra from Disk	read_spectra
Read one or more spectra from Disk	read_spectrum
The SAP Dataset	sap
The Sim Dataset	sim
Simulate a 1D NMR Spectrum	simulate_spectrum
Align Signals using 'speaq'	speaq_align
Temporary Session Directory	tmpdir
Make transparent	transp
Print the Structure of a Directory Tree	tree
Calculate the Width of a Numeric Vector	width

Package: metabodecon 1.6.2

metabodecon: Deconvolution and Alignment of 1d NMR Spectra

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Help Manual

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