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>.
Versions across snapshots
| Version | Repository | File | Size |
|---|---|---|---|
1.6.2 |
rolling linux/jammy R-4.5 | metabodecon_1.6.2.tar.gz |
3.2 MiB |
1.6.2 |
rolling linux/noble R-4.5 | metabodecon_1.6.2.tar.gz |
3.2 MiB |
1.6.2 |
rolling source/ R- | metabodecon_1.6.2.tar.gz |
3.2 MiB |
1.6.2 |
latest linux/jammy R-4.5 | metabodecon_1.6.2.tar.gz |
3.2 MiB |
1.6.2 |
latest linux/noble R-4.5 | metabodecon_1.6.2.tar.gz |
3.2 MiB |
1.6.2 |
latest source/ R- | metabodecon_1.6.2.tar.gz |
3.2 MiB |
1.6.2 |
2026-04-26 source/ R- | metabodecon_1.6.2.tar.gz |
3.2 MiB |
1.6.2 |
2026-04-23 source/ R- | metabodecon_1.6.2.tar.gz |
3.2 MiB |
1.2.6 |
2025-04-20 source/ R- | metabodecon_1.2.6.tar.gz |
3.0 MiB |