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>.
Version: 1.2.6 Depends: R (≥ 3.5.0) Imports: data.table, mathjaxr, readJDX, speaq, toscutil (≥ 2.8.0), withr Suggests: devtools, digest, knitr, lifecycle, microbenchmark, pkgload, rmarkdown, usethis, vdiffr, testthat (≥ 3.0.0) Published: 2025-01-21 DOI: 10.32614/CRAN.package.metabodecon Author: Tobias Schmidt [aut, cre, cph], Martina Haeckl [aut, cph], Yanren Linda Hu [ctb], Wolfram Gronwald [aut, cph] Maintainer: Tobias Schmidt <tobias.schmidt331 at gmail.com> BugReports: https://github.com/spang-lab/metabodecon/issues License: GPL (≥ 3) URL: https://github.com/spang-lab/metabodecon/, https://spang-lab.github.io/metabodecon/ NeedsCompilation: no Language: en-US Materials: NEWS CRAN checks: metabodecon results Documentation: Downloads: Linking:Please use the canonical form https://CRAN.R-project.org/package=metabodecon to link to this page.
RetroSearch is an open source project built by @garambo | Open a GitHub Issue
Search and Browse the WWW like it's 1997 | Search results from DuckDuckGo
HTML:
3.2
| Encoding:
UTF-8
| Version:
0.7.4