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metabodeconplus 0.20.0

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@toscm toscm released this 09 Jul 19:32

First release of metabodeconplus, the continuation of the metabodecon package under a new name (derived from the metabodecon v2 line: deconvolution + alignment + modelling).

Highlights

  • Integrated 1D-NMR workflow: deconvolute(), align() (CluPA + RefPA), feature matrices (si_mat()/peak_mat()/bin700()), and classification models via fit_mdm(model=...) / benchmark().
  • Optional Rust backend (mdrb): install_mdrb() installs best-effort and prints clear guidance when no pre-built binary is available.
  • Fresh 0.x semver — as an unreleased package we make no backwards-compatibility promises yet.

Notes

  • The classic metabodecon (1.7.0) remains available separately.
  • Bundled example NMR datasets are hosted in the example-datasets-v1.6.3 release.
  • R CMD check --as-cran: 0 errors, 0 warnings; all GitHub Actions checks green.