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Metabodecon introduces a set of classes to highlight the presence of certain elements in corresponding objects.

The order of elements may vary between different versions of Metabodecon, thus elements should always be accessed by name, for example, using x$si or x[["cs"]]. A short description of each class is given in the listing below.

  • spectrum: One NMR spectrum

  • decon0: One deconvoluted NMR spectrum stored in MetaboDecon1D() format

  • decon1: One deconvoluted NMR spectrum stored in generate_lorentz_curves() format

  • decon2: One deconvoluted NMR spectrum stored in deconvolute() format

  • align: One aligned NMR spectrum

The classes mentioned above represent individual objects, such as a single spectrum, deconvolution, or alignment. However, it is often useful to describe collections of these objects, such as a list of spectra or deconvolutions. Therefore, for each individual class, a corresponding "collection" class is provided. These collection classes are named: spectra, decons0, decons1, decons2, and aligns.

More details can be found in Metabodecon's online documentation at spang-lab.github.io/metabodecon/articles/Metabodecon-Classes.