resASICS-class

An S4 class to represent results of ASICS.

With a set of pure metabolite spectra, ASICS quantifies
metabolites concentration in a complex spectrum. The identification of
metabolites is performed by fitting a mixture model to the spectra of the
library with a sparse penalty. The method and its statistical properties are
described in Tardivel et al. (2017) <doi:10.1007/s11306-017-1244-5>.

Ga<c3><ab>lle Lefort

ASICS

Automatic Statistical Identification in Complex Spectra

R<c3><a9>mi Sevien

Patrick Tardivel

Nathalie Villa-Vialaneix

resASICS-class function

<dl class="dl-horizontal">
<dt><code>original_mixture</code></dt><dd>original spectrum</dd></dl><dt><code>reconstituted_mixture</code></dt><dd>reconstituted spectrum with estimated
concentrations</dd><dt><code>ppm_grid</code></dt><dd>grid (definition domain) of the spectrum (in ppm)</dd><dt><code>present_metabolites</code></dt><dd>a data frame with identified metabolites and their
relative concentrations</dd>

resASICS-class: An S4 class to represent results of ASICS.

Description

Arguments

Slots

See Also