<p>The SAP Dataset consists of a single 'Simple-As-Possible' (SAP) spectrum. The
purpose of the SAP spectrum is to provide a straightforward example that can
be used to test and understand the deconvolution algorithm in detail.</p>

datasets

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>.

Tobias Schmidt

metabodecon

Deconvolution and Alignment of 1d NMR Spectra

Martina Haeckl

Yanren Linda Hu

Wolfram Gronwald

sap function

<p>An object of class <code>spectra</code> of length 1.</p>

sap: The SAP Dataset

Description

Usage

Arguments

Format

Details