setPPMbounds

Set the PPM bounds for proton (1H) and carbon (13C) to consider in the processing step and then to store in the specMat object

Perform the complete processing of a set of proton nuclear magnetic resonance spectra from the free induction decay (raw data) and based on a processing sequence (macro-command file). An additional file specifies all the spectra to be considered by associating their sample code as well as the levels of experimental factors to which they belong. More detail can be found in Jacob et al. (2017) <doi:10.1007/s11306-017-1178-y>.

Daniel Jacob

Rnmr1D

Perform the Complete Processing of a Set of Proton Nuclear
Magnetic Resonance Spectra

Catherine Deborde

Marie Lefebvre

setPPMbounds function

<dl><dt>proton</dt>
<dd>Minimal and Maximal ppm value for 1H NMR</dd>
<dt>carbon</dt>
<dd>Minimal and Maximal ppm value for 13C NMR</dd></dl>

Arguments

setPPMbounds — setPPMbounds

<dl>

<dt>proton</dt>
<dd>Minimal and Maximal ppm value for 1H NMR</dd>


<dt>carbon</dt>
<dd>Minimal and Maximal ppm value for 13C NMR</dd>

</dl>

setPPMbounds: setPPMbounds

Description

Usage

Arguments