convert_pos

convert_width

Converts positions/widths from unit A to unit B. If the direction of units A
and B is reversed, the width's sign will be reversed as well. To keep widths
strictly positive, wrap the result with <code><a href="/link/abs()?package=metabodecon&version=1.6.2" data-mini-rdoc="metabodecon::abs()">abs()</a></code>.

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

convert_pos function

<dl><dt>xa</dt>
<dd>A numeric vector specifying widths/positions in unit A.</dd>
<dt>ya, yb</dt>
<dd>A numeric vector specifying the positions of at least two points in unit A /
unit B.</dd></dl>

Arguments

2024-2025 Tobias Schmidt: initial version.

Author

Converts positions/widths from unit A to unit B. If the direction of units A
and B is reversed, the width's sign will be reversed as well. To keep widths
strictly positive, wrap the result with <code><a href='https://rdrr.io/r/base/MathFun.html'>abs()</a></code>.

Convert from unit A to unit B — convert_pos

<dl>

<dt>xa</dt>
<dd>A numeric vector specifying widths/positions in unit A.</dd>


<dt>ya, yb</dt>
<dd>A numeric vector specifying the positions of at least two points in unit A /
unit B.</dd>

</dl>

convert_pos: Convert from unit A to unit B

Description

Usage

Value

Arguments

Author

Examples