Streamlining spectral data processing and modeling for spectroscopy applications
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Projection (VIP) scores, mean replicate spectra (absorbance) per sample_id,
and the preprocessed spectra. — plot_pls_vip"><meta property="og:description" content="Plot stacked ggplot2 graphs of VIP for the final
PLS regression model output of the calibration (training) data set for the
final number of components, raw (replicate mean) spectra, and preprocessed
spectra. Regions with VIP &amp;gt; 1 are highlighted across the stacked graphs
in beige colour rectangles. VIP calculation is implemented as described in
Chong, I.-G., and Jun, C.-H. (2005). Performance of some variable selection
methods when multicollinearity is present. Chemometrics and Intelligent
Laboratory Systems, 78(1--2), 103--112. https://doi.org/10.1016/j.chemolab.2004.12.011"><meta name="robots" content="noindex"><!-- mathjax --><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script><script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></script><!--[if lt IE 9]>
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<h1>Plot stacked ggplot2 graphs with the Variable Importance for the
Projection (VIP) scores, mean replicate spectra (absorbance) per sample_id,
and the preprocessed spectra.</h1>
<small class="dont-index">Source: <a href="https://github.com/philipp-baumann/simplerspec/blob/HEAD/R/pls-vip.R" class="external-link"><code>R/pls-vip.R</code></a></small>
<div class="hidden name"><code>plot_pls_vip.Rd</code></div>
</div>
<div class="ref-description">
<p>Plot stacked ggplot2 graphs of VIP for the final
PLS regression model output of the calibration (training) data set for the
final number of components, raw (replicate mean) spectra, and preprocessed
spectra. Regions with VIP &gt; 1 are highlighted across the stacked graphs
in beige colour rectangles. VIP calculation is implemented as described in
Chong, I.-G., and Jun, C.-H. (2005). Performance of some variable selection
methods when multicollinearity is present. Chemometrics and Intelligent
Laboratory Systems, 78(1--2), 103--112. https://doi.org/10.1016/j.chemolab.2004.12.011</p>
</div>
<div id="ref-usage">
<div class="sourceCode"><pre class="sourceCode r"><code><span><span class="fu">plot_pls_vip</span><span class="op">(</span><span class="va">mout</span>, y1 <span class="op">=</span> <span class="st">"spc_mean"</span>, y2 <span class="op">=</span> <span class="st">"spc_pre"</span>,</span>
<span> by <span class="op">=</span> <span class="st">"sample_id"</span>,</span>
<span> xlab <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/expression.html" class="external-link">expression</a></span><span class="op">(</span><span class="fu"><a href="https://rdrr.io/r/base/paste.html" class="external-link">paste</a></span><span class="op">(</span><span class="st">"Wavenumber ["</span>, <span class="va">cm</span><span class="op">^</span><span class="op">-</span><span class="fl">1</span>, <span class="st">"]"</span><span class="op">)</span><span class="op">)</span>,</span>
<span> ylab1 <span class="op">=</span> <span class="st">"Absorbance"</span>, ylab2 <span class="op">=</span> <span class="st">"Preprocessed Abs."</span>,</span>
<span> alpha <span class="op">=</span> <span class="fl">0.2</span><span class="op">)</span></span></code></pre></div>
</div>
<div id="arguments">
<h2>Arguments</h2>
<dl><dt>mout</dt>
<dd><p>Model output list that is returned from
<code><a href="fit_pls.html">simplerspec::fit_pls()</a></code>. This object contains a nested list with
the <code><a href="https://rdrr.io/pkg/caret/man/train.html" class="external-link">caret::train()</a></code> object (class <code>train</code>), based on which
VIPs at finally selected number of PLS components are computed.</p></dd>
<dt>y1</dt>
<dd><p>Character vector of list-column name in
<code>mout$data$calibration</code>, where spectra for bottom graph are extracted.
Default is <code>"spc_mean"</code>, which plots the mean calibration spectra after
resampling.</p></dd>
<dt>y2</dt>
<dd><p>Character string of list-column name in
<code>mout$data$calibration</code>, where spectra for bottom graph are extracted.
Default is <code>"spc_pre"</code>, which plots the preprocessed calibration
spectra after resampling.</p></dd>
<dt>by</dt>
<dd><p>Character string that is used to assign spectra to the same group
and therefore ensures that all spectra are plotted with the same colour.
Default is <code>"sample_id"</code></p></dd>
<dt>xlab</dt>
<dd><p>Character string of X axis title for shared x axis of stacked
graphs. Default is <code>expression(paste("Wavenumber [", cm^-1, "]"))</code></p></dd>
<dt>ylab1</dt>
<dd><p>Y axis title of bottom spectrum. Default is <code>"Absorbance"</code>.</p></dd>
<dt>ylab2</dt>
<dd><p>Y axis title of bottom spectrum. Default is
<code>"Preprocessed Abs."</code>.</p></dd>
<dt>alpha</dt>
<dd><p>Double between 0 and 1 that defines transparency of spectra
lines in returned graph (ggplot plot object).</p></dd>
</dl></div>
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