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authorJohannes Ranke <jranke@uni-bremen.de>2019-09-18 13:03:50 +0200
committerJohannes Ranke <jranke@uni-bremen.de>2019-09-18 13:03:50 +0200
commite05656d57668688b971c28e32b4cfd4d3eac4662 (patch)
tree597df9a638c0ce68ae9efcb5b45d42b2f2927a15 /docs/articles/mkin.html
parent0818986e2d9a0e68d3d1de26ac381836e0cf5a6f (diff)
Correct and rebuild docs
- Reconcile docs and code for max_twa_parent - Correct links to docs in twa vignette - Static documentation rebuilt by pkgdown
Diffstat (limited to 'docs/articles/mkin.html')
-rw-r--r--docs/articles/mkin.html27
1 files changed, 16 insertions, 11 deletions
diff --git a/docs/articles/mkin.html b/docs/articles/mkin.html
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@@ -7,8 +7,9 @@
<meta name="viewport" content="width=device-width, initial-scale=1.0">
<title>Introduction to mkin • mkin</title>
<!-- jquery --><script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script><!-- Bootstrap --><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous">
-<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script><!-- Font Awesome icons --><link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/4.7.0/css/font-awesome.min.css" integrity="sha256-eZrrJcwDc/3uDhsdt61sL2oOBY362qM3lon1gyExkL0=" crossorigin="anonymous">
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+<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.7.1/css/v4-shims.min.css" integrity="sha256-6qHlizsOWFskGlwVOKuns+D1nB6ssZrHQrNj1wGplHc=" crossorigin="anonymous">
+<!-- clipboard.js --><script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script><!-- headroom.js --><script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.9.4/headroom.min.js" integrity="sha256-DJFC1kqIhelURkuza0AvYal5RxMtpzLjFhsnVIeuk+U=" crossorigin="anonymous"></script><script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.9.4/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script><!-- pkgdown --><link href="../pkgdown.css" rel="stylesheet">
<script src="../pkgdown.js"></script><meta property="og:title" content="Introduction to mkin">
<meta property="og:description" content="">
<meta name="twitter:card" content="summary">
@@ -82,13 +83,14 @@
<!--/.navbar -->
+
</header><div class="row">
<div class="col-md-9 contents">
<div class="page-header toc-ignore">
<h1>Introduction to mkin</h1>
<h4 class="author">Johannes Ranke</h4>
- <h4 class="date">2019-07-09</h4>
+ <h4 class="date">2019-09-18</h4>
<div class="hidden name"><code>mkin.Rmd</code></div>
@@ -102,7 +104,7 @@
<h1 class="hasAnchor">
<a href="#abstract" class="anchor"></a>Abstract</h1>
<p>In the regulatory evaluation of chemical substances like plant protection products (pesticides), biocides and other chemicals, degradation data play an important role. For the evaluation of pesticide degradation experiments, detailed guidance has been developed, based on nonlinear optimisation. The <code>R</code> add-on package <code>mkin</code> implements fitting some of the models recommended in this guidance from within R and calculates some statistical measures for data series within one or more compartments, for parent and metabolites.</p>
-<div class="sourceCode" id="cb1"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb1-1" title="1"><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/library">library</a></span>(<span class="st">"mkin"</span>, <span class="dt">quietly =</span> <span class="ot">TRUE</span>)</a>
+<div class="sourceCode" id="cb1"><pre class="sourceCode r"><code class="sourceCode r"><a class="sourceLine" id="cb1-1" title="1"><span class="kw"><a href="https://rdrr.io/r/base/library.html">library</a></span>(<span class="st">"mkin"</span>, <span class="dt">quietly =</span> <span class="ot">TRUE</span>)</a>
<a class="sourceLine" id="cb1-2" title="2"><span class="co"># Define the kinetic model</span></a>
<a class="sourceLine" id="cb1-3" title="3">m_SFO_SFO_SFO &lt;-<span class="st"> </span><span class="kw"><a href="../reference/mkinmod.html">mkinmod</a></span>(<span class="dt">parent =</span> <span class="kw"><a href="../reference/mkinsub.html">mkinsub</a></span>(<span class="st">"SFO"</span>, <span class="st">"M1"</span>),</a>
<a class="sourceLine" id="cb1-4" title="4"> <span class="dt">M1 =</span> <span class="kw"><a href="../reference/mkinsub.html">mkinsub</a></span>(<span class="st">"SFO"</span>, <span class="st">"M2"</span>),</a>
@@ -111,12 +113,12 @@
<a class="sourceLine" id="cb1-7" title="7"></a>
<a class="sourceLine" id="cb1-8" title="8"></a>
<a class="sourceLine" id="cb1-9" title="9"><span class="co"># Produce model predictions using some arbitrary parameters</span></a>
-<a class="sourceLine" id="cb1-10" title="10">sampling_times =<span class="st"> </span><span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/c">c</a></span>(<span class="dv">0</span>, <span class="dv">1</span>, <span class="dv">3</span>, <span class="dv">7</span>, <span class="dv">14</span>, <span class="dv">28</span>, <span class="dv">60</span>, <span class="dv">90</span>, <span class="dv">120</span>)</a>
+<a class="sourceLine" id="cb1-10" title="10">sampling_times =<span class="st"> </span><span class="kw"><a href="https://rdrr.io/r/base/c.html">c</a></span>(<span class="dv">0</span>, <span class="dv">1</span>, <span class="dv">3</span>, <span class="dv">7</span>, <span class="dv">14</span>, <span class="dv">28</span>, <span class="dv">60</span>, <span class="dv">90</span>, <span class="dv">120</span>)</a>
<a class="sourceLine" id="cb1-11" title="11">d_SFO_SFO_SFO &lt;-<span class="st"> </span><span class="kw"><a href="../reference/mkinpredict.html">mkinpredict</a></span>(m_SFO_SFO_SFO,</a>
-<a class="sourceLine" id="cb1-12" title="12"> <span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/c">c</a></span>(<span class="dt">k_parent =</span> <span class="fl">0.03</span>,</a>
-<a class="sourceLine" id="cb1-13" title="13"> <span class="dt">f_parent_to_M1 =</span> <span class="fl">0.5</span>, <span class="dt">k_M1 =</span> <span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/Log">log</a></span>(<span class="dv">2</span>)<span class="op">/</span><span class="dv">100</span>,</a>
-<a class="sourceLine" id="cb1-14" title="14"> <span class="dt">f_M1_to_M2 =</span> <span class="fl">0.9</span>, <span class="dt">k_M2 =</span> <span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/Log">log</a></span>(<span class="dv">2</span>)<span class="op">/</span><span class="dv">50</span>),</a>
-<a class="sourceLine" id="cb1-15" title="15"> <span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/c">c</a></span>(<span class="dt">parent =</span> <span class="dv">100</span>, <span class="dt">M1 =</span> <span class="dv">0</span>, <span class="dt">M2 =</span> <span class="dv">0</span>),</a>
+<a class="sourceLine" id="cb1-12" title="12"> <span class="kw"><a href="https://rdrr.io/r/base/c.html">c</a></span>(<span class="dt">k_parent =</span> <span class="fl">0.03</span>,</a>
+<a class="sourceLine" id="cb1-13" title="13"> <span class="dt">f_parent_to_M1 =</span> <span class="fl">0.5</span>, <span class="dt">k_M1 =</span> <span class="kw"><a href="https://rdrr.io/r/base/Log.html">log</a></span>(<span class="dv">2</span>)<span class="op">/</span><span class="dv">100</span>,</a>
+<a class="sourceLine" id="cb1-14" title="14"> <span class="dt">f_M1_to_M2 =</span> <span class="fl">0.9</span>, <span class="dt">k_M2 =</span> <span class="kw"><a href="https://rdrr.io/r/base/Log.html">log</a></span>(<span class="dv">2</span>)<span class="op">/</span><span class="dv">50</span>),</a>
+<a class="sourceLine" id="cb1-15" title="15"> <span class="kw"><a href="https://rdrr.io/r/base/c.html">c</a></span>(<span class="dt">parent =</span> <span class="dv">100</span>, <span class="dt">M1 =</span> <span class="dv">0</span>, <span class="dt">M2 =</span> <span class="dv">0</span>),</a>
<a class="sourceLine" id="cb1-16" title="16"> sampling_times)</a>
<a class="sourceLine" id="cb1-17" title="17"></a>
<a class="sourceLine" id="cb1-18" title="18"><span class="co"># Generate a dataset by adding normally distributed errors with</span></a>
@@ -129,7 +131,7 @@
<a class="sourceLine" id="cb1-25" title="25">f_SFO_SFO_SFO &lt;-<span class="st"> </span><span class="kw"><a href="../reference/mkinfit.html">mkinfit</a></span>(m_SFO_SFO_SFO, d_SFO_SFO_SFO_err[[<span class="dv">1</span>]], <span class="dt">quiet =</span> <span class="ot">TRUE</span>)</a>
<a class="sourceLine" id="cb1-26" title="26"></a>
<a class="sourceLine" id="cb1-27" title="27"><span class="co"># Plot the results separately for parent and metabolites</span></a>
-<a class="sourceLine" id="cb1-28" title="28"><span class="kw"><a href="../reference/plot.mkinfit.html">plot_sep</a></span>(f_SFO_SFO_SFO, <span class="dt">lpos =</span> <span class="kw"><a href="https://www.rdocumentation.org/packages/base/topics/c">c</a></span>(<span class="st">"topright"</span>, <span class="st">"bottomright"</span>, <span class="st">"bottomright"</span>))</a></code></pre></div>
+<a class="sourceLine" id="cb1-28" title="28"><span class="kw"><a href="../reference/plot.mkinfit.html">plot_sep</a></span>(f_SFO_SFO_SFO, <span class="dt">lpos =</span> <span class="kw"><a href="https://rdrr.io/r/base/c.html">c</a></span>(<span class="st">"topright"</span>, <span class="st">"bottomright"</span>, <span class="st">"bottomright"</span>))</a></code></pre></div>
<p><img src="mkin_files/figure-html/unnamed-chunk-2-1.png" width="768"></p>
</div>
<div id="background" class="section level1">
@@ -246,17 +248,20 @@
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+
<footer><div class="copyright">
<p>Developed by Johannes Ranke.</p>
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- <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.3.0.</p>
+ <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.4.1.</p>
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+
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