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authorJohannes Ranke <jranke@uni-bremen.de>2016-10-06 09:19:21 +0200
committerJohannes Ranke <jranke@uni-bremen.de>2016-10-06 09:19:21 +0200
commit38f9e15f0c972c1516ae737a2bca8d7789581bbd (patch)
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+
+ <p>This dataset was used for a comparison of KinGUI and ModelMaker to check the
+ software quality of KinGUI in the original publication (Schäfer et al., 2007).
+ The results from the fitting are also included.</p>
+
+
+ <pre><span class='fu'>data</span>(<span class='no'>schaefer07_complex_case</span>)</pre>
+
+ <div class="Format">
+ <h2>Format</h2>
+
+ <p>The data set is a data frame with 8 observations on the following 6 variables.
+ <dl class='dl-horizontal'>
+ <dt><code>time</code></dt><dd>a numeric vector</dd>
+ <dt><code>parent</code></dt><dd>a numeric vector</dd>
+ <dt><code>A1</code></dt><dd>a numeric vector</dd>
+ <dt><code>B1</code></dt><dd>a numeric vector</dd>
+ <dt><code>C1</code></dt><dd>a numeric vector</dd>
+ <dt><code>A2</code></dt><dd>a numeric vector</dd>
+ </dl></p>
+ <p>The results are a data frame with 14 results for different parameter values</p>
+ </div>
+
+ <div class="References">
+ <h2>References</h2>
+
+ <p>Schäfer D, Mikolasch B, Rainbird P and Harvey B (2007). KinGUI: a new kinetic
+ software tool for evaluations according to FOCUS degradation kinetics. In: Del
+ Re AAM, Capri E, Fragoulis G and Trevisan M (Eds.). Proceedings of the XIII
+ Symposium Pesticide Chemistry, Piacenza, 2007, p. 916-923.</p>
+ </div>
+
+ <h2 id="examples">Examples</h2>
+ <pre class="examples"><div class='input'><span class='no'>data</span> <span class='kw'>&lt;-</span> <span class='fu'>mkin_wide_to_long</span>(<span class='no'>schaefer07_complex_case</span>, <span class='kw'>time</span> <span class='kw'>=</span> <span class='st'>"time"</span>)
+<span class='no'>model</span> <span class='kw'>&lt;-</span> <span class='fu'>mkinmod</span>(
+ <span class='kw'>parent</span> <span class='kw'>=</span> <span class='fu'>list</span>(<span class='kw'>type</span> <span class='kw'>=</span> <span class='st'>"SFO"</span>, <span class='kw'>to</span> <span class='kw'>=</span> <span class='fu'>c</span>(<span class='st'>"A1"</span>, <span class='st'>"B1"</span>, <span class='st'>"C1"</span>), <span class='kw'>sink</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>),
+ <span class='kw'>A1</span> <span class='kw'>=</span> <span class='fu'>list</span>(<span class='kw'>type</span> <span class='kw'>=</span> <span class='st'>"SFO"</span>, <span class='kw'>to</span> <span class='kw'>=</span> <span class='st'>"A2"</span>),
+ <span class='kw'>B1</span> <span class='kw'>=</span> <span class='fu'>list</span>(<span class='kw'>type</span> <span class='kw'>=</span> <span class='st'>"SFO"</span>),
+ <span class='kw'>C1</span> <span class='kw'>=</span> <span class='fu'>list</span>(<span class='kw'>type</span> <span class='kw'>=</span> <span class='st'>"SFO"</span>),
+ <span class='kw'>A2</span> <span class='kw'>=</span> <span class='fu'>list</span>(<span class='kw'>type</span> <span class='kw'>=</span> <span class='st'>"SFO"</span>), <span class='kw'>use_of_ff</span> <span class='kw'>=</span> <span class='st'>"max"</span>)</div><div class='output'><strong class='text-info'>Successfully compiled differential equation model from auto-generated C code.</strong></div><div class='input'><span class='co'>## Not run: mkinfit(model, data, plot=TRUE)</span></div></pre>
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