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      <h1>
  Metabolism data set used for checking the software quality of KinGUI
</h1>

<div class="row">
  <div class="span8">
    <h2>Usage</h2>
    <pre><div>data(schaefer07_complex_case)</div></pre>
        
    <div class="Description">
      <h2>Description</h2>

      <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>
  
    </div>

    <div class="Format">
      <h2>Format</h2>

      <p>The data set is a data frame with 8 observations on the following 6 variables.
  <dl>
    <dt><code>time</code></dt><dd>a numeric vector</dd></p>
  
      <p><dt><code>parent</code></dt><dd>a numeric vector</dd></p>
  
      <p><dt><code>A1</code></dt><dd>a numeric vector</dd></p>
  
      <p><dt><code>B1</code></dt><dd>a numeric vector</dd></p>
  
      <p><dt><code>C1</code></dt><dd>a numeric vector</dd></p>
  
      <p><dt><code>A2</code></dt><dd>a numeric vector</dd></p>
  
      <p></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'>data &lt;- mkin_wide_to_long(schaefer07_complex_case, time = &quot;time&quot;)
model &lt;- mkinmod(
  parent = list(type = &quot;SFO&quot;, to = c(&quot;A1&quot;, &quot;B1&quot;, &quot;C1&quot;), sink = FALSE),
  A1 = list(type = &quot;SFO&quot;, to = &quot;A2&quot;),
  B1 = list(type = &quot;SFO&quot;),
  C1 = list(type = &quot;SFO&quot;),
  A2 = list(type = &quot;SFO&quot;), use_of_ff = &quot;max&quot;)
</div>
<strong class='message'>Successfully compiled differential equation model from auto-generated C code.</strong>
<div class='input'>## Not run: mkinfit(model, data, plot=TRUE)
</div></pre>
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