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authorJohannes Ranke <jranke@uni-bremen.de>2015-11-09 09:05:15 +0100
committerJohannes Ranke <jranke@uni-bremen.de>2015-11-09 09:05:15 +0100
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+<title>synthetic_data_for_UBA_2014. mkin 0.9-41</title>
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+ <header>
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+
+ <h1>
+ Synthetic datasets for one parent compound with two metabolites
+</h1>
+
+<div class="row">
+ <div class="span8">
+ <h2>Usage</h2>
+ <pre><div>synthetic_data_for_UBA_2014</div></pre>
+
+ <div class="Description">
+ <h2>Description</h2>
+
+ <p>The 12 datasets were generated using four different models and three different
+ variance components. The four models are either the SFO or the DFOP model with either
+ two sequential or two parallel metabolites.</p>
+
+ <p>Variance component 'a' is based on a normal distribution with standard deviation of 3,
+ Variance component 'b' is also based on a normal distribution, but with a standard deviation of 7.
+ Variance component 'c' is based on the error model from Rocke and Lorenzato (1995), with the
+ minimum standard deviation (for small y values) of 0.5, and a proportionality constant of 0.07
+ for the increase of the standard deviation with y.</p>
+
+ <p>Initial concentrations for metabolites and all values where adding the variance component resulted
+ in a value below the assumed limit of detection of 0.1 were set to <code>NA</code>.</p>
+
+ <p>As an example, the first dataset has the title <code>SFO_lin_a</code> and is based on the SFO model
+ with two sequential metabolites (linear pathway), with added variance component 'a'.</p>
+
+ <p>Compare also the code in the example section to see the degradation models.</p>
+
+ </div>
+
+ <div class="Format">
+ <h2>Format</h2>
+
+ <p>A list containing datasets in the form internally used by the 'gmkin' package.
+ The list has twelfe components. Each of the components is one dataset that has,
+ among others, the following components
+ <dl>
+ <dt><code>title</code></dt><dd>The name of the dataset, e.g. <code>SFO_lin_a</code></dd></p>
+
+ <p><dt><code>data</code></dt><dd>A data frame with the data in the form expected by <code><a href='mkinfit.html'>mkinfit</a></code></dd></p>
+
+ <p></dl></p>
+
+ <p></p>
+
+ </div>
+
+ <div class="Source">
+ <h2>Source</h2>
+
+ <p>Ranke (2014) Prüfung und Validierung von Modellierungssoftware als Alternative
+ zu ModelMaker 4.0, Umweltbundesamt Projektnummer 27452</p>
+
+ <p>Rocke, David M. und Lorenzato, Stefan (1995) A two-component model for
+ measurement error in analytical chemistry. Technometrics 37(2), 176-184.</p>
+
+ </div>
+
+ <h2 id="examples">Examples</h2>
+ <pre class="examples"><div class='input'>## Not run:
+# m_synth_SFO_lin &lt;- mkinmod(parent = list(type = &quot;SFO&quot;, to = &quot;M1&quot;),
+# M1 = list(type = &quot;SFO&quot;, to = &quot;M2&quot;),
+# M2 = list(type = &quot;SFO&quot;), use_of_ff = &quot;max&quot;)
+#
+#
+# m_synth_SFO_par &lt;- mkinmod(parent = list(type = &quot;SFO&quot;, to = c(&quot;M1&quot;, &quot;M2&quot;),
+# sink = FALSE),
+# M1 = list(type = &quot;SFO&quot;),
+# M2 = list(type = &quot;SFO&quot;), use_of_ff = &quot;max&quot;)
+#
+# m_synth_DFOP_lin &lt;- mkinmod(parent = list(type = &quot;DFOP&quot;, to = &quot;M1&quot;),
+# M1 = list(type = &quot;SFO&quot;, to = &quot;M2&quot;),
+# M2 = list(type = &quot;SFO&quot;), use_of_ff = &quot;max&quot;)
+#
+# m_synth_DFOP_par &lt;- mkinmod(parent = list(type = &quot;DFOP&quot;, to = c(&quot;M1&quot;, &quot;M2&quot;),
+# sink = FALSE),
+# M1 = list(type = &quot;SFO&quot;),
+# M2 = list(type = &quot;SFO&quot;), use_of_ff = &quot;max&quot;)
+#
+# mkinfit(m_synth_SFO_lin, synthetic_data_for_UBA_2014[[1]]$data)
+# ## End(Not run)
+</div></pre>
+ </div>
+ <div class="span4">
+ <!-- <ul>
+ <li>synthetic_data_for_UBA_2014</li>
+ </ul>
+ <ul>
+ <li>datasets</li>
+ </ul> -->
+
+
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+</div>
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