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diff --git a/docs/synthetic_data_for_UBA.html b/docs/synthetic_data_for_UBA.html deleted file mode 100644 index 1a29a7b2..00000000 --- a/docs/synthetic_data_for_UBA.html +++ /dev/null @@ -1,156 +0,0 @@ -<!DOCTYPE html> -<html lang="en"> - <head> - <meta charset="utf-8"> -<title>synthetic_data_for_UBA_2014. mkin 0.9.44.9000</title> -<meta name="viewport" content="width=device-width, initial-scale=1.0"> -<meta name="author" content=""> - -<link href="css/bootstrap.css" rel="stylesheet"> -<link href="css/bootstrap-responsive.css" rel="stylesheet"> -<link href="css/highlight.css" rel="stylesheet"> -<link href="css/staticdocs.css" rel="stylesheet"> - -<!--[if lt IE 9]> - <script src="http://html5shim.googlecode.com/svn/trunk/html5.js"></script> -<![endif]--> - -<script type="text/x-mathjax-config"> - MathJax.Hub.Config({ - tex2jax: { - inlineMath: [ ['$','$'], ["\\(","\\)"] ], - processEscapes: true - } - }); -</script> -<script type="text/javascript" - src="http://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML"> -</script> - </head> - - <body> - <div class="navbar"> - <div class="navbar-inner"> - <div class="container"> - <a class="brand" href="index.html">mkin 0.9.44.9000</a> - <div class="nav"> - <ul class="nav"> - <li><a href="index.html">Home</a></li> - <li><a href="reference.html">Reference</a></li> - </ul> - </div> - </div> - </div> -</div> - - - <div class="container"> - <header> - - </header> - - <h1> - Synthetic datasets for one parent compound with two metabolites -</h1> - -<div class="row"> - <div class="span8"> - <h2>Usage</h2> - <pre><span class="symbol">synthetic_data_for_UBA_2014</span></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'><span class="comment">## Not run: ------------------------------------</span> -<span class="comment"># m_synth_SFO_lin <- mkinmod(parent = list(type = "SFO", to = "M1"),</span> -<span class="comment"># M1 = list(type = "SFO", to = "M2"),</span> -<span class="comment"># M2 = list(type = "SFO"), use_of_ff = "max")</span> -<span class="comment"># </span> -<span class="comment"># </span> -<span class="comment"># m_synth_SFO_par <- mkinmod(parent = list(type = "SFO", to = c("M1", "M2"),</span> -<span class="comment"># sink = FALSE),</span> -<span class="comment"># M1 = list(type = "SFO"),</span> -<span class="comment"># M2 = list(type = "SFO"), use_of_ff = "max")</span> -<span class="comment"># </span> -<span class="comment"># m_synth_DFOP_lin <- mkinmod(parent = list(type = "DFOP", to = "M1"),</span> -<span class="comment"># M1 = list(type = "SFO", to = "M2"),</span> -<span class="comment"># M2 = list(type = "SFO"), use_of_ff = "max")</span> -<span class="comment"># </span> -<span class="comment"># m_synth_DFOP_par <- mkinmod(parent = list(type = "DFOP", to = c("M1", "M2"),</span> -<span class="comment"># sink = FALSE),</span> -<span class="comment"># M1 = list(type = "SFO"),</span> -<span class="comment"># M2 = list(type = "SFO"), use_of_ff = "max")</span> -<span class="comment"># </span> -<span class="comment"># mkinfit(m_synth_SFO_lin, synthetic_data_for_UBA_2014[[1]]$data)</span> -<span class="comment">## ---------------------------------------------</span></div></pre> - </div> - <div class="span4 sidebar"> - <!-- <ul> - <li>synthetic_data_for_UBA_2014</li> - </ul> - <ul> - <li>datasets</li> - </ul> --> - - - - - </div> -</div> - - <footer> - <p class="pull-right"><a href="#">Back to top</a></p> -<p>Built by <a href="https://github.com/hadley/staticdocs">staticdocs</a>. 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