aboutsummaryrefslogtreecommitdiff
path: root/docs/reference/synthetic_data_for_UBA.html
diff options
context:
space:
mode:
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)
tree724c9dc19901f24f427757ac81001f07bf298024 /docs/reference/synthetic_data_for_UBA.html
parentec1487f0f2cef32d44b0c6ce94a6f1b4f65a79d3 (diff)
Static documentation rebuilt by pkgdown::build_site()
Diffstat (limited to 'docs/reference/synthetic_data_for_UBA.html')
-rw-r--r--docs/reference/synthetic_data_for_UBA.html157
1 files changed, 157 insertions, 0 deletions
diff --git a/docs/reference/synthetic_data_for_UBA.html b/docs/reference/synthetic_data_for_UBA.html
new file mode 100644
index 00000000..04550199
--- /dev/null
+++ b/docs/reference/synthetic_data_for_UBA.html
@@ -0,0 +1,157 @@
+<!-- Generated by pkgdown: do not edit by hand -->
+<!DOCTYPE html>
+<html>
+ <head>
+ <meta charset="utf-8">
+<meta http-equiv="X-UA-Compatible" content="IE=edge">
+<meta name="viewport" content="width=device-width, initial-scale=1.0">
+
+<title>synthetic_data_for_UBA_2014. mkin</title>
+
+<!-- jquery -->
+<script src="https://code.jquery.com/jquery-3.1.0.min.js" integrity="sha384-nrOSfDHtoPMzJHjVTdCopGqIqeYETSXhZDFyniQ8ZHcVy08QesyHcnOUpMpqnmWq" crossorigin="anonymous"></script>
+
+<!-- Bootstrap -->
+<link href="https://maxcdn.bootstrapcdn.com/bootswatch/3.3.7/cerulean/bootstrap.min.css" rel="stylesheet" crossorigin="anonymous">
+
+<script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha384-Tc5IQib027qvyjSMfHjOMaLkfuWVxZxUPnCJA7l2mCWNIpG9mGCD8wGNIcPD7Txa" crossorigin="anonymous"></script>
+
+<!-- Font Awesome icons -->
+<link href="https://maxcdn.bootstrapcdn.com/font-awesome/4.6.3/css/font-awesome.min.css" rel="stylesheet" integrity="sha384-T8Gy5hrqNKT+hzMclPo118YTQO6cYprQmhrYwIiQ/3axmI1hQomh7Ud2hPOy8SP1" crossorigin="anonymous">
+
+
+<!-- pkgdown -->
+<link href="../pkgdown.css" rel="stylesheet">
+<script src="../pkgdown.js"></script>
+
+<!-- mathjax -->
+<script src='https://cdn.mathjax.org/mathjax/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
+
+<!--[if lt IE 9]>
+<script src="https://oss.maxcdn.com/html5shiv/3.7.3/html5shiv.min.js"></script>
+<script src="https://oss.maxcdn.com/respond/1.4.2/respond.min.js"></script>
+<![endif]-->
+ </head>
+
+ <body>
+ <div class="container">
+ <header>
+
+<div class="navbar navbar-default navbar-fixed-top" role="navigation">
+ <div class="container">
+ <div class="navbar-header">
+ <button type="button" class="navbar-toggle collapsed" data-toggle="collapse" data-target="#navbar">
+ <span class="icon-bar"></span>
+ <span class="icon-bar"></span>
+ <span class="icon-bar"></span>
+ </button>
+ <a class="navbar-brand" href="../index.html">mkin</a>
+ </div>
+ <div id="navbar" class="navbar-collapse collapse">
+ <ul class="nav navbar-nav">
+ <li>
+ <a href="../index.html">Home</a>
+</li>
+<li>
+ <a href="../reference/index.html">Reference</a>
+</li>
+ </ul>
+ <ul class="nav navbar-nav navbar-right">
+ <li>
+ <a href="https://github.com/jranke/mkin">
+ <span class="fa fa-github fa-lg"></span>
+
+ </a>
+</li>
+ </ul>
+ </div><!--/.nav-collapse -->
+ </div><!--/.container -->
+</div><!--/.navbar -->
+
+ </header>
+
+ <div class="page-header">
+ <h1>
+</h1>
+</div>
+
+<div class="row">
+ <div class="col-md-9">
+
+ <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 &#39;a&#39; is based on a normal distribution with standard deviation of 3,
+ Variance component &#39;b&#39; is also based on a normal distribution, but with a standard deviation of 7.
+ Variance component &#39;c&#39; 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 &#39;a&#39;.</p>
+
+ <p>Compare also the code in the example section to see the degradation models.</p>
+
+
+ <pre><span class='no'>synthetic_data_for_UBA_2014</span></pre>
+
+ <div class="Format">
+ <h2>Format</h2>
+
+ <p>A list containing datasets in the form internally used by the &#39;gmkin&#39; package.
+ The list has twelfe components. Each of the components is one dataset that has,
+ among others, the following components
+ <dl class='dl-horizontal'>
+ <dt><code>title</code></dt><dd>The name of the dataset, e.g. <code>SFO_lin_a</code></dd>
+ <dt><code>data</code></dt><dd>A data frame with the data in the form expected by <code>mkinfit</code></dd>
+ </dl></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='co'>## Not run: ------------------------------------</span>
+<span class='co'># m_synth_SFO_lin &lt;- mkinmod(parent = list(type = "SFO", to = "M1"),</span>
+<span class='co'># M1 = list(type = "SFO", to = "M2"),</span>
+<span class='co'># M2 = list(type = "SFO"), use_of_ff = "max")</span>
+<span class='co'># </span>
+<span class='co'># </span>
+<span class='co'># m_synth_SFO_par &lt;- mkinmod(parent = list(type = "SFO", to = c("M1", "M2"),</span>
+<span class='co'># sink = FALSE),</span>
+<span class='co'># M1 = list(type = "SFO"),</span>
+<span class='co'># M2 = list(type = "SFO"), use_of_ff = "max")</span>
+<span class='co'># </span>
+<span class='co'># m_synth_DFOP_lin &lt;- mkinmod(parent = list(type = "DFOP", to = "M1"),</span>
+<span class='co'># M1 = list(type = "SFO", to = "M2"),</span>
+<span class='co'># M2 = list(type = "SFO"), use_of_ff = "max")</span>
+<span class='co'># </span>
+<span class='co'># m_synth_DFOP_par &lt;- mkinmod(parent = list(type = "DFOP", to = c("M1", "M2"),</span>
+<span class='co'># sink = FALSE),</span>
+<span class='co'># M1 = list(type = "SFO"),</span>
+<span class='co'># M2 = list(type = "SFO"), use_of_ff = "max")</span>
+<span class='co'># </span>
+<span class='co'># mkinfit(m_synth_SFO_lin, synthetic_data_for_UBA_2014[[1]]$data)</span>
+<span class='co'>## ---------------------------------------------</span></div></pre>
+ </div>
+ <div class="col-md-3">
+ </div>
+</div>
+
+ <footer>
+ <p>Built by <a href="http://hadley.github.io/pkgdown/">pkgdown</a>. Styled with <a href="http://getbootstrap.com">Bootstrap 3</a>.</p>
+ </footer>
+ </div>
+
+ </body>
+</html>

Contact - Imprint