aboutsummaryrefslogtreecommitdiff
path: root/docs/reference/synthetic_data_for_UBA.html
diff options
context:
space:
mode:
authorJohannes Ranke <jranke@uni-bremen.de>2019-11-01 12:19:03 +0100
committerJohannes Ranke <jranke@uni-bremen.de>2019-11-01 12:19:03 +0100
commitbbb74d4f60033899cd5cdd36aa70f157bc52209e (patch)
treeca0f620ba0ffd59ff242071260d2346e4ca254ff /docs/reference/synthetic_data_for_UBA.html
parent70e48e8360875f22970174d409c46cb3f076fa99 (diff)
Fix bug in yesterdays release, add methods for BIC
Diffstat (limited to 'docs/reference/synthetic_data_for_UBA.html')
-rw-r--r--docs/reference/synthetic_data_for_UBA.html225
1 files changed, 0 insertions, 225 deletions
diff --git a/docs/reference/synthetic_data_for_UBA.html b/docs/reference/synthetic_data_for_UBA.html
deleted file mode 100644
index b3da0016..00000000
--- a/docs/reference/synthetic_data_for_UBA.html
+++ /dev/null
@@ -1,225 +0,0 @@
-<!-- Generated by pkgdown: do not edit by hand -->
-<!DOCTYPE html>
-<html lang="en">
- <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 datasets for one parent compound with two metabolites — synthetic_data_for_UBA_2014 • mkin</title>
-
-<!-- jquery -->
-<script src="https://cdnjs.cloudflare.com/ajax/libs/jquery/3.3.1/jquery.min.js" integrity="sha256-FgpCb/KJQlLNfOu91ta32o/NMZxltwRo8QtmkMRdAu8=" crossorigin="anonymous"></script>
-<!-- Bootstrap -->
-
-<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/css/bootstrap.min.css" integrity="sha256-916EbMg70RQy9LHiGkXzG8hSg9EdNy97GazNG/aiY1w=" crossorigin="anonymous" />
-<script src="https://cdnjs.cloudflare.com/ajax/libs/twitter-bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha256-U5ZEeKfGNOja007MMD3YBI0A3OSZOQbeG6z2f2Y0hu8=" crossorigin="anonymous"></script>
-
-<!-- Font Awesome icons -->
-<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.7.1/css/all.min.css" integrity="sha256-nAmazAk6vS34Xqo0BSrTb+abbtFlgsFK7NKSi6o7Y78=" crossorigin="anonymous" />
-<link rel="stylesheet" href="https://cdnjs.cloudflare.com/ajax/libs/font-awesome/5.7.1/css/v4-shims.min.css" integrity="sha256-6qHlizsOWFskGlwVOKuns+D1nB6ssZrHQrNj1wGplHc=" crossorigin="anonymous" />
-
-<!-- clipboard.js -->
-<script src="https://cdnjs.cloudflare.com/ajax/libs/clipboard.js/2.0.4/clipboard.min.js" integrity="sha256-FiZwavyI2V6+EXO1U+xzLG3IKldpiTFf3153ea9zikQ=" crossorigin="anonymous"></script>
-
-<!-- headroom.js -->
-<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.9.4/headroom.min.js" integrity="sha256-DJFC1kqIhelURkuza0AvYal5RxMtpzLjFhsnVIeuk+U=" crossorigin="anonymous"></script>
-<script src="https://cdnjs.cloudflare.com/ajax/libs/headroom/0.9.4/jQuery.headroom.min.js" integrity="sha256-ZX/yNShbjqsohH1k95liqY9Gd8uOiE1S4vZc+9KQ1K4=" crossorigin="anonymous"></script>
-
-<!-- pkgdown -->
-<link href="../pkgdown.css" rel="stylesheet">
-<script src="../pkgdown.js"></script>
-
-
-
-<meta property="og:title" content="Synthetic datasets for one parent compound with two metabolites — synthetic_data_for_UBA_2014" />
-
-<meta property="og:description" content="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.
-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. Note that this is a simplified version
- of the error model proposed by Rocke and Lorenzato (1995), as in their model the error of the
- measured values approximates lognormal distribution for high values, whereas we are using
- normally distributed error components all along.
-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 NA.
-As an example, the first dataset has the title SFO_lin_a and is based on the SFO model
- with two sequential metabolites (linear pathway), with added variance component 'a'.
-Compare also the code in the example section to see the degradation models." />
-<meta name="twitter:card" content="summary" />
-
-
-
-<!-- mathjax -->
-<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/MathJax.js" integrity="sha256-nvJJv9wWKEm88qvoQl9ekL2J+k/RWIsaSScxxlsrv8k=" crossorigin="anonymous"></script>
-<script src="https://cdnjs.cloudflare.com/ajax/libs/mathjax/2.7.5/config/TeX-AMS-MML_HTMLorMML.js" integrity="sha256-84DKXVJXs0/F8OTMzX4UR909+jtl4G7SPypPavF+GfA=" crossorigin="anonymous"></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 template-reference-topic">
- <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" aria-expanded="false">
- <span class="sr-only">Toggle navigation</span>
- <span class="icon-bar"></span>
- <span class="icon-bar"></span>
- <span class="icon-bar"></span>
- </button>
- <span class="navbar-brand">
- <a class="navbar-link" href="../index.html">mkin</a>
- <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.9.49.6</span>
- </span>
- </div>
-
- <div id="navbar" class="navbar-collapse collapse">
- <ul class="nav navbar-nav">
- <li>
- <a href="../reference/index.html">Functions and data</a>
-</li>
-<li class="dropdown">
- <a href="#" class="dropdown-toggle" data-toggle="dropdown" role="button" aria-expanded="false">
- Articles
-
- <span class="caret"></span>
- </a>
- <ul class="dropdown-menu" role="menu">
- <li>
- <a href="../articles/mkin.html">Introduction to mkin</a>
- </li>
- <li>
- <a href="../articles/FOCUS_D.html">Example evaluation of FOCUS Example Dataset D</a>
- </li>
- <li>
- <a href="../articles/FOCUS_L.html">Example evaluation of FOCUS Laboratory Data L1 to L3</a>
- </li>
- <li>
- <a href="../articles/web_only/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a>
- </li>
- <li>
- <a href="../articles/web_only/compiled_models.html">Performance benefit by using compiled model definitions in mkin</a>
- </li>
- <li>
- <a href="../articles/twa.html">Calculation of time weighted average concentrations with mkin</a>
- </li>
- <li>
- <a href="../articles/web_only/NAFTA_examples.html">Example evaluation of NAFTA SOP Attachment examples</a>
- </li>
- </ul>
-</li>
-<li>
- <a href="../news/index.html">News</a>
-</li>
- </ul>
-
- <ul class="nav navbar-nav navbar-right">
-
- </ul>
-
- </div><!--/.nav-collapse -->
- </div><!--/.container -->
-</div><!--/.navbar -->
-
-
-
- </header>
-
-<div class="row">
- <div class="col-md-9 contents">
- <div class="page-header">
- <h1>Synthetic datasets for one parent compound with two metabolites</h1>
-
- <div class="hidden name"><code>synthetic_data_for_UBA.Rd</code></div>
- </div>
-
- <div class="ref-description">
-
- <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. Note that this is a simplified version
- of the error model proposed by Rocke and Lorenzato (1995), as in their model the error of the
- measured values approximates lognormal distribution for high values, whereas we are using
- normally distributed error components all along.</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>
-
- <pre class="usage"><span class='no'>synthetic_data_for_UBA_2014</span></pre>
-
- <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2>
-
- <p>A list containing twelve datasets as an R6 class defined by <code><a href='mkinds.html'>mkinds</a></code>,
- each containing, among others, the following components</p><dl class='dl-horizontal'>
- <dt><code>title</code></dt><dd><p>The name of the dataset, e.g. <code>SFO_lin_a</code></p></dd>
- <dt><code>data</code></dt><dd><p>A data frame with the data in the form expected by <code><a href='mkinfit.html'>mkinfit</a></code></p></dd>
-
-</dl>
-
-
- <h2 class="hasAnchor" id="source"><a class="anchor" href="#source"></a>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>
-
-
- <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
- <pre class="examples"></pre>
- </div>
- <div class="col-md-3 hidden-xs hidden-sm" id="sidebar">
- <h2>Contents</h2>
- <ul class="nav nav-pills nav-stacked">
-
- <li><a href="#format">Format</a></li>
-
- <li><a href="#source">Source</a></li>
-
- <li><a href="#examples">Examples</a></li>
- </ul>
-
- </div>
-</div>
-
-
- <footer>
- <div class="copyright">
- <p>Developed by Johannes Ranke.</p>
-</div>
-
-<div class="pkgdown">
- <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.4.1.</p>
-</div>
-
- </footer>
- </div>
-
-
-
-
- </body>
-</html>
-
-

Contact - Imprint