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-rw-r--r--DESCRIPTION4
-rw-r--r--build.log2
-rw-r--r--data/test_data_from_UBA_2014.rdabin0 -> 3411 bytes
-rw-r--r--docs/reference/index.html2
-rw-r--r--docs/reference/synthetic_data_for_UBA.html2
-rw-r--r--docs/reference/test_data_from_UBA_2014-16.pngbin0 -> 14867 bytes
-rw-r--r--docs/reference/test_data_from_UBA_2014-6.pngbin0 -> 11121 bytes
-rw-r--r--docs/reference/test_data_from_UBA_2014.html411
-rw-r--r--man/synthetic_data_for_UBA.Rd2
-rw-r--r--man/test_data_from_UBA_2014.Rd52
10 files changed, 469 insertions, 6 deletions
diff --git a/DESCRIPTION b/DESCRIPTION
index d6de2e12..27d81005 100644
--- a/DESCRIPTION
+++ b/DESCRIPTION
@@ -1,8 +1,8 @@
Package: mkin
Type: Package
Title: Kinetic Evaluation of Chemical Degradation Data
-Version: 0.9.46.3
-Date: 2017-11-16
+Version: 0.9.47.1
+Date: 2018-01-05
Authors@R: c(person("Johannes", "Ranke", role = c("aut", "cre", "cph"),
email = "jranke@uni-bremen.de",
comment = c(ORCID = "0000-0003-4371-6538")),
diff --git a/build.log b/build.log
index 3599e4aa..67f4433b 100644
--- a/build.log
+++ b/build.log
@@ -6,5 +6,5 @@
* checking for LF line-endings in source and make files and shell scripts
* checking for empty or unneeded directories
* looking to see if a ‘data/datalist’ file should be added
-* building ‘mkin_0.9.46.3.tar.gz’
+* building ‘mkin_0.9.47.1.tar.gz’
diff --git a/data/test_data_from_UBA_2014.rda b/data/test_data_from_UBA_2014.rda
new file mode 100644
index 00000000..4978ccad
--- /dev/null
+++ b/data/test_data_from_UBA_2014.rda
Binary files differ
diff --git a/docs/reference/index.html b/docs/reference/index.html
index dbcd5ba0..e047f75d 100644
--- a/docs/reference/index.html
+++ b/docs/reference/index.html
@@ -100,7 +100,7 @@
<div class="page-header">
<h1>
Reference
- <small>version&nbsp;0.9.46.3</small>
+ <small>version&nbsp;0.9.47.1</small>
</h1>
</div>
diff --git a/docs/reference/synthetic_data_for_UBA.html b/docs/reference/synthetic_data_for_UBA.html
index 9ff18876..8a148870 100644
--- a/docs/reference/synthetic_data_for_UBA.html
+++ b/docs/reference/synthetic_data_for_UBA.html
@@ -122,7 +122,7 @@
<h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>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,
+ The list has twelve components. Each of the components is one dataset that has,
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>
diff --git a/docs/reference/test_data_from_UBA_2014-16.png b/docs/reference/test_data_from_UBA_2014-16.png
new file mode 100644
index 00000000..e5346b43
--- /dev/null
+++ b/docs/reference/test_data_from_UBA_2014-16.png
Binary files differ
diff --git a/docs/reference/test_data_from_UBA_2014-6.png b/docs/reference/test_data_from_UBA_2014-6.png
new file mode 100644
index 00000000..e7fe4f0c
--- /dev/null
+++ b/docs/reference/test_data_from_UBA_2014-6.png
Binary files differ
diff --git a/docs/reference/test_data_from_UBA_2014.html b/docs/reference/test_data_from_UBA_2014.html
new file mode 100644
index 00000000..601f148c
--- /dev/null
+++ b/docs/reference/test_data_from_UBA_2014.html
@@ -0,0 +1,411 @@
+<!-- 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>Three experimental datasets from two water sediment systems and one soil — test_data_from_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/bootstrap/3.3.7/css/bootstrap.min.css" rel="stylesheet" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" 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 -->
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+
+
+<!-- pkgdown -->
+<link href="../pkgdown.css" rel="stylesheet">
+<script src="../jquery.sticky-kit.min.js"></script>
+<script src="../pkgdown.js"></script>
+
+<!-- mathjax -->
+<script src='https://mathjax.rstudio.com/latest/MathJax.js?config=TeX-AMS-MML_HTMLorMML'></script>
+
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+<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]-->
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+
+ <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">
+ <span class="icon-bar"></span>
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+ <div id="navbar" class="navbar-collapse collapse">
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+ <li>
+ <a href="../reference/index.html">Functions and data</a>
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+<li class="dropdown">
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+ 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/FOCUS_Z.html">Example evaluation of FOCUS Example Dataset Z</a>
+ </li>
+ <li>
+ <a href="../articles/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>
+ </ul>
+</li>
+<li>
+ <a href="../news/index.html">News</a>
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+ <ul class="nav navbar-nav navbar-right">
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+
+ <div class="row">
+ <div class="col-md-9 contents">
+ <div class="page-header">
+ <h1>Three experimental datasets from two water sediment systems and one soil</h1>
+ </div>
+
+
+ <p>The datasets were used for the comparative validation of several kinetic evaluation
+ software packages (Ranke, 2014).</p>
+
+
+ <pre class="usage"><span class='no'>test_data_from_UBA_2014</span></pre>
+
+ <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2>
+
+ <p>A list containing three datasets as an R6 class defined by <code><a href='mkinds.html'>mkinds</a></code>.
+ Each dataset has, 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>UBA_2014_WS_river</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>
+
+
+ <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
+ <pre class="examples"><div class='input'> <span class='co'># This is a level P-II evaluation of the dataset according to the FOCUS kinetics</span>
+ <span class='co'># guidance. Due to the strong correlation of the parameter estimates, the</span>
+ <span class='co'># covariance matrix is not returned. Note that level P-II evaluations are</span>
+ <span class='co'># generally considered deprecated due to the frequent occurrence of such</span>
+ <span class='co'># large parameter correlations, among other reasons (e.g. the adequacy of the</span>
+ <span class='co'># model).</span>
+ <span class='no'>m_ws</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span>(<span class='kw'>parent_w</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>, <span class='st'>"parent_s"</span>),
+ <span class='kw'>parent_s</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>, <span class='st'>"parent_w"</span>))</div><div class='output co'>#&gt; <span class='message'>Successfully compiled differential equation model from auto-generated C code.</span></div><div class='input'> <span class='no'>f_river</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>m_ws</span>, <span class='no'>test_data_from_UBA_2014</span><span class='kw'>[[</span><span class='fl'>1</span>]]$<span class='no'>data</span>)</div><div class='output co'>#&gt; Model cost at call 1 : 2371.755
+#&gt; Model cost at call 3 : 2371.755
+#&gt; Model cost at call 7 : 457.5705
+#&gt; Model cost at call 10 : 457.5608
+#&gt; Model cost at call 14 : 297.2882
+#&gt; Model cost at call 16 : 297.2882
+#&gt; Model cost at call 18 : 297.2881
+#&gt; Model cost at call 21 : 275.6034
+#&gt; Model cost at call 23 : 275.6034
+#&gt; Model cost at call 27 : 268.2102
+#&gt; Model cost at call 29 : 268.2101
+#&gt; Model cost at call 33 : 255.941
+#&gt; Model cost at call 35 : 255.941
+#&gt; Model cost at call 39 : 246.486
+#&gt; Model cost at call 41 : 246.486
+#&gt; Model cost at call 45 : 231.4275
+#&gt; Model cost at call 47 : 231.4275
+#&gt; Model cost at call 51 : 212.4338
+#&gt; Model cost at call 52 : 212.4338
+#&gt; Model cost at call 53 : 212.4337
+#&gt; Model cost at call 57 : 203.7185
+#&gt; Model cost at call 58 : 203.7185
+#&gt; Model cost at call 63 : 198.3304
+#&gt; Model cost at call 69 : 198.3304
+#&gt; Model cost at call 70 : 195.794
+#&gt; Model cost at call 72 : 195.7939
+#&gt; Model cost at call 76 : 195.2477
+#&gt; Model cost at call 77 : 195.2477
+#&gt; Model cost at call 82 : 191.6184
+#&gt; Model cost at call 84 : 191.6184
+#&gt; Model cost at call 88 : 189.9011
+#&gt; Model cost at call 90 : 189.9011
+#&gt; Model cost at call 91 : 189.9011
+#&gt; Model cost at call 94 : 189.223
+#&gt; Model cost at call 95 : 189.223
+#&gt; Model cost at call 100 : 188.8728
+#&gt; Model cost at call 101 : 188.8728
+#&gt; Model cost at call 103 : 188.8728
+#&gt; Model cost at call 106 : 188.2057
+#&gt; Model cost at call 107 : 188.2057
+#&gt; Model cost at call 112 : 187.8429
+#&gt; Model cost at call 118 : 187.6219
+#&gt; Model cost at call 119 : 187.3931
+#&gt; Model cost at call 121 : 187.3931
+#&gt; Model cost at call 125 : 187.1236
+#&gt; Model cost at call 126 : 187.1236
+#&gt; Model cost at call 131 : 186.9995
+#&gt; Model cost at call 137 : 186.927
+#&gt; Model cost at call 139 : 186.927
+#&gt; Model cost at call 143 : 186.8909
+#&gt; Model cost at call 146 : 186.8909
+#&gt; Model cost at call 150 : 186.8708
+#&gt; Model cost at call 152 : 186.8708
+#&gt; Model cost at call 157 : 186.8606
+#&gt; Model cost at call 159 : 186.8606
+#&gt; Model cost at call 161 : 186.8606
+#&gt; Model cost at call 162 : 186.8606
+#&gt; Model cost at call 167 : 186.8551
+#&gt; Model cost at call 169 : 186.8551
+#&gt; Model cost at call 176 : 186.8519
+#&gt; Model cost at call 177 : 186.8519
+#&gt; Model cost at call 180 : 186.8519
+#&gt; Model cost at call 181 : 186.8519
+#&gt; Model cost at call 186 : 186.8504
+#&gt; Model cost at call 187 : 186.8504
+#&gt; Model cost at call 196 : 186.8496
+#&gt; Model cost at call 197 : 186.8496
+#&gt; Model cost at call 200 : 186.8496
+#&gt; Model cost at call 206 : 186.8493
+#&gt; Model cost at call 211 : 186.8493
+#&gt; Model cost at call 215 : 186.8493
+#&gt; Model cost at call 216 : 186.8491
+#&gt; Model cost at call 225 : 186.8491
+#&gt; Model cost at call 226 : 186.849
+#&gt; Model cost at call 236 : 186.8489
+#&gt; Model cost at call 246 : 186.8489
+#&gt; Model cost at call 254 : 186.8489
+#&gt; Model cost at call 257 : 186.8489
+#&gt; Model cost at call 265 : 186.8489
+#&gt; Model cost at call 268 : 186.8489
+#&gt; Model cost at call 276 : 186.8489
+#&gt; Model cost at call 279 : 186.8489
+#&gt; Model cost at call 287 : 186.8489
+#&gt; Model cost at call 290 : 186.8489
+#&gt; Model cost at call 298 : 186.8489
+#&gt; Model cost at call 301 : 186.8489
+#&gt; Model cost at call 309 : 186.8489
+#&gt; Model cost at call 312 : 186.8489
+#&gt; Model cost at call 320 : 186.8489
+#&gt; Model cost at call 323 : 186.8489
+#&gt; Model cost at call 331 : 186.8489
+#&gt; Model cost at call 334 : 186.8489
+#&gt; Model cost at call 342 : 186.8489
+#&gt; Model cost at call 345 : 186.8489
+#&gt; Model cost at call 353 : 186.8489
+#&gt; Model cost at call 356 : 186.8489
+#&gt; Model cost at call 367 : 186.8489
+#&gt; Model cost at call 374 : 186.8489
+#&gt; Model cost at call 375 : 186.8489
+#&gt; Model cost at call 380 : 186.8489
+#&gt; Model cost at call 382 : 186.8489
+#&gt; Model cost at call 383 : 186.8489
+#&gt; Optimisation by method Port successfully terminated.</div><div class='input'> <span class='fu'>plot</span>(<span class='no'>f_river</span>)</div><img src='test_data_from_UBA_2014-6.png' alt='' width='540' height='400' /><div class='input'>
+ <span class='fu'>summary</span>(<span class='no'>f_river</span>)$<span class='no'>bpar</span></div><div class='output co'>#&gt; Estimate se_notrans t value Pr(&gt;t) Lower
+#&gt; parent_w_0 9.598567e+01 2.33959810 4.102657e+01 9.568973e-19 NA
+#&gt; k_parent_w_sink 3.603743e-01 0.03497716 1.030313e+01 4.988281e-09 NA
+#&gt; k_parent_w_parent_s 6.031370e-02 0.01746026 3.454342e+00 1.514738e-03 NA
+#&gt; k_parent_s_sink 5.099834e-11 0.10381939 4.912217e-10 5.000000e-01 NA
+#&gt; k_parent_s_parent_w 7.419672e-02 0.11338174 6.543974e-01 2.608057e-01 NA
+#&gt; Upper
+#&gt; parent_w_0 NA
+#&gt; k_parent_w_sink NA
+#&gt; k_parent_w_parent_s NA
+#&gt; k_parent_s_sink NA
+#&gt; k_parent_s_parent_w NA</div><div class='input'> <span class='fu'><a href='mkinerrmin.html'>mkinerrmin</a></span>(<span class='no'>f_river</span>)</div><div class='output co'>#&gt; err.min n.optim df
+#&gt; All data 0.09246946 5 6
+#&gt; parent_w 0.06377096 3 3
+#&gt; parent_s 0.20882324 2 3</div><div class='input'>
+ <span class='co'># This is the evaluation used for the validation of software packages</span>
+ <span class='co'># in the expertise from 2014</span>
+ <span class='no'>m_soil</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='mkinmod.html'>mkinmod</a></span>(<span class='kw'>parent</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>, <span class='fu'>c</span>(<span class='st'>"M1"</span>, <span class='st'>"M2"</span>)),
+ <span class='kw'>M1</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>, <span class='st'>"M3"</span>),
+ <span class='kw'>M2</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>, <span class='st'>"M3"</span>),
+ <span class='kw'>M3</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>),
+ <span class='kw'>use_of_ff</span> <span class='kw'>=</span> <span class='st'>"max"</span>)</div><div class='output co'>#&gt; <span class='message'>Successfully compiled differential equation model from auto-generated C code.</span></div><div class='input'>
+ <span class='no'>f_soil</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='mkinfit.html'>mkinfit</a></span>(<span class='no'>m_soil</span>, <span class='no'>test_data_from_UBA_2014</span><span class='kw'>[[</span><span class='fl'>3</span>]]$<span class='no'>data</span>)</div><div class='output co'>#&gt; Model cost at call 1 : 340.115
+#&gt; Model cost at call 3 : 340.115
+#&gt; Model cost at call 12 : 278.5521
+#&gt; Model cost at call 14 : 278.5499
+#&gt; Model cost at call 22 : 244.4153
+#&gt; Model cost at call 24 : 244.4152
+#&gt; Model cost at call 32 : 211.0249
+#&gt; Model cost at call 34 : 211.0247
+#&gt; Model cost at call 42 : 151.2576
+#&gt; Model cost at call 44 : 151.2575
+#&gt; Model cost at call 46 : 151.2574
+#&gt; Model cost at call 52 : 109.7633
+#&gt; Model cost at call 53 : 100.8415
+#&gt; Model cost at call 58 : 100.8412
+#&gt; Model cost at call 61 : 100.8412
+#&gt; Model cost at call 62 : 100.8411
+#&gt; Model cost at call 64 : 70.07576
+#&gt; Model cost at call 66 : 70.07568
+#&gt; Model cost at call 76 : 64.29488
+#&gt; Model cost at call 78 : 64.29487
+#&gt; Model cost at call 86 : 61.39756
+#&gt; Model cost at call 88 : 61.39755
+#&gt; Model cost at call 96 : 57.47933
+#&gt; Model cost at call 98 : 57.47932
+#&gt; Model cost at call 106 : 52.46647
+#&gt; Model cost at call 108 : 52.46646
+#&gt; Model cost at call 116 : 48.17301
+#&gt; Model cost at call 118 : 48.173
+#&gt; Model cost at call 126 : 45.15666
+#&gt; Model cost at call 128 : 45.15665
+#&gt; Model cost at call 137 : 44.55574
+#&gt; Model cost at call 139 : 44.55573
+#&gt; Model cost at call 143 : 44.55573
+#&gt; Model cost at call 147 : 43.13847
+#&gt; Model cost at call 149 : 43.13847
+#&gt; Model cost at call 151 : 43.13847
+#&gt; Model cost at call 158 : 43.11922
+#&gt; Model cost at call 160 : 43.11922
+#&gt; Model cost at call 168 : 42.29535
+#&gt; Model cost at call 170 : 42.29535
+#&gt; Model cost at call 178 : 42.03979
+#&gt; Model cost at call 180 : 42.03979
+#&gt; Model cost at call 189 : 41.56286
+#&gt; Model cost at call 190 : 41.12187
+#&gt; Model cost at call 191 : 39.73019
+#&gt; Model cost at call 192 : 39.31762
+#&gt; Model cost at call 193 : 39.31762
+#&gt; Model cost at call 196 : 39.31762
+#&gt; Model cost at call 203 : 38.6346
+#&gt; Model cost at call 204 : 38.6346
+#&gt; Model cost at call 205 : 38.63459
+#&gt; Model cost at call 209 : 38.63459
+#&gt; Model cost at call 210 : 38.63459
+#&gt; Model cost at call 211 : 38.63459
+#&gt; Model cost at call 213 : 38.12767
+#&gt; Model cost at call 215 : 38.12767
+#&gt; Model cost at call 223 : 38.04349
+#&gt; Model cost at call 225 : 38.04349
+#&gt; Model cost at call 229 : 38.04349
+#&gt; Model cost at call 233 : 37.93963
+#&gt; Model cost at call 236 : 37.93963
+#&gt; Model cost at call 243 : 37.87645
+#&gt; Model cost at call 244 : 37.87645
+#&gt; Model cost at call 254 : 37.79144
+#&gt; Model cost at call 256 : 37.79144
+#&gt; Model cost at call 264 : 37.7493
+#&gt; Model cost at call 269 : 37.7493
+#&gt; Model cost at call 274 : 37.72466
+#&gt; Model cost at call 275 : 37.72466
+#&gt; Model cost at call 279 : 37.72466
+#&gt; Model cost at call 283 : 37.72466
+#&gt; Model cost at call 284 : 37.71402
+#&gt; Model cost at call 285 : 37.71402
+#&gt; Model cost at call 287 : 37.71402
+#&gt; Model cost at call 294 : 37.70366
+#&gt; Model cost at call 295 : 37.70366
+#&gt; Model cost at call 296 : 37.70366
+#&gt; Model cost at call 305 : 37.69553
+#&gt; Model cost at call 306 : 37.69553
+#&gt; Model cost at call 307 : 37.69553
+#&gt; Model cost at call 315 : 37.6936
+#&gt; Model cost at call 319 : 37.6936
+#&gt; Model cost at call 321 : 37.6936
+#&gt; Model cost at call 326 : 37.6924
+#&gt; Model cost at call 328 : 37.6924
+#&gt; Model cost at call 329 : 37.6924
+#&gt; Model cost at call 336 : 37.69198
+#&gt; Model cost at call 338 : 37.69198
+#&gt; Model cost at call 344 : 37.69198
+#&gt; Model cost at call 348 : 37.69197
+#&gt; Model cost at call 350 : 37.69197
+#&gt; Model cost at call 363 : 37.69197
+#&gt; Model cost at call 364 : 37.69197
+#&gt; Model cost at call 367 : 37.69197
+#&gt; Model cost at call 382 : 37.69197
+#&gt; Model cost at call 384 : 37.69197
+#&gt; Model cost at call 387 : 37.69197
+#&gt; Model cost at call 401 : 37.69197
+#&gt; Model cost at call 420 : 37.69197
+#&gt; Model cost at call 441 : 37.69197
+#&gt; Optimisation by method Port successfully terminated.</div><div class='input'> <span class='fu'>plot</span>(<span class='no'>f_soil</span>)</div><img src='test_data_from_UBA_2014-16.png' alt='' width='540' height='400' /><div class='input'> <span class='fu'>summary</span>(<span class='no'>f_soil</span>)$<span class='no'>bpar</span></div><div class='output co'>#&gt; Estimate se_notrans t value Pr(&gt;t) Lower
+#&gt; parent_0 76.55425583 0.943443834 81.1434164 4.422340e-30 74.602593306
+#&gt; k_parent 0.12081956 0.004815515 25.0896457 1.639665e-18 0.111257526
+#&gt; k_M1 0.84258650 0.930121206 0.9058889 1.871937e-01 0.085876305
+#&gt; k_M2 0.04210878 0.013729902 3.0669396 2.729137e-03 0.021450631
+#&gt; k_M3 0.01122919 0.008044866 1.3958205 8.804914e-02 0.002550985
+#&gt; f_parent_to_M1 0.32240199 0.278620411 1.1571370 1.295466e-01 NA
+#&gt; f_parent_to_M2 0.16099854 0.030548889 5.2701930 1.196191e-05 NA
+#&gt; f_M1_to_M3 0.27921500 0.314732717 0.8871496 1.920907e-01 0.015016888
+#&gt; f_M2_to_M3 0.55641332 0.650247079 0.8556952 2.004966e-01 0.005360551
+#&gt; Upper
+#&gt; parent_0 78.50591836
+#&gt; k_parent 0.13120340
+#&gt; k_M1 8.26714671
+#&gt; k_M2 0.08266187
+#&gt; k_M3 0.04942980
+#&gt; f_parent_to_M1 NA
+#&gt; f_parent_to_M2 NA
+#&gt; f_M1_to_M3 0.90777217
+#&gt; f_M2_to_M3 0.99658634</div><div class='input'> <span class='fu'><a href='mkinerrmin.html'>mkinerrmin</a></span>(<span class='no'>f_soil</span>)</div><div class='output co'>#&gt; err.min n.optim df
+#&gt; All data 0.09649963 9 20
+#&gt; parent 0.04721283 2 6
+#&gt; M1 0.26551209 2 5
+#&gt; M2 0.20327575 2 5
+#&gt; M3 0.05196549 3 4</div></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="http://hadley.github.io/pkgdown/">pkgdown</a>.</p>
+</div>
+
+ </footer>
+ </div>
+
+ </body>
+</html>
diff --git a/man/synthetic_data_for_UBA.Rd b/man/synthetic_data_for_UBA.Rd
index 3339798e..fbccf6d8 100644
--- a/man/synthetic_data_for_UBA.Rd
+++ b/man/synthetic_data_for_UBA.Rd
@@ -26,7 +26,7 @@
\usage{synthetic_data_for_UBA_2014}
\format{
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,
+ The list has twelve components. Each of the components is one dataset that has,
among others, the following components
\describe{
\item{\code{title}}{The name of the dataset, e.g. \code{SFO_lin_a}}
diff --git a/man/test_data_from_UBA_2014.Rd b/man/test_data_from_UBA_2014.Rd
new file mode 100644
index 00000000..53100d8d
--- /dev/null
+++ b/man/test_data_from_UBA_2014.Rd
@@ -0,0 +1,52 @@
+\name{test_data_from_UBA_2014}
+\alias{test_data_from_UBA_2014}
+\docType{data}
+\title{
+ Three experimental datasets from two water sediment systems and one soil
+}
+\description{
+ The datasets were used for the comparative validation of several kinetic evaluation
+ software packages (Ranke, 2014).
+}
+\usage{test_data_from_UBA_2014}
+\format{
+ A list containing three datasets as an R6 class defined by \code{\link{mkinds}}.
+ Each dataset has, among others, the following components
+ \describe{
+ \item{\code{title}}{The name of the dataset, e.g. \code{UBA_2014_WS_river}}
+ \item{\code{data}}{A data frame with the data in the form expected by \code{\link{mkinfit}}}
+ }
+}
+\source{
+ Ranke (2014) Prüfung und Validierung von Modellierungssoftware als Alternative
+ zu ModelMaker 4.0, Umweltbundesamt Projektnummer 27452
+}
+\examples{
+ # This is a level P-II evaluation of the dataset according to the FOCUS kinetics
+ # guidance. Due to the strong correlation of the parameter estimates, the
+ # covariance matrix is not returned. Note that level P-II evaluations are
+ # generally considered deprecated due to the frequent occurrence of such
+ # large parameter correlations, among other reasons (e.g. the adequacy of the
+ # model).
+ m_ws <- mkinmod(parent_w = mkinsub("SFO", "parent_s"),
+ parent_s = mkinsub("SFO", "parent_w"))
+ f_river <- mkinfit(m_ws, test_data_from_UBA_2014[[1]]$data)
+ plot(f_river)
+
+ summary(f_river)$bpar
+ mkinerrmin(f_river)
+
+ # This is the evaluation used for the validation of software packages
+ # in the expertise from 2014
+ m_soil <- mkinmod(parent = mkinsub("SFO", c("M1", "M2")),
+ M1 = mkinsub("SFO", "M3"),
+ M2 = mkinsub("SFO", "M3"),
+ M3 = mkinsub("SFO"),
+ use_of_ff = "max")
+
+ f_soil <- mkinfit(m_soil, test_data_from_UBA_2014[[3]]$data)
+ plot(f_soil)
+ summary(f_soil)$bpar
+ mkinerrmin(f_soil)
+}
+\keyword{datasets}

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