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<title>Experimental datasets used for development and testing of error models — experimental_data_for_UBA_2019 • mkin</title>


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<meta property="og:title" content="Experimental datasets used for development and testing of error models — experimental_data_for_UBA_2019" />
<meta property="og:description" content="The 12 datasets were extracted from active substance evaluation dossiers published
 by EFSA. Kinetic evaluations shown for these datasets are intended to illustrate
 and advance error model specifications. The fact that these data and some
 results are shown here do not imply a license to use them in the context of
 pesticide registrations, as the use of the data may be constrained by
 data protection regulations.
Preprocessing of data was performed based on the recommendations of the FOCUS
 kinetics workgroup (FOCUS, 2014) as described below.
Datasets 1 and 2 are from the Renewal Assessment Report (RAR) for imazamox
 (France, 2015, p. 15). For setting values reported as zero, an LOQ of 0.1
 was assumed. Metabolite residues reported for day zero were added to the
 parent compound residues.
Datasets 3 and 4 are from the Renewal Assessment Report (RAR) for isofetamid
 (Belgium, 2014, p. 8) and show the data for two different radiolabels. For
 dataset 4, the value given for the metabolite in the day zero sampling
 in replicate B was added to the parent compound, following the respective
 FOCUS recommendation.
Dataset 5 is from the Renewal Assessment Report (RAR) for ethofumesate
 (Austria, 2015, p. 16).
Datasets 6 to 10 are from the Renewal Assessment Report (RAR) for glyphosate
 (Germany, 2013a, pages 8, 28, 50, 51). For the initial sampling,
 the residues given for the metabolite were added to the parent
 value, following the recommendation of the FOCUS kinetics workgroup.
Dataset 11 is from the Renewal Assessment Report (RAR) for 2,4-D
 (Germany, 2013b, p. 644). Values reported as zero were set to NA, with
 the exception of the day three sampling of metabolite A2, which was set
 to one half of the LOD reported to be 1% AR.
Dataset 12 is from the Renewal Assessment Report (RAR) for thifensulfuron-methyl
 (United Kingdom, 2014, p. 81)." />




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    <h1>Experimental datasets used for development and testing of error models</h1>
    
    <div class="hidden name"><code>experimental_data_for_UBA.Rd</code></div>
    </div>

    <div class="ref-description">
    <p>The 12 datasets were extracted from active substance evaluation dossiers published
 by EFSA. Kinetic evaluations shown for these datasets are intended to illustrate
 and advance error model specifications. The fact that these data and some
 results are shown here do not imply a license to use them in the context of
 pesticide registrations, as the use of the data may be constrained by
 data protection regulations.</p>
<p>Preprocessing of data was performed based on the recommendations of the FOCUS
 kinetics workgroup (FOCUS, 2014) as described below.</p>
<p>Datasets 1 and 2 are from the Renewal Assessment Report (RAR) for imazamox
 (France, 2015, p. 15). For setting values reported as zero, an LOQ of 0.1
 was assumed. Metabolite residues reported for day zero were added to the
 parent compound residues.</p>
<p>Datasets 3 and 4 are from the Renewal Assessment Report (RAR) for isofetamid
 (Belgium, 2014, p. 8) and show the data for two different radiolabels. For
 dataset 4, the value given for the metabolite in the day zero sampling
 in replicate B was added to the parent compound, following the respective
 FOCUS recommendation.</p>
<p>Dataset 5 is from the Renewal Assessment Report (RAR) for ethofumesate
 (Austria, 2015, p. 16).</p>
<p>Datasets 6 to 10 are from the Renewal Assessment Report (RAR) for glyphosate
 (Germany, 2013a, pages 8, 28, 50, 51). For the initial sampling,
 the residues given for the metabolite were added to the parent
 value, following the recommendation of the FOCUS kinetics workgroup.</p>
<p>Dataset 11 is from the Renewal Assessment Report (RAR) for 2,4-D
 (Germany, 2013b, p. 644). Values reported as zero were set to NA, with
 the exception of the day three sampling of metabolite A2, which was set
 to one half of the LOD reported to be 1% AR.</p>
<p>Dataset 12 is from the Renewal Assessment Report (RAR) for thifensulfuron-methyl
 (United Kingdom, 2014, p. 81).</p>
    </div>

    <pre class="usage"><span class='no'>experimental_data_for_UBA_2019</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'>
    <dt><code>title</code></dt><dd><p>The name of the dataset, e.g. <code>Soil 1</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>Austria (2015). Ethofumesate Renewal Assessment Report Volume 3 Annex B.8 (AS)</p>
<p>Belgium (2014). Isofetamid (IKF-5411) Draft Assessment Report Volume 3 Annex B.8 (AS)</p>
<p>France (2015). Imazamox Draft Renewal Assessment Report Volume 3 Annex B.8 (AS)</p>
<p>FOCUS (2014) &#8220;Generic guidance for Estimating Persistence and
  Degradation Kinetics from Environmental Fate Studies on Pesticides in EU
  Registration&#8221; Report of the FOCUS Work Group on Degradation Kinetics,
  Version 1.1, 18 December 2014
  <a href='http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics'>http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a></p>
<p>Germany (2013a). Renewal Assessment Report Glyphosate Volume 3 Annex B.8: Environmental Fate
  and Behaviour</p>
<p>Germany (2013b). Renewal Assessment Report 2,4-D Volume 3 Annex B.8: Fate and behaviour in the
  environment</p>
<p>Ranke (2019) Documentation of results obtained for the error model expertise
  written for the German Umweltbundesamt.</p>
<p>United Kingdom (2014). Thifensulfuron-methyl - Annex B.8 (Volume 3) to the Report and Proposed
  Decision of the United Kingdom made to the European Commission under Regulation (EC) No.
  1141/2010 for renewal of an active substance</p>

    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
    <pre class="examples"><div class='input'><span class='co'># \dontrun{</span>

<span class='co'># Model definitions</span>
<span class='no'>sfo_sfo</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='kw'>to</span> <span class='kw'>=</span> <span class='st'>"A1"</span>),
  <span class='kw'>A1</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'>dfop_sfo</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'>"DFOP"</span>, <span class='kw'>to</span> <span class='kw'>=</span> <span class='st'>"A1"</span>),
  <span class='kw'>A1</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'>sfo_sfo_sfo</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='kw'>to</span> <span class='kw'>=</span> <span class='st'>"A1"</span>),
  <span class='kw'>A1</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>, <span class='kw'>to</span> <span class='kw'>=</span> <span class='st'>"A2"</span>),
  <span class='kw'>A2</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'>dfop_sfo_sfo</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'>"DFOP"</span>, <span class='kw'>to</span> <span class='kw'>=</span> <span class='st'>"A1"</span>),
  <span class='kw'>A1</span> <span class='kw'>=</span> <span class='fu'><a href='mkinsub.html'>mkinsub</a></span>(<span class='st'>"SFO"</span>, <span class='kw'>to</span> <span class='kw'>=</span> <span class='st'>"A2"</span>),
  <span class='kw'>A2</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'>d_1_2</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/base/lapply.html'>lapply</a></span>(<span class='no'>experimental_data_for_UBA_2019</span>[<span class='fl'>1</span>:<span class='fl'>2</span>], <span class='kw'>function</span>(<span class='no'>x</span>) <span class='no'>x</span>$<span class='no'>data</span>)
<span class='fu'><a href='https://rdrr.io/r/base/names.html'>names</a></span>(<span class='no'>d_1_2</span>) <span class='kw'>&lt;-</span> <span class='fu'><a href='https://rdrr.io/r/base/paste.html'>paste</a></span>(<span class='st'>"Soil"</span>, <span class='fl'>1</span>:<span class='fl'>2</span>)


<span class='no'>f_1_2_tc</span> <span class='kw'>&lt;-</span> <span class='fu'><a href='mmkin.html'>mmkin</a></span>(<span class='fu'><a href='https://rdrr.io/r/base/list.html'>list</a></span>(<span class='st'>"DFOP-SFO-SFO"</span> <span class='kw'>=</span> <span class='no'>dfop_sfo_sfo</span>), <span class='no'>d_1_2</span>, <span class='kw'>error_model</span> <span class='kw'>=</span> <span class='st'>"tc"</span>)

<span class='fu'><a href='https://rdrr.io/r/base/plot.html'>plot</a></span>(<span class='no'>f_1_2_tc</span>, <span class='kw'>resplot</span> <span class='kw'>=</span> <span class='st'>"errmod"</span>)</div><div class='img'><img src='experimental_data_for_UBA-1.png' alt='' width='700' height='433' /></div><div class='input'>
# }</div></pre>
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