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diff --git a/docs/dev/reference/D24_2014.html b/docs/dev/reference/D24_2014.html new file mode 100644 index 00000000..890e91d8 --- /dev/null +++ b/docs/dev/reference/D24_2014.html @@ -0,0 +1,218 @@ +<!DOCTYPE html> +<!-- Generated by pkgdown: do not edit by hand --><html lang="en"><head><meta http-equiv="Content-Type" content="text/html; charset=UTF-8"><meta charset="utf-8"><meta http-equiv="X-UA-Compatible" content="IE=edge"><meta name="viewport" content="width=device-width, initial-scale=1, shrink-to-fit=no"><title>Aerobic soil degradation data on 2,4-D from the EU assessment in 2014 — D24_2014 • mkin</title><script src="../deps/jquery-3.6.0/jquery-3.6.0.min.js"></script><meta name="viewport" content="width=device-width, initial-scale=1, shrink-to-fit=no"><link href="../deps/bootstrap-5.3.1/bootstrap.min.css" rel="stylesheet"><script src="../deps/bootstrap-5.3.1/bootstrap.bundle.min.js"></script><link href="../deps/font-awesome-6.5.2/css/all.min.css" rel="stylesheet"><link href="../deps/font-awesome-6.5.2/css/v4-shims.min.css" rel="stylesheet"><script src="../deps/headroom-0.11.0/headroom.min.js"></script><script src="../deps/headroom-0.11.0/jQuery.headroom.min.js"></script><script src="../deps/bootstrap-toc-1.0.1/bootstrap-toc.min.js"></script><script src="../deps/clipboard.js-2.0.11/clipboard.min.js"></script><script src="../deps/search-1.0.0/autocomplete.jquery.min.js"></script><script src="../deps/search-1.0.0/fuse.min.js"></script><script src="../deps/search-1.0.0/mark.min.js"></script><!-- pkgdown --><script src="../pkgdown.js"></script><meta property="og:title" content="Aerobic soil degradation data on 2,4-D from the EU assessment in 2014 — D24_2014"><meta name="description" content="The five datasets were extracted from the active substance evaluation dossier +published by EFSA. Kinetic evaluations shown for these datasets are intended +to illustrate and advance kinetic modelling. The fact that these data and +some results are shown here does 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."><meta property="og:description" content="The five datasets were extracted from the active substance evaluation dossier +published by EFSA. Kinetic evaluations shown for these datasets are intended +to illustrate and advance kinetic modelling. 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from the EU assessment in 2014</h1> + <small class="dont-index">Source: <a href="https://github.com/jranke/mkin/blob/HEAD/R/D24_2014.R" class="external-link"><code>R/D24_2014.R</code></a></small> + <div class="d-none name"><code>D24_2014.Rd</code></div> + </div> + + <div class="ref-description section level2"> + <p>The five datasets were extracted from the active substance evaluation dossier +published by EFSA. Kinetic evaluations shown for these datasets are intended +to illustrate and advance kinetic modelling. The fact that these data and +some results are shown here does 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> + </div> + + <div class="section level2"> + <h2 id="ref-usage">Usage<a class="anchor" aria-label="anchor" href="#ref-usage"></a></h2> + <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="va">D24_2014</span></span></code></pre></div> + </div> + + <div class="section level2"> + <h2 id="format">Format<a class="anchor" aria-label="anchor" href="#format"></a></h2> + <p>An <a href="mkindsg.html">mkindsg</a> object grouping five datasets</p> + </div> + <div class="section level2"> + <h2 id="source">Source<a class="anchor" aria-label="anchor" href="#source"></a></h2> + <p>Hellenic Ministry of Rural Development and Agriculture (2014) +Final addendum to the Renewal Assessment Report - public version - 2,4-D +Volume 3 Annex B.8 Fate and behaviour in the environment +https://open.efsa.europa.eu/study-inventory/EFSA-Q-2013-00811</p> + </div> + <div class="section level2"> + <h2 id="details">Details<a class="anchor" aria-label="anchor" href="#details"></a></h2> + <p>Data for the first dataset are from p. 685. Data for the other four +datasets were used in the preprocessed versions given in the kinetics +section (p. 761ff.), with the exception of residues smaller than 1 for DCP +in the soil from Site I2, where the values given on p. 694 were used.</p> +<p>The R code used to create this data object is installed with this package +in the 'dataset_generation' directory. In the code, page numbers are given for +specific pieces of information in the comments.</p> + </div> + + <div class="section level2"> + <h2 id="ref-examples">Examples<a class="anchor" aria-label="anchor" href="#ref-examples"></a></h2> + <div class="sourceCode"><pre class="sourceCode r"><code><span class="r-in"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">D24_2014</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> <mkindsg> holding 5 mkinds objects</span> +<span class="r-out co"><span class="r-pr">#></span> Title $title: Aerobic soil degradation data on 2,4-D from the EU assessment in 2014 </span> +<span class="r-out co"><span class="r-pr">#></span> Occurrence of observed compounds $observed_n:</span> +<span class="r-out co"><span class="r-pr">#></span> D24 DCP DCA </span> +<span class="r-out co"><span class="r-pr">#></span> 5 4 4 </span> +<span class="r-out co"><span class="r-pr">#></span> Time normalisation factors $f_time_norm:</span> +<span class="r-out co"><span class="r-pr">#></span> [1] 1.6062378 0.7118732 0.7156063 0.7156063 0.8977124</span> +<span class="r-out co"><span class="r-pr">#></span> Meta information $meta:</span> +<span class="r-out co"><span class="r-pr">#></span> study usda_soil_type study_moisture_ref_type</span> +<span class="r-out co"><span class="r-pr">#></span> Mississippi Cohen 1991 Silt loam <NA></span> +<span class="r-out co"><span class="r-pr">#></span> Fayette Liu and Adelfinskaya 2011 Silt loam pF1</span> +<span class="r-out co"><span class="r-pr">#></span> RefSol 03-G Liu and Adelfinskaya 2011 Loam pF1</span> +<span class="r-out co"><span class="r-pr">#></span> Site E1 Liu and Adelfinskaya 2011 Loam pF1</span> +<span class="r-out co"><span class="r-pr">#></span> Site I2 Liu and Adelfinskaya 2011 Loamy sand pF1</span> +<span class="r-out co"><span class="r-pr">#></span> rel_moisture temperature</span> +<span class="r-out co"><span class="r-pr">#></span> Mississippi NA 25</span> +<span class="r-out co"><span class="r-pr">#></span> Fayette 0.5 20</span> +<span class="r-out co"><span class="r-pr">#></span> RefSol 03-G 0.5 20</span> +<span class="r-out co"><span class="r-pr">#></span> Site E1 0.5 20</span> +<span class="r-out co"><span class="r-pr">#></span> Site I2 0.5 20</span> +<span class="r-in"><span><span class="co"># \dontrun{</span></span></span> +<span class="r-in"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">D24_2014</span><span class="op">$</span><span class="va">ds</span><span class="op">[[</span><span class="fl">1</span><span class="op">]</span><span class="op">]</span>, data <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> <mkinds> with $title: Mississippi </span> +<span class="r-out co"><span class="r-pr">#></span> Observed compounds $observed: D24 </span> +<span class="r-out co"><span class="r-pr">#></span> Sampling times $sampling_times:</span> +<span class="r-out co"><span class="r-pr">#></span> 0, 2, 4, 7, 15, 24, 35, 56, 71, 114, 183, 273, 365 </span> +<span class="r-out co"><span class="r-pr">#></span> With a maximum of 1 replicates</span> +<span class="r-out co"><span class="r-pr">#></span> time D24</span> +<span class="r-out co"><span class="r-pr">#></span> 1 0 96.8</span> +<span class="r-out co"><span class="r-pr">#></span> 2 2 81.0</span> +<span class="r-out co"><span class="r-pr">#></span> 3 4 81.7</span> +<span class="r-out co"><span class="r-pr">#></span> 4 7 88.2</span> +<span class="r-out co"><span class="r-pr">#></span> 5 15 66.3</span> +<span class="r-out co"><span class="r-pr">#></span> 6 24 72.9</span> +<span class="r-out co"><span class="r-pr">#></span> 7 35 62.6</span> +<span class="r-out co"><span class="r-pr">#></span> 8 56 54.6</span> +<span class="r-out co"><span class="r-pr">#></span> 9 71 35.2</span> +<span class="r-out co"><span class="r-pr">#></span> 10 114 18.0</span> +<span class="r-out co"><span class="r-pr">#></span> 11 183 11.3</span> +<span class="r-out co"><span class="r-pr">#></span> 12 273 9.9</span> +<span class="r-out co"><span class="r-pr">#></span> 13 365 6.3</span> +<span class="r-in"><span><span class="va">m_D24</span> <span class="op">=</span> <span class="fu"><a href="mkinmod.html">mkinmod</a></span><span class="op">(</span>D24 <span class="op">=</span> <span class="fu"><a href="mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span>, to <span class="op">=</span> <span class="st">"DCP"</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> DCP <span class="op">=</span> <span class="fu"><a href="mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span>, to <span class="op">=</span> <span class="st">"DCA"</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> DCA <span class="op">=</span> <span class="fu"><a href="mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span><span class="op">)</span><span class="op">)</span></span></span> +<span class="r-msg co"><span class="r-pr">#></span> Temporary DLL for differentials generated and loaded</span> +<span class="r-in"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">m_D24</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> <mkinmod> model generated with</span> +<span class="r-out co"><span class="r-pr">#></span> Use of formation fractions $use_of_ff: max </span> +<span class="r-out co"><span class="r-pr">#></span> Specification $spec:</span> +<span class="r-out co"><span class="r-pr">#></span> $D24</span> +<span class="r-out co"><span class="r-pr">#></span> $type: SFO; $to: DCP; $sink: TRUE</span> +<span class="r-out co"><span class="r-pr">#></span> $DCP</span> +<span class="r-out co"><span class="r-pr">#></span> $type: SFO; $to: DCA; $sink: TRUE</span> +<span class="r-out co"><span class="r-pr">#></span> $DCA</span> +<span class="r-out co"><span class="r-pr">#></span> $type: SFO; $sink: TRUE</span> +<span class="r-out co"><span class="r-pr">#></span> Coefficient matrix $coefmat available</span> +<span class="r-out co"><span class="r-pr">#></span> Compiled model $cf available</span> +<span class="r-out co"><span class="r-pr">#></span> Differential equations:</span> +<span class="r-out co"><span class="r-pr">#></span> d_D24/dt = - k_D24 * D24</span> +<span class="r-out co"><span class="r-pr">#></span> d_DCP/dt = + f_D24_to_DCP * k_D24 * D24 - k_DCP * DCP</span> +<span class="r-out co"><span class="r-pr">#></span> d_DCA/dt = + f_DCP_to_DCA * k_DCP * DCP - k_DCA * DCA</span> +<span class="r-in"><span><span class="va">m_D24_2</span> <span class="op">=</span> <span class="fu"><a href="mkinmod.html">mkinmod</a></span><span class="op">(</span>D24 <span class="op">=</span> <span class="fu"><a href="mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"DFOP"</span>, to <span class="op">=</span> <span class="st">"DCP"</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> DCP <span class="op">=</span> <span class="fu"><a href="mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span>, to <span class="op">=</span> <span class="st">"DCA"</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> DCA <span class="op">=</span> <span class="fu"><a href="mkinmod.html">mkinsub</a></span><span class="op">(</span><span class="st">"SFO"</span><span class="op">)</span><span class="op">)</span></span></span> +<span class="r-msg co"><span class="r-pr">#></span> Temporary DLL for differentials generated and loaded</span> +<span class="r-in"><span><span class="fu"><a href="https://rdrr.io/r/base/print.html" class="external-link">print</a></span><span class="op">(</span><span class="va">m_D24_2</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> <mkinmod> model generated with</span> +<span class="r-out co"><span class="r-pr">#></span> Use of formation fractions $use_of_ff: max </span> +<span class="r-out co"><span class="r-pr">#></span> Specification $spec:</span> +<span class="r-out co"><span class="r-pr">#></span> $D24</span> +<span class="r-out co"><span class="r-pr">#></span> $type: DFOP; $to: DCP; $sink: TRUE</span> +<span class="r-out co"><span class="r-pr">#></span> $DCP</span> +<span class="r-out co"><span class="r-pr">#></span> $type: SFO; $to: DCA; $sink: TRUE</span> +<span class="r-out co"><span class="r-pr">#></span> $DCA</span> +<span class="r-out co"><span class="r-pr">#></span> $type: SFO; $sink: TRUE</span> +<span class="r-out co"><span class="r-pr">#></span> Compiled model $cf available</span> +<span class="r-out co"><span class="r-pr">#></span> Differential equations:</span> +<span class="r-out co"><span class="r-pr">#></span> d_D24/dt = - ((k1 * g * exp(-k1 * time) + k2 * (1 - g) * exp(-k2 *</span> +<span class="r-out co"><span class="r-pr">#></span> time)) / (g * exp(-k1 * time) + (1 - g) * exp(-k2 * time)))</span> +<span class="r-out co"><span class="r-pr">#></span> * D24</span> +<span class="r-out co"><span class="r-pr">#></span> d_DCP/dt = + f_D24_to_DCP * ((k1 * g * exp(-k1 * time) + k2 * (1 - g) *</span> +<span class="r-out co"><span class="r-pr">#></span> exp(-k2 * time)) / (g * exp(-k1 * time) + (1 - g) * exp(-k2</span> +<span class="r-out co"><span class="r-pr">#></span> * time))) * D24 - k_DCP * DCP</span> +<span class="r-out co"><span class="r-pr">#></span> d_DCA/dt = + f_DCP_to_DCA * k_DCP * DCP - k_DCA * DCA</span> +<span class="r-in"><span><span class="co"># }</span></span></span> +</code></pre></div> + </div> + </main><aside class="col-md-3"><nav id="toc" aria-label="Table of contents"><h2>On this page</h2> + </nav></aside></div> + + + <footer><div class="pkgdown-footer-left"> + <p>Developed by Johannes Ranke.</p> +</div> + +<div class="pkgdown-footer-right"> + <p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.1.1.</p> +</div> + + </footer></div> + + + + + + </body></html> + |