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 software packages (Ranke, 2014)."><!-- 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]>
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    <div class="page-header">
    <h1>Three experimental datasets from two water sediment systems and one soil</h1>
    
    <div class="hidden name"><code>test_data_from_UBA_2014.Rd</code></div>
    </div>

    <div class="ref-description">
    <p>The datasets were used for the comparative validation of several kinetic evaluation
 software packages (Ranke, 2014).</p>
    </div>

    <div id="ref-usage">
    <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="va">test_data_from_UBA_2014</span></span></code></pre></div>
    </div>

    <div id="format">
    <h2>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><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></div>
    <div id="source">
    <h2>Source</h2>
    <p>Ranke (2014) Prüfung und Validierung von Modellierungssoftware als Alternative
  zu ModelMaker 4.0, Umweltbundesamt Projektnummer 27452</p>
    </div>

    <div id="ref-examples">
    <h2>Examples</h2>
    <div class="sourceCode"><pre class="sourceCode r"><code><span class="r-in"><span>  <span class="co"># \dontrun{</span></span></span>
<span class="r-in"><span>  <span class="co"># This is a level P-II evaluation of the dataset according to the FOCUS kinetics</span></span></span>
<span class="r-in"><span>  <span class="co"># guidance. Due to the strong correlation of the parameter estimates, the</span></span></span>
<span class="r-in"><span>  <span class="co"># covariance matrix is not returned. Note that level P-II evaluations are</span></span></span>
<span class="r-in"><span>  <span class="co"># generally considered deprecated due to the frequent occurrence of such</span></span></span>
<span class="r-in"><span>  <span class="co"># large parameter correlations, among other reasons (e.g. the adequacy of the</span></span></span>
<span class="r-in"><span>  <span class="co"># model).</span></span></span>
<span class="r-in"><span>  <span class="va">m_ws</span> <span class="op">&lt;-</span> <span class="fu"><a href="mkinmod.html">mkinmod</a></span><span class="op">(</span>parent_w <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="st">"parent_s"</span><span class="op">)</span>,</span></span>
<span class="r-in"><span>                  parent_s <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="st">"parent_w"</span><span class="op">)</span><span class="op">)</span></span></span>
<span class="r-msg co"><span class="r-pr">#&gt;</span> Temporary DLL for differentials generated and loaded</span>
<span class="r-in"><span>  <span class="va">f_river</span> <span class="op">&lt;-</span> <span class="fu"><a href="mkinfit.html">mkinfit</a></span><span class="op">(</span><span class="va">m_ws</span>, <span class="va">test_data_from_UBA_2014</span><span class="op">[[</span><span class="fl">1</span><span class="op">]</span><span class="op">]</span><span class="op">$</span><span class="va">data</span>, quiet <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></span>
<span class="r-wrn co"><span class="r-pr">#&gt;</span> <span class="warning">Warning: </span>Observations with value of zero were removed from the data</span>
<span class="r-in"><span>  <span class="fu"><a href="plot.mkinfit.html">plot_sep</a></span><span class="op">(</span><span class="va">f_river</span><span class="op">)</span></span></span>
<span class="r-plt img"><img src="test_data_from_UBA_2014-1.png" alt="" width="700" height="433"></span>
<span class="r-in"><span></span></span>
<span class="r-in"><span>  <span class="fu"><a href="https://rdrr.io/pkg/saemix/man/summary-methods.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">f_river</span><span class="op">)</span><span class="op">$</span><span class="va">bpar</span></span></span>
<span class="r-wrn co"><span class="r-pr">#&gt;</span> <span class="warning">Warning: </span>Could not calculate correlation; no covariance matrix</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>                           Estimate se_notrans t value Pr(&gt;t) Lower Upper</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> parent_w_0             95.91998118         NA      NA     NA    NA    NA</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> k_parent_w              0.41145375         NA      NA     NA    NA    NA</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> k_parent_s              0.04663944         NA      NA     NA    NA    NA</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> f_parent_w_to_parent_s  0.12467894         NA      NA     NA    NA    NA</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> f_parent_s_to_parent_w  0.50000000         NA      NA     NA    NA    NA</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> sigma                   3.13612618         NA      NA     NA    NA    NA</span>
<span class="r-in"><span>  <span class="fu"><a href="mkinerrmin.html">mkinerrmin</a></span><span class="op">(</span><span class="va">f_river</span><span class="op">)</span></span></span>
<span class="r-out co"><span class="r-pr">#&gt;</span>            err.min n.optim df</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> All data 0.1090929       5  6</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> parent_w 0.0817436       3  3</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> parent_s 0.1619965       2  3</span>
<span class="r-in"><span></span></span>
<span class="r-in"><span>  <span class="co"># This is the evaluation used for the validation of software packages</span></span></span>
<span class="r-in"><span>  <span class="co"># in the expertise from 2014</span></span></span>
<span class="r-in"><span>  <span class="va">m_soil</span> <span class="op">&lt;-</span> <span class="fu"><a href="mkinmod.html">mkinmod</a></span><span class="op">(</span>parent <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="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span><span class="st">"M1"</span>, <span class="st">"M2"</span><span class="op">)</span><span class="op">)</span>,</span></span>
<span class="r-in"><span>                    M1 <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="st">"M3"</span><span class="op">)</span>,</span></span>
<span class="r-in"><span>                    M2 <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="st">"M3"</span><span class="op">)</span>,</span></span>
<span class="r-in"><span>                    M3 <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></span>
<span class="r-in"><span>                    use_of_ff <span class="op">=</span> <span class="st">"max"</span><span class="op">)</span></span></span>
<span class="r-msg co"><span class="r-pr">#&gt;</span> Temporary DLL for differentials generated and loaded</span>
<span class="r-in"><span></span></span>
<span class="r-in"><span>  <span class="va">f_soil</span> <span class="op">&lt;-</span> <span class="fu"><a href="mkinfit.html">mkinfit</a></span><span class="op">(</span><span class="va">m_soil</span>, <span class="va">test_data_from_UBA_2014</span><span class="op">[[</span><span class="fl">3</span><span class="op">]</span><span class="op">]</span><span class="op">$</span><span class="va">data</span>, quiet <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></span>
<span class="r-wrn co"><span class="r-pr">#&gt;</span> <span class="warning">Warning: </span>Observations with value of zero were removed from the data</span>
<span class="r-in"><span>  <span class="fu"><a href="plot.mkinfit.html">plot_sep</a></span><span class="op">(</span><span class="va">f_soil</span>, lpos <span class="op">=</span> <span class="fu"><a href="https://rdrr.io/r/base/c.html" class="external-link">c</a></span><span class="op">(</span><span class="st">"topright"</span>, <span class="st">"topright"</span>, <span class="st">"topright"</span>, <span class="st">"bottomright"</span><span class="op">)</span><span class="op">)</span></span></span>
<span class="r-plt img"><img src="test_data_from_UBA_2014-2.png" alt="" width="700" height="433"></span>
<span class="r-in"><span>  <span class="fu"><a href="https://rdrr.io/pkg/saemix/man/summary-methods.html" class="external-link">summary</a></span><span class="op">(</span><span class="va">f_soil</span><span class="op">)</span><span class="op">$</span><span class="va">bpar</span></span></span>
<span class="r-out co"><span class="r-pr">#&gt;</span>                   Estimate  se_notrans    t value       Pr(&gt;t)        Lower</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> parent_0       76.55425650 0.859186399 89.1008710 1.113861e-26 74.755959418</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> k_parent        0.12081956 0.004601918 26.2541722 1.077359e-16  0.111561575</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> k_M1            0.84258615 0.806160102  1.0451846 1.545268e-01  0.113779609</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> k_M2            0.04210880 0.017083034  2.4649483 1.170188e-02  0.018013857</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> k_M3            0.01122918 0.007245856  1.5497385 6.885052e-02  0.002909431</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> f_parent_to_M1  0.32240200 0.240783943  1.3389680 9.819076e-02           NA</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> f_parent_to_M2  0.16099855 0.033691952  4.7785464 6.531136e-05           NA</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> f_M1_to_M3      0.27921507 0.269423780  1.0363416 1.565267e-01  0.022978205</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> f_M2_to_M3      0.55641252 0.595119966  0.9349586 1.807707e-01  0.008002509</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> sigma           1.14005399 0.149696423  7.6157731 1.727024e-07  0.826735778</span>
<span class="r-out co"><span class="r-pr">#&gt;</span>                      Upper</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> parent_0       78.35255358</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> k_parent        0.13084582</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> k_M1            6.23970702</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> k_M2            0.09843260</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> k_M3            0.04333992</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> f_parent_to_M1          NA</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> f_parent_to_M2          NA</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> f_M1_to_M3      0.86450775</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> f_M2_to_M3      0.99489895</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> sigma           1.45337221</span>
<span class="r-in"><span>  <span class="fu"><a href="mkinerrmin.html">mkinerrmin</a></span><span class="op">(</span><span class="va">f_soil</span><span class="op">)</span></span></span>
<span class="r-out co"><span class="r-pr">#&gt;</span>             err.min n.optim df</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> All data 0.09649963       9 20</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> parent   0.04721283       2  6</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> M1       0.26551208       2  5</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> M2       0.20327575       2  5</span>
<span class="r-out co"><span class="r-pr">#&gt;</span> M3       0.05196550       3  4</span>
<span class="r-in"><span>  <span class="co"># }</span></span></span>
</code></pre></div>
    </div>
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