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authored by Michael Klein, in R. Note that results for multiple
applications should be compared to the corresponding results for a
single application. At current, this is not done automatically in
this implementation. Only Step 1 PECs are calculated. However,
input files can be generated that are suitable as input for
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<h1>Calculate PEC surface water at FOCUS Step 1</h1>
<div class="hidden name"><code>PEC_sw_focus.Rd</code></div>
</div>
<div class="ref-description">
<p>This is a reimplementation of the FOCUS Step 1 and 2 calculator version 3.2,
authored by Michael Klein, in R. Note that results for multiple
applications should be compared to the corresponding results for a
single application. At current, this is not done automatically in
this implementation. Only Step 1 PECs are calculated. However,
input files can be generated that are suitable as input for
the FOCUS calculator.</p>
</div>
<div id="ref-usage">
<div class="sourceCode"><pre class="sourceCode r"><code><span><span class="fu">PEC_sw_focus</span><span class="op">(</span></span>
<span> <span class="va">parent</span>,</span>
<span> <span class="va">rate</span>,</span>
<span> n <span class="op">=</span> <span class="fl">1</span>,</span>
<span> i <span class="op">=</span> <span class="cn">NA</span>,</span>
<span> comment <span class="op">=</span> <span class="st">""</span>,</span>
<span> met <span class="op">=</span> <span class="cn">NULL</span>,</span>
<span> f_drift <span class="op">=</span> <span class="cn">NA</span>,</span>
<span> f_rd <span class="op">=</span> <span class="fl">0.1</span>,</span>
<span> scenario <span class="op">=</span> <span class="va">FOCUS_Step_12_scenarios</span><span class="op">$</span><span class="va">names</span>,</span>
<span> region <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">"n"</span>, <span class="st">"s"</span><span class="op">)</span>,</span>
<span> season <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="cn">NA</span>, <span class="st">"of"</span>, <span class="st">"mm"</span>, <span class="st">"js"</span><span class="op">)</span>,</span>
<span> interception <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">"no interception"</span>, <span class="st">"minimal crop cover"</span>, <span class="st">"average crop cover"</span>,</span>
<span> <span class="st">"full canopy"</span><span class="op">)</span>,</span>
<span> met_form_water <span class="op">=</span> <span class="cn">TRUE</span>,</span>
<span> txt_file <span class="op">=</span> <span class="st">"pesticide.txt"</span>,</span>
<span> overwrite <span class="op">=</span> <span class="cn">FALSE</span>,</span>
<span> append <span class="op">=</span> <span class="cn">FALSE</span></span>
<span><span class="op">)</span></span></code></pre></div>
</div>
<div id="arguments">
<h2>Arguments</h2>
<dl><dt>parent</dt>
<dd><p>A list containing substance specific parameters, e.g.
conveniently generated by [chent_focus_sw].</p></dd>
<dt>rate</dt>
<dd><p>The application rate in g/ha. Overriden when
applications are given explicitly</p></dd>
<dt>n</dt>
<dd><p>The number of applications</p></dd>
<dt>i</dt>
<dd><p>The application interval</p></dd>
<dt>comment</dt>
<dd><p>A comment for the input file</p></dd>
<dt>met</dt>
<dd><p>A list containing metabolite specific parameters. e.g.
conveniently generated by [chent_focus_sw]. If not NULL,
the PEC is calculated for this compound, not the parent.</p></dd>
<dt>f_drift</dt>
<dd><p>The fraction of the application rate reaching the waterbody
via drift. If NA, this is derived from the scenario name and the number
of applications via the drift data defined by the
[FOCUS_Step_12_scenarios]</p></dd>
<dt>f_rd</dt>
<dd><p>The fraction of the amount applied reaching the waterbody via
runoff/drainage. At Step 1, it is assumed to be 10<!-- %, be it the -->
parent or a metabolite</p></dd>
<dt>scenario</dt>
<dd><p>The name of the scenario. Must be one of the scenario
names given in [FOCUS_Step_12_scenarios]</p></dd>
<dt>region</dt>
<dd><p>'n' for Northern Europe or 's' for Southern Europe. If NA, only
Step 1 PECsw are calculated</p></dd>
<dt>season</dt>
<dd><p>'of' for October to February, 'mm' for March to May, and 'js'
for June to September. If NA, only step 1 PECsw are calculated</p></dd>
<dt>interception</dt>
<dd><p>One of 'no interception' (default), 'minimal crop cover',
'average crop cover' or 'full canopy'</p></dd>
<dt>met_form_water</dt>
<dd><p>Should the metabolite formation in water be taken into
account? This can be switched off to check the influence and to compare
with previous versions of the Steps 12 calculator</p></dd>
<dt>txt_file</dt>
<dd><p>the name, and potentially the full path to the
Steps.12 input text file to which the specification of the run(s)
should be written</p></dd>
<dt>overwrite</dt>
<dd><p>Should an existing file a the location specified in
<code>txt_file</code> be overwritten? Only takes effect if append is FALSE.</p></dd>
<dt>append</dt>
<dd><p>Should the input text file be appended, if it exists?</p></dd>
</dl></div>
<div id="note">
<h2>Note</h2>
<p>The formulas for input to the waterbody via runoff/drainage of the
parent and subsequent formation of the metabolite in water is not
documented in the model description coming with the calculator. As one would
expect, this appears to be (as we get the same results) calculated by
multiplying the application rate with the molar weight
correction and the formation fraction in water/sediment systems.</p>
<p>Step 2 is not implemented.</p>
</div>
<div id="references">
<h2>References</h2>
<p>FOCUS (2014) Generic guidance for Surface Water Scenarios (version 1.4).
FOrum for the Co-ordination of pesticde fate models and their USe.
http://esdac.jrc.ec.europa.eu/public_path/projects_data/focus/sw/docs/Generic<!-- %20FOCUS_SWS_vc1.4.pdf --></p>
<p>Website of the Steps 1 and 2 calculator at the Joint Research
Center of the European Union:
http://esdac.jrc.ec.europa.eu/projects/stepsonetwo</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"># Parent only</span></span></span>
<span class="r-in"><span><span class="va">dummy_1</span> <span class="op"><-</span> <span class="fu"><a href="chent_focus_sw.html">chent_focus_sw</a></span><span class="op">(</span><span class="st">"Dummy 1"</span>, cwsat <span class="op">=</span> <span class="fl">6000</span>, DT50_ws <span class="op">=</span> <span class="fl">6</span>, Koc <span class="op">=</span> <span class="fl">344.8</span><span class="op">)</span></span></span>
<span class="r-in"><span><span class="fu">PEC_sw_focus</span><span class="op">(</span><span class="va">dummy_1</span>, <span class="fl">3000</span>, f_drift <span class="op">=</span> <span class="fl">0</span><span class="op">)</span></span></span>
<span class="r-out co"><span class="r-pr">#></span> $f_drift</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 0</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $eq_rate_drift_s</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 3000</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $eq_rate_rd_s</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 3000</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $eq_rate_rd_parent_s</span>
<span class="r-out co"><span class="r-pr">#></span> [1] NA</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $input_drift_s</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 0</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $input_rd_s</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 300</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $f_rd_sw</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 0.6850566</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $f_rd_sed</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 0.3149434</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $PEC</span>
<span class="r-out co"><span class="r-pr">#></span> type</span>
<span class="r-out co"><span class="r-pr">#></span> Time PECsw TWAECsw PECsed TWAECsed</span>
<span class="r-out co"><span class="r-pr">#></span> 0 6.850566e+02 NA 2.362075e+03 NA</span>
<span class="r-out co"><span class="r-pr">#></span> 1 6.103161e+02 647.68635 2.104370e+03 2233.2225</span>
<span class="r-out co"><span class="r-pr">#></span> 2 5.437298e+02 612.03420 1.874780e+03 2110.2939</span>
<span class="r-out co"><span class="r-pr">#></span> 4 4.315586e+02 548.76030 1.488014e+03 1892.1255</span>
<span class="r-out co"><span class="r-pr">#></span> 7 3.051580e+02 469.88375 1.052185e+03 1620.1592</span>
<span class="r-out co"><span class="r-pr">#></span> 14 1.359325e+02 339.57370 4.686951e+02 1170.8501</span>
<span class="r-out co"><span class="r-pr">#></span> 21 6.055102e+01 257.45458 2.087799e+02 887.7034</span>
<span class="r-out co"><span class="r-pr">#></span> 28 2.697241e+01 203.47173 9.300089e+01 701.5705</span>
<span class="r-out co"><span class="r-pr">#></span> 42 5.352005e+00 140.10377 1.845371e+01 483.0778</span>
<span class="r-out co"><span class="r-pr">#></span> 50 2.123945e+00 118.24602 7.323361e+00 407.7123</span>
<span class="r-out co"><span class="r-pr">#></span> 100 6.585062e-03 59.30629 2.270529e-02 204.4881</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $PEC_sw_max</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 685.0566</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $PEC_sed_max</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 2362.075</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-in"><span></span></span>
<span class="r-in"><span><span class="co"># Metabolite</span></span></span>
<span class="r-in"><span><span class="va">new_dummy</span> <span class="op"><-</span> <span class="fu"><a href="chent_focus_sw.html">chent_focus_sw</a></span><span class="op">(</span><span class="st">"New Dummy"</span>, mw <span class="op">=</span> <span class="fl">250</span>, Koc <span class="op">=</span> <span class="fl">100</span><span class="op">)</span></span></span>
<span class="r-in"><span><span class="va">M1</span> <span class="op"><-</span> <span class="fu"><a href="chent_focus_sw.html">chent_focus_sw</a></span><span class="op">(</span><span class="st">"M1"</span>, mw <span class="op">=</span> <span class="fl">100</span>, cwsat <span class="op">=</span> <span class="fl">100</span>, DT50_ws <span class="op">=</span> <span class="fl">100</span>, Koc <span class="op">=</span> <span class="fl">50</span>,</span></span>
<span class="r-in"><span> max_ws <span class="op">=</span> <span class="fl">0</span>, max_soil <span class="op">=</span> <span class="fl">0.5</span><span class="op">)</span></span></span>
<span class="r-in"><span><span class="fu">PEC_sw_focus</span><span class="op">(</span><span class="va">new_dummy</span>, <span class="fl">1000</span>, scenario <span class="op">=</span> <span class="st">"cereals, winter"</span>, met <span class="op">=</span> <span class="va">M1</span><span class="op">)</span></span></span>
<span class="r-out co"><span class="r-pr">#></span> $f_drift</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 0.02759</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $eq_rate_drift_s</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 0</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $eq_rate_rd_s</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 200</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $eq_rate_rd_parent_s</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 0</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $input_drift_s</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 0</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $input_rd_s</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 20</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $f_rd_sw</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 0.9375</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $f_rd_sed</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 0.0625</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $PEC</span>
<span class="r-out co"><span class="r-pr">#></span> type</span>
<span class="r-out co"><span class="r-pr">#></span> Time PECsw TWAECsw PECsed TWAECsed</span>
<span class="r-out co"><span class="r-pr">#></span> 0 62.50000 NA 31.25000 NA</span>
<span class="r-out co"><span class="r-pr">#></span> 1 62.06828 62.28414 31.03414 31.14207</span>
<span class="r-out co"><span class="r-pr">#></span> 2 61.63954 62.06890 30.81977 31.03445</span>
<span class="r-out co"><span class="r-pr">#></span> 4 60.79093 61.64158 30.39547 30.82079</span>
<span class="r-out co"><span class="r-pr">#></span> 7 59.53987 61.00800 29.76994 30.50400</span>
<span class="r-out co"><span class="r-pr">#></span> 14 56.71995 59.56326 28.35997 29.78163</span>
<span class="r-out co"><span class="r-pr">#></span> 21 54.03358 58.16414 27.01679 29.08207</span>
<span class="r-out co"><span class="r-pr">#></span> 28 51.47444 56.80902 25.73722 28.40451</span>
<span class="r-out co"><span class="r-pr">#></span> 42 46.71404 54.22460 23.35702 27.11230</span>
<span class="r-out co"><span class="r-pr">#></span> 50 44.19417 52.81945 22.09709 26.40973</span>
<span class="r-out co"><span class="r-pr">#></span> 100 31.25000 45.08422 15.62500 22.54211</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $PEC_sw_max</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 62.5</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
<span class="r-out co"><span class="r-pr">#></span> $PEC_sed_max</span>
<span class="r-out co"><span class="r-pr">#></span> [1] 31.25</span>
<span class="r-out co"><span class="r-pr">#></span> </span>
</code></pre></div>
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