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| author | Ranke Johannes <johannes.ranke@agroscope.admin.ch> | 2024-01-31 13:16:17 +0100 |
|---|---|---|
| committer | Ranke Johannes <johannes.ranke@agroscope.admin.ch> | 2024-01-31 13:27:50 +0100 |
| commit | aed160d7f0eaf5865e2bd9bf6c4b1c9d7b13d911 (patch) | |
| tree | 7ca136834857c12449f50a1e086a589cc9b79e2e /docs/reference/PEC_soil.html | |
| parent | 64f629efbe666bae56f48a309adf33d1eb09c358 (diff) | |
Reorganise data generation
- Use inst/data_generation for R code generating data as in some of my other packages
- data/*.RData files were checked using https://github.com/jranke/dotfiles/blob/main/bin/rda_diff
contents were not changed
- Remove ChangeLog, the history is in the git logs
- Update docs and some links contained therein
- use \doi{} markup
- Move logs to log directory
Diffstat (limited to 'docs/reference/PEC_soil.html')
| -rw-r--r-- | docs/reference/PEC_soil.html | 477 |
1 files changed, 210 insertions, 267 deletions
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If an interval is given, an attempt is made at calculating a long term maximum concentration using the concepts layed out in the PPR panel opinion (EFSA PPR panel 2012 -and in the EFSA guidance on PEC soil calculations (EFSA, 2015, 2017)." /> -<meta name="twitter:card" content="summary" /> - - - - -<!-- 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]> +and in the EFSA guidance on PEC soil calculations (EFSA, 2015, 2017)."><!-- 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]> <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]--> - - - - </head> +<![endif]--></head><body data-spy="scroll" data-target="#toc"> + - <body> <div class="container template-reference-topic"> - <header> - <div class="navbar navbar-default navbar-fixed-top" role="navigation"> + <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" aria-expanded="false"> @@ -73,35 +21,21 @@ and in the EFSA guidance on PEC soil calculations (EFSA, 2015, 2017)." /> </button> <span class="navbar-brand"> <a class="navbar-link" href="../index.html">pfm</a> - <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="Released version">0.5.7</span> + <span class="version label label-default" data-toggle="tooltip" data-placement="bottom" title="">0.6.1</span> </span> </div> <div id="navbar" class="navbar-collapse collapse"> - <ul class="nav navbar-nav"> - <li> - <a href="../index.html"> - <span class="fas fa fas fa-home fa-lg"></span> - - </a> -</li> -<li> + <ul class="nav navbar-nav"><li> <a href="../reference/index.html">Reference</a> </li> - </ul> - <ul class="nav navbar-nav navbar-right"> - - </ul> - - </div><!--/.nav-collapse --> + </ul><ul class="nav navbar-nav navbar-right"></ul></div><!--/.nav-collapse --> </div><!--/.container --> </div><!--/.navbar --> - </header> - -<div class="row"> + </header><div class="row"> <div class="col-md-9 contents"> <div class="page-header"> <h1>Calculate predicted environmental concentrations in soil</h1> @@ -117,164 +51,167 @@ the concepts layed out in the PPR panel opinion (EFSA PPR panel 2012 and in the EFSA guidance on PEC soil calculations (EFSA, 2015, 2017).</p> </div> - <pre class="usage"><span class='fu'>PEC_soil</span>( - <span class='no'>rate</span>, - <span class='kw'>rate_units</span> <span class='kw'>=</span> <span class='st'>"g/ha"</span>, - <span class='kw'>interception</span> <span class='kw'>=</span> <span class='fl'>0</span>, - <span class='kw'>mixing_depth</span> <span class='kw'>=</span> <span class='fl'>5</span>, - <span class='kw'>PEC_units</span> <span class='kw'>=</span> <span class='st'>"mg/kg"</span>, - <span class='kw'>PEC_pw_units</span> <span class='kw'>=</span> <span class='st'>"mg/L"</span>, - <span class='kw'>interval</span> <span class='kw'>=</span> <span class='fl'>NA</span>, - <span class='kw'>n_periods</span> <span class='kw'>=</span> <span class='fl'>Inf</span>, - <span class='kw'>tillage_depth</span> <span class='kw'>=</span> <span class='fl'>20</span>, - <span class='kw'>leaching_depth</span> <span class='kw'>=</span> <span class='no'>tillage_depth</span>, - <span class='kw'>crop</span> <span class='kw'>=</span> <span class='st'>"annual"</span>, - <span class='kw'>cultivation</span> <span class='kw'>=</span> <span class='fl'>FALSE</span>, - <span class='kw'>chent</span> <span class='kw'>=</span> <span class='fl'>NA</span>, - <span class='kw'>DT50</span> <span class='kw'>=</span> <span class='fl'>NA</span>, - <span class='kw'>FOMC</span> <span class='kw'>=</span> <span class='fl'>NA</span>, - <span class='kw'>Koc</span> <span class='kw'>=</span> <span class='fl'>NA</span>, - <span class='kw'>Kom</span> <span class='kw'>=</span> <span class='no'>Koc</span>/<span class='fl'>1.724</span>, - <span class='kw'>t_avg</span> <span class='kw'>=</span> <span class='fl'>0</span>, - <span class='kw'>t_act</span> <span class='kw'>=</span> <span class='kw'>NULL</span>, - <span class='kw'>scenarios</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span>(<span class='st'>"default"</span>, <span class='st'>"EFSA_2017"</span>, <span class='st'>"EFSA_2015"</span>), - <span class='kw'>leaching</span> <span class='kw'>=</span> <span class='no'>scenarios</span> <span class='kw'>==</span> <span class='st'>"EFSA_2017"</span>, - <span class='kw'>porewater</span> <span class='kw'>=</span> <span class='fl'>FALSE</span> -)</pre> - - <h2 class="hasAnchor" id="arguments"><a class="anchor" href="#arguments"></a>Arguments</h2> - <table class="ref-arguments"> - <colgroup><col class="name" /><col class="desc" /></colgroup> - <tr> - <th>rate</th> - <td><p>Application rate in units specified below</p></td> - </tr> - <tr> - <th>rate_units</th> - <td><p>Defaults to g/ha</p></td> - </tr> - <tr> - <th>interception</th> - <td><p>The fraction of the application rate that does not reach the soil</p></td> - </tr> - <tr> - <th>mixing_depth</th> - <td><p>Mixing depth in cm</p></td> - </tr> - <tr> - <th>PEC_units</th> - <td><p>Requested units for the calculated PEC. Only mg/kg currently supported</p></td> - </tr> - <tr> - <th>PEC_pw_units</th> - <td><p>Only mg/L currently supported</p></td> - </tr> - <tr> - <th>interval</th> - <td><p>Period of the deeper mixing. The default is NA, i.e. no + <div id="ref-usage"> + <div class="sourceCode"><pre class="sourceCode r"><code><span><span class="fu">PEC_soil</span><span class="op">(</span></span> +<span> <span class="va">rate</span>,</span> +<span> rate_units <span class="op">=</span> <span class="st">"g/ha"</span>,</span> +<span> interception <span class="op">=</span> <span class="fl">0</span>,</span> +<span> mixing_depth <span class="op">=</span> <span class="fl">5</span>,</span> +<span> PEC_units <span class="op">=</span> <span class="st">"mg/kg"</span>,</span> +<span> PEC_pw_units <span class="op">=</span> <span class="st">"mg/L"</span>,</span> +<span> interval <span class="op">=</span> <span class="cn">NA</span>,</span> +<span> n_periods <span class="op">=</span> <span class="cn">Inf</span>,</span> +<span> tillage_depth <span class="op">=</span> <span class="fl">20</span>,</span> +<span> leaching_depth <span class="op">=</span> <span class="va">tillage_depth</span>,</span> +<span> crop <span class="op">=</span> <span class="st">"annual"</span>,</span> +<span> cultivation <span class="op">=</span> <span class="cn">FALSE</span>,</span> +<span> chent <span class="op">=</span> <span class="cn">NA</span>,</span> +<span> DT50 <span class="op">=</span> <span class="cn">NA</span>,</span> +<span> FOMC <span class="op">=</span> <span class="cn">NA</span>,</span> +<span> Koc <span class="op">=</span> <span class="cn">NA</span>,</span> +<span> Kom <span class="op">=</span> <span class="va">Koc</span><span class="op">/</span><span class="fl">1.724</span>,</span> +<span> t_avg <span class="op">=</span> <span class="fl">0</span>,</span> +<span> t_act <span class="op">=</span> <span class="cn">NULL</span>,</span> +<span> scenarios <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">"default"</span>, <span class="st">"EFSA_2017"</span>, <span class="st">"EFSA_2015"</span><span class="op">)</span>,</span> +<span> leaching <span class="op">=</span> <span class="va">scenarios</span> <span class="op">==</span> <span class="st">"EFSA_2017"</span>,</span> +<span> porewater <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>rate</dt> +<dd><p>Application rate in units specified below</p></dd> + + +<dt>rate_units</dt> +<dd><p>Defaults to g/ha</p></dd> + + +<dt>interception</dt> +<dd><p>The fraction of the application rate that does not reach the soil</p></dd> + + +<dt>mixing_depth</dt> +<dd><p>Mixing depth in cm</p></dd> + + +<dt>PEC_units</dt> +<dd><p>Requested units for the calculated PEC. Only mg/kg currently supported</p></dd> + + +<dt>PEC_pw_units</dt> +<dd><p>Only mg/L currently supported</p></dd> + + +<dt>interval</dt> +<dd><p>Period of the deeper mixing. The default is NA, i.e. no deeper mixing. For annual deeper mixing, set this to 365 when degradation -units are in days</p></td> - </tr> - <tr> - <th>n_periods</th> - <td><p>Number of periods to be considered for long term PEC calculations</p></td> - </tr> - <tr> - <th>tillage_depth</th> - <td><p>Periodic (see interval) deeper mixing in cm</p></td> - </tr> - <tr> - <th>leaching_depth</th> - <td><p>EFSA (2017) uses the mixing depth (ecotoxicological +units are in days</p></dd> + + +<dt>n_periods</dt> +<dd><p>Number of periods to be considered for long term PEC calculations</p></dd> + + +<dt>tillage_depth</dt> +<dd><p>Periodic (see interval) deeper mixing in cm</p></dd> + + +<dt>leaching_depth</dt> +<dd><p>EFSA (2017) uses the mixing depth (ecotoxicological evaluation depth) to calculate leaching for annual crops where tillage takes place. By default, losses from the layer down to the tillage -depth are taken into account in this implementation.</p></td> - </tr> - <tr> - <th>crop</th> - <td><p>Ignored for scenarios other than EFSA_2017. Only annual crops +depth are taken into account in this implementation.</p></dd> + + +<dt>crop</dt> +<dd><p>Ignored for scenarios other than EFSA_2017. Only annual crops are supported when these scenarios are used. Only crops with a single cropping -cycle per year are currently supported.</p></td> - </tr> - <tr> - <th>cultivation</th> - <td><p>Does mechanical cultivation in the sense of EFSA (2017) +cycle per year are currently supported.</p></dd> + + +<dt>cultivation</dt> +<dd><p>Does mechanical cultivation in the sense of EFSA (2017) take place, i.e. twice a year to a depth of 5 cm? Ignored for scenarios -other than EFSA_2017</p></td> - </tr> - <tr> - <th>chent</th> - <td><p>An optional chent object holding substance specific information. Can -also be a name for the substance as a character string</p></td> - </tr> - <tr> - <th>DT50</th> - <td><p>If specified, overrides soil DT50 endpoints from a chent object +other than EFSA_2017</p></dd> + + +<dt>chent</dt> +<dd><p>An optional chent object holding substance specific information. Can +also be a name for the substance as a character string</p></dd> + + +<dt>DT50</dt> +<dd><p>If specified, overrides soil DT50 endpoints from a chent object If DT50 is not specified here and not available from the chent object, zero -degradation is assumed</p></td> - </tr> - <tr> - <th>FOMC</th> - <td><p>If specified, it should be a named numeric vector containing +degradation is assumed</p></dd> + + +<dt>FOMC</dt> +<dd><p>If specified, it should be a named numeric vector containing the FOMC parameters alpha and beta. This overrides any other degradation endpoints, and the degradation during the interval and after the maximum PEC -is calculated using these parameters without temperature correction</p></td> - </tr> - <tr> - <th>Koc</th> - <td><p>If specified, overrides Koc endpoints from a chent object</p></td> - </tr> - <tr> - <th>Kom</th> - <td><p>Calculated from Koc by default, but can explicitly be specified -as Kom here</p></td> - </tr> - <tr> - <th>t_avg</th> - <td><p>Averaging times for time weighted average concentrations</p></td> - </tr> - <tr> - <th>t_act</th> - <td><p>Time series for actual concentrations</p></td> - </tr> - <tr> - <th>scenarios</th> - <td><p>If this is 'default', the DT50 will be used without correction +is calculated using these parameters without temperature correction</p></dd> + + +<dt>Koc</dt> +<dd><p>If specified, overrides Koc endpoints from a chent object</p></dd> + + +<dt>Kom</dt> +<dd><p>Calculated from Koc by default, but can explicitly be specified +as Kom here</p></dd> + + +<dt>t_avg</dt> +<dd><p>Averaging times for time weighted average concentrations</p></dd> + + +<dt>t_act</dt> +<dd><p>Time series for actual concentrations</p></dd> + + +<dt>scenarios</dt> +<dd><p>If this is 'default', the DT50 will be used without correction and soil properties as specified in the REACH guidance (R.16, Table R.16-9) are used for porewater PEC calculations. If this is "EFSA_2015", the DT50 is taken to be a modelling half-life at 20°C and pF2 (for when -'chents' is specified, the DegT50 with destination 'PECgw' will be used), +'chent' is specified, the DegT50 with destination 'PECgw' will be used), and corrected using an Arrhenius activation energy of 65.4 kJ/mol. Also -model and scenario adjustment factors from the EFSA guidance are used.</p></td> - </tr> - <tr> - <th>leaching</th> - <td><p>Should leaching be taken into account? The default is FALSE, -except when the EFSA_2017 scenarios are used.</p></td> - </tr> - <tr> - <th>porewater</th> - <td><p>Should equilibrium porewater concentrations be estimated +model and scenario adjustment factors from the EFSA guidance are used.</p></dd> + + +<dt>leaching</dt> +<dd><p>Should leaching be taken into account? The default is FALSE, +except when the EFSA_2017 scenarios are used.</p></dd> + + +<dt>porewater</dt> +<dd><p>Should equilibrium porewater concentrations be estimated based on Kom and the organic carbon fraction of the soil instead of total soil concentrations? Based on equation (7) given in the PPR panel opinion (EFSA 2012, p. 24) and the scenarios specified in the EFSA guidance (2015, -p. 13).</p></td> - </tr> - </table> +p. 13).</p></dd> - <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2> - - <p>The predicted concentration in soil</p> - <h2 class="hasAnchor" id="details"><a class="anchor" href="#details"></a>Details</h2> +</dl></div> + <div id="value"> + <h2>Value</h2> + +<p>The predicted concentration in soil</p> + </div> + <div id="details"> + <h2>Details</h2> <p>This assumes that the complete load to soil during the time specified by 'interval' (typically 365 days) is dosed at once. As in the PPR panel opinion cited below (EFSA PPR panel 2012), only temperature correction using the Arrhenius equation is performed.</p> <p>Total soil and porewater PEC values for the scenarios as defined in the EFSA guidance (2017, p. 14/15) can easily be calculated.</p> - <h2 class="hasAnchor" id="note"><a class="anchor" href="#note"></a>Note</h2> - + </div> + <div id="note"> + <h2>Note</h2> <p>While time weighted average (TWA) concentrations given in the examples from the EFSA guidance from 2015 (p. 80) are be reproduced, this is not true for the TWA concentrations given for the same example in the EFSA guidance @@ -289,8 +226,9 @@ from 2017 (p. 92).</p> e.g. in the EFSA scenarios, the DT50 for groundwater modelling (destination 'PECgw') is taken from the chent object, otherwise the DT50 with destination 'PECsoil'.</p> - <h2 class="hasAnchor" id="references"><a class="anchor" href="#references"></a>References</h2> - + </div> + <div id="references"> + <h2>References</h2> <p>EFSA Panel on Plant Protection Products and their Residues (2012) Scientific Opinion on the science behind the guidance for scenario selection and scenario parameterisation for predicting environmental @@ -306,75 +244,80 @@ from 2017 (p. 92).</p> protection products and transformation products of these active substances in soil. <em>EFSA Journal</em> <b>13</b>(4) 4093 doi:10.2903/j.efsa.2015.4093</p> - - <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2> - <pre class="examples"><div class='input'><span class='fu'>PEC_soil</span>(<span class='fl'>100</span>, <span class='kw'>interception</span> <span class='kw'>=</span> <span class='fl'>0.25</span>)</div><div class='output co'>#> scenario -#> t_avg default -#> 0 0.1</div><div class='input'> -<span class='co'># This is example 1 starting at p. 92 of the EFSA guidance (2017)</span> -<span class='co'># Note that TWA concentrations differ from the ones given in the guidance</span> -<span class='co'># for an unknown reason (the values from EFSA (2015) can be reproduced).</span> -<span class='fu'>PEC_soil</span>(<span class='fl'>1000</span>, <span class='kw'>interval</span> <span class='kw'>=</span> <span class='fl'>365</span>, <span class='kw'>DT50</span> <span class='kw'>=</span> <span class='fl'>250</span>, <span class='kw'>t_avg</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span>(<span class='fl'>0</span>, <span class='fl'>21</span>), - <span class='kw'>Kom</span> <span class='kw'>=</span> <span class='fl'>1000</span>, <span class='kw'>scenarios</span> <span class='kw'>=</span> <span class='st'>"EFSA_2017"</span>)</div><div class='output co'>#> scenario -#> t_avg CTN CTC CTS -#> 0 19.76834 13.8619 10.53795 -#> 21 19.59345 13.7169 10.39882</div><div class='input'><span class='fu'>PEC_soil</span>(<span class='fl'>1000</span>, <span class='kw'>interval</span> <span class='kw'>=</span> <span class='fl'>365</span>, <span class='kw'>DT50</span> <span class='kw'>=</span> <span class='fl'>250</span>, <span class='kw'>t_av</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span>(<span class='fl'>0</span>, <span class='fl'>21</span>), - <span class='kw'>Kom</span> <span class='kw'>=</span> <span class='fl'>1000</span>, <span class='kw'>scenarios</span> <span class='kw'>=</span> <span class='st'>"EFSA_2017"</span>, <span class='kw'>porewater</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</div><div class='output co'>#> scenario -#> t_avg CLN CLC CLS -#> 0 0.5541984 0.6779249 0.9816693 -#> 21 0.5484576 0.6693125 0.9609119</div><div class='input'> -<span class='co'># This is example 1 starting at p. 79 of the EFSA guidance (2015)</span> -<span class='fu'>PEC_soil</span>(<span class='fl'>1000</span>, <span class='kw'>interval</span> <span class='kw'>=</span> <span class='fl'>365</span>, <span class='kw'>DT50</span> <span class='kw'>=</span> <span class='fl'>250</span>, <span class='kw'>t_avg</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span>(<span class='fl'>0</span>, <span class='fl'>21</span>), - <span class='kw'>scenarios</span> <span class='kw'>=</span> <span class='st'>"EFSA_2015"</span>)</div><div class='output co'>#> scenario -#> t_avg CTN CTC CTS -#> 0 21.96827 11.53750 9.145259 -#> 21 21.78517 11.40701 9.017370</div><div class='input'><span class='fu'>PEC_soil</span>(<span class='fl'>1000</span>, <span class='kw'>interval</span> <span class='kw'>=</span> <span class='fl'>365</span>, <span class='kw'>DT50</span> <span class='kw'>=</span> <span class='fl'>250</span>, <span class='kw'>t_av</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span>(<span class='fl'>0</span>, <span class='fl'>21</span>), - <span class='kw'>Kom</span> <span class='kw'>=</span> <span class='fl'>1000</span>, <span class='kw'>scenarios</span> <span class='kw'>=</span> <span class='st'>"EFSA_2015"</span>, <span class='kw'>porewater</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</div><div class='output co'>#> scenario -#> t_avg CLN CLC CLS -#> 0 0.7589401 0.6674322 0.9147861 -#> 21 0.7506036 0.6590345 0.8987279</div><div class='input'> -<span class='co'># The following is from example 4 starting at p. 85 of the EFSA guidance (2015)</span> -<span class='co'># Metabolite M2</span> -<span class='co'># Calculate total and porewater soil concentrations for tier 1 scenarios</span> -<span class='co'># Relative molar mass is 100/300, formation fraction is 0.7 * 1</span> -<span class='no'>results_pfm</span> <span class='kw'><-</span> <span class='fu'>PEC_soil</span>(<span class='fl'>100</span>/<span class='fl'>300</span> * <span class='fl'>0.7</span> * <span class='fl'>1</span> * <span class='fl'>1000</span>, <span class='kw'>interval</span> <span class='kw'>=</span> <span class='fl'>365</span>, <span class='kw'>DT50</span> <span class='kw'>=</span> <span class='fl'>250</span>, <span class='kw'>t_avg</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span>(<span class='fl'>0</span>, <span class='fl'>21</span>), - <span class='kw'>scenarios</span> <span class='kw'>=</span> <span class='st'>"EFSA_2015"</span>) -<span class='no'>results_pfm_pw</span> <span class='kw'><-</span> <span class='fu'>PEC_soil</span>(<span class='fl'>100</span>/<span class='fl'>300</span> * <span class='fl'>0.7</span> * <span class='fl'>1000</span>, <span class='kw'>interval</span> <span class='kw'>=</span> <span class='fl'>365</span>, <span class='kw'>DT50</span> <span class='kw'>=</span> <span class='fl'>250</span>, <span class='kw'>t_av</span> <span class='kw'>=</span> <span class='fu'><a href='https://rdrr.io/r/base/c.html'>c</a></span>(<span class='fl'>0</span>, <span class='fl'>21</span>), - <span class='kw'>Kom</span> <span class='kw'>=</span> <span class='fl'>100</span>, <span class='kw'>scenarios</span> <span class='kw'>=</span> <span class='st'>"EFSA_2015"</span>, <span class='kw'>porewater</span> <span class='kw'>=</span> <span class='fl'>TRUE</span>)</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="#arguments">Arguments</a></li> - <li><a href="#value">Value</a></li> - <li><a href="#details">Details</a></li> - <li><a href="#note">Note</a></li> - <li><a href="#references">References</a></li> - <li><a href="#examples">Examples</a></li> - </ul> - + </div> + <div id="author"> <h2>Author</h2> <p>Johannes Ranke</p> + </div> + + <div id="ref-examples"> + <h2>Examples</h2> + <div class="sourceCode"><pre class="sourceCode r"><code><span class="r-in"><span><span class="fu">PEC_soil</span><span class="op">(</span><span class="fl">100</span>, interception <span class="op">=</span> <span class="fl">0.25</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> scenario</span> +<span class="r-out co"><span class="r-pr">#></span> t_avg default</span> +<span class="r-out co"><span class="r-pr">#></span> 0 0.1</span> +<span class="r-in"><span></span></span> +<span class="r-in"><span><span class="co"># This is example 1 starting at p. 92 of the EFSA guidance (2017)</span></span></span> +<span class="r-in"><span><span class="co"># Note that TWA concentrations differ from the ones given in the guidance</span></span></span> +<span class="r-in"><span><span class="co"># for an unknown reason (the values from EFSA (2015) can be reproduced).</span></span></span> +<span class="r-in"><span><span class="fu">PEC_soil</span><span class="op">(</span><span class="fl">1000</span>, interval <span class="op">=</span> <span class="fl">365</span>, DT50 <span class="op">=</span> <span class="fl">250</span>, t_avg <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="fl">0</span>, <span class="fl">21</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> Kom <span class="op">=</span> <span class="fl">1000</span>, scenarios <span class="op">=</span> <span class="st">"EFSA_2017"</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> scenario</span> +<span class="r-out co"><span class="r-pr">#></span> t_avg CTN CTC CTS</span> +<span class="r-out co"><span class="r-pr">#></span> 0 19.76834 13.8619 10.53795</span> +<span class="r-out co"><span class="r-pr">#></span> 21 19.59345 13.7169 10.39882</span> +<span class="r-in"><span><span class="fu">PEC_soil</span><span class="op">(</span><span class="fl">1000</span>, interval <span class="op">=</span> <span class="fl">365</span>, DT50 <span class="op">=</span> <span class="fl">250</span>, t_av <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="fl">0</span>, <span class="fl">21</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> Kom <span class="op">=</span> <span class="fl">1000</span>, scenarios <span class="op">=</span> <span class="st">"EFSA_2017"</span>, porewater <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> scenario</span> +<span class="r-out co"><span class="r-pr">#></span> t_avg CLN CLC CLS</span> +<span class="r-out co"><span class="r-pr">#></span> 0 0.5541984 0.6779249 0.9816693</span> +<span class="r-out co"><span class="r-pr">#></span> 21 0.5484576 0.6693125 0.9609119</span> +<span class="r-in"><span></span></span> +<span class="r-in"><span><span class="co"># This is example 1 starting at p. 79 of the EFSA guidance (2015)</span></span></span> +<span class="r-in"><span><span class="fu">PEC_soil</span><span class="op">(</span><span class="fl">1000</span>, interval <span class="op">=</span> <span class="fl">365</span>, DT50 <span class="op">=</span> <span class="fl">250</span>, t_avg <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="fl">0</span>, <span class="fl">21</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> scenarios <span class="op">=</span> <span class="st">"EFSA_2015"</span><span class="op">)</span></span></span> +<span class="r-out co"><span class="r-pr">#></span> scenario</span> +<span class="r-out co"><span class="r-pr">#></span> t_avg CTN CTC CTS</span> +<span class="r-out co"><span class="r-pr">#></span> 0 21.96827 11.53750 9.145259</span> +<span class="r-out co"><span class="r-pr">#></span> 21 21.78517 11.40701 9.017370</span> +<span class="r-in"><span><span class="fu">PEC_soil</span><span class="op">(</span><span class="fl">1000</span>, interval <span class="op">=</span> <span class="fl">365</span>, DT50 <span class="op">=</span> <span class="fl">250</span>, t_av <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="fl">0</span>, <span class="fl">21</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> Kom <span class="op">=</span> <span class="fl">1000</span>, scenarios <span class="op">=</span> <span class="st">"EFSA_2015"</span>, porewater <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> scenario</span> +<span class="r-out co"><span class="r-pr">#></span> t_avg CLN CLC CLS</span> +<span class="r-out co"><span class="r-pr">#></span> 0 0.7589401 0.6674322 0.9147861</span> +<span class="r-out co"><span class="r-pr">#></span> 21 0.7506036 0.6590345 0.8987279</span> +<span class="r-in"><span></span></span> +<span class="r-in"><span><span class="co"># The following is from example 4 starting at p. 85 of the EFSA guidance (2015)</span></span></span> +<span class="r-in"><span><span class="co"># Metabolite M2</span></span></span> +<span class="r-in"><span><span class="co"># Calculate total and porewater soil concentrations for tier 1 scenarios</span></span></span> +<span class="r-in"><span><span class="co"># Relative molar mass is 100/300, formation fraction is 0.7 * 1</span></span></span> +<span class="r-in"><span><span class="va">results_pfm</span> <span class="op"><-</span> <span class="fu">PEC_soil</span><span class="op">(</span><span class="fl">100</span><span class="op">/</span><span class="fl">300</span> <span class="op">*</span> <span class="fl">0.7</span> <span class="op">*</span> <span class="fl">1</span> <span class="op">*</span> <span class="fl">1000</span>, interval <span class="op">=</span> <span class="fl">365</span>, DT50 <span class="op">=</span> <span class="fl">250</span>, t_avg <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="fl">0</span>, <span class="fl">21</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> scenarios <span class="op">=</span> <span class="st">"EFSA_2015"</span><span class="op">)</span></span></span> +<span class="r-in"><span><span class="va">results_pfm_pw</span> <span class="op"><-</span> <span class="fu">PEC_soil</span><span class="op">(</span><span class="fl">100</span><span class="op">/</span><span class="fl">300</span> <span class="op">*</span> <span class="fl">0.7</span> <span class="op">*</span> <span class="fl">1000</span>, interval <span class="op">=</span> <span class="fl">365</span>, DT50 <span class="op">=</span> <span class="fl">250</span>, t_av <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="fl">0</span>, <span class="fl">21</span><span class="op">)</span>,</span></span> +<span class="r-in"><span> Kom <span class="op">=</span> <span class="fl">100</span>, scenarios <span class="op">=</span> <span class="st">"EFSA_2015"</span>, porewater <span class="op">=</span> <span class="cn">TRUE</span><span class="op">)</span></span></span> +</code></pre></div> + </div> </div> + <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> + <nav id="toc" data-toggle="toc" class="sticky-top"><h2 data-toc-skip>Contents</h2> + </nav></div> </div> - <footer> - <div class="copyright"> - <p>Developed by Johannes Ranke.</p> + <footer><div class="copyright"> + <p></p><p>Developed by Johannes Ranke.</p> </div> <div class="pkgdown"> - <p>Site built with <a href="https://pkgdown.r-lib.org/">pkgdown</a> 1.4.1.</p> + <p></p><p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.0.7.</p> </div> - </footer> - </div> + </footer></div> - </body> -</html> 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