Exposit runoff calculations for surface water

author: Johannes Ranke <jranke@uni-bremen.de> 2017-10-27 18:15:29 +0200
committer: Johannes Ranke <jranke@uni-bremen.de> 2017-10-27 18:15:29 +0200
commit: 06b528f0c19ca9f7a311612c0e9ae80c0d0c1d3f (patch)
tree: 4a848f6f825289cdd12d4ff10c26f582854cb792
parent: 2cd464455a22791c0450ada45a0e0128c637fade (diff)
17 files changed, 875 insertions, 2 deletions
diff --git a/ChangeLog b/ChangeLog
index b236efe..c9c1ce8 100644
--- a/ChangeLog
+++ b/ChangeLog
@@ -1,3 +1,9 @@
+commit 2cd464455a22791c0450ada45a0e0128c637fade
+Author: Johannes Ranke <jranke@uni-bremen.de>
+Date:   2017-10-23 15:19:03 +0200
+
+    Typos, rebuild static docs
+
 commit 6f6575701d9b028af4b3b1b4b61c36d4989e2812
 Author: Johannes Ranke <jranke@uni-bremen.de>
 Date:   2017-10-10 14:03:20 +0200
diff --git a/DESCRIPTION b/DESCRIPTION
index 64e0499..a7becb0 100644
--- a/DESCRIPTION
+++ b/DESCRIPTION
@@ -2,7 +2,7 @@ Package: pfm
 Type: Package
 Title: Utilities for Pesticide Fate Modelling
 Version: 0.4-5
-Date: 2017-10-23
+Date: 2017-10-27
 Authors@R: person("Johannes Ranke", email = "jranke@uni-bremen.de",
                   role = c("aut", "cre", "cph"),
                   comment = c(ORCID = "0000-0003-4371-6538"))
diff --git a/NAMESPACE b/NAMESPACE
index 7a5c668..141a68c 100644
--- a/NAMESPACE
+++ b/NAMESPACE
@@ -16,9 +16,11 @@ export(FOCUS_PELMO_crop_sze_names)
 export(FOCUS_PELMO_crops)
 export(FOCUS_PELMO_location_codes)
 export(GUS)
+export(Koc_breaks)
 export(PEC_soil)
 export(PEC_sw_drainage_UK)
 export(PEC_sw_drift)
+export(PEC_sw_exposit_runoff)
 export(PEC_sw_focus)
 export(PEC_sw_sed)
 export(PELMO_path)
@@ -26,6 +28,7 @@ export(PELMO_runs)
 export(SFO_actual_twa)
 export(SSLRC_mobility_classification)
 export(TOXSWA_cwa)
+export(buffers)
 export(chent_focus_sw)
 export(endpoint)
 export(evaluate_PELMO)
diff --git a/R/PEC_sw_exposit_runoff.R b/R/PEC_sw_exposit_runoff.R
new file mode 100644
index 0000000..618b532
--- /dev/null
+++ b/R/PEC_sw_exposit_runoff.R
@@ -0,0 +1,119 @@
+#' Runoff loss percentages as used in Exposit 3
+#'
+#' A table of the loss percentages used in Exposit 3 for the twelve different Koc classes
+#'
+#' @name perc_runoff_exposit
+#' @format A data frame with percentage values for the dissolved fraction and the fraction
+#'   bound to eroding particles, with Koc classes used as row names
+#'   \describe{
+#'     \item{dissolved}{The percentage of the applied substance transferred to an
+#'       adjacent water body in the dissolved phase}
+#'     \item{bound}{The percentage of the applied substance transferred to an
+#'       adjacent water body bound to eroding particles}
+#'   }
+#' @source Excel 3.01 spreadsheet available from
+#'   \url{https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3}
+#' @export
+#' @examples
+#' print(perc_runoff_exposit)
+Koc_breaks <- c(0, 20, 50, 100, 200, 500, 1000, 2000, 5000, 10000, 20000, 50000, Inf)
+tmp <- paste(Koc_breaks[1:11], Koc_breaks[2:12], sep = "-")
+Koc_classes <- c(tmp[1], paste0(">", tmp[2:11]), ">50000")
+perc_runoff_exposit <- data.frame(
+  Koc_lower_bound = Koc_breaks[1:12],
+  dissolved = c(0.11, 0.151, 0.197, 0.248, 0.224, 0.184, 0.133, 0.084, 0.037, 0.031, 0.014, 0.001),
+  bound = c(0, 0, 0, 0.001, 0.004, 0.020, 0.042, 0.091, 0.159, 0.192, 0.291, 0.451))
+rownames(perc_runoff_exposit) <- Koc_classes
+
+#' Runoff reduction percentages as used in Exposit
+#'
+#' A table of the runoff reduction percentages used in Exposit 3 for different vegetated buffer widths
+#'
+#' @name perc_runoff_reduction_exposit
+#' @format A named list of data frames with reduction percentage values for the
+#' dissolved fraction and the fraction bound to eroding particles, with
+#' vegetated buffer widths as row names. The names of the list items are the Exposit versions
+#' from which the values were taken.
+#'   \describe{
+#'     \item{dissolved}{The reduction percentage for the dissolved phase}
+#'     \item{bound}{The reduction percentage for the particulate phase}
+#'   }
+#' @source Excel 3.01 spreadsheet available from
+#'   \url{https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3}
+#' @export
+#' @examples
+#' print(perc_runoff_reduction_exposit)
+buffers <- c("No buffer", paste(c(5, 10, 20), "m"))
+perc_runoff_reduction_exposit <- list(
+   "3.01" = data.frame(
+    dissolved = c(0, 40, 60, 80),
+    bound = c(0, 40, 85, 95),
+    row.names = buffers),
+  "2.0" = data.frame(
+    dissolved = c(0, 97.5),
+    bound = c(0, 97.5),
+    row.names = c("No buffer", "20 m"))
+)
+
+#' Calculate PEC surface water due to runoff and erosion as in Exposit 3
+#'
+#' This is a reimplementation of the calculation described in the Exposit 3.01 spreadsheet file,
+#' in the worksheet "Konzept Runoff". Calculation of sediment PEC values is not implemented.
+#'
+#' @param rate The application rate in g/ha
+#' @param Koc The sorption coefficient to soil organic carbon
+#' @param DT50 The soil half-life in days
+#' @param t_runoff The time between application and the runoff event, where degradation occurs, in days
+#' @param exposit_reduction_version The version of the reduction factors to be used
+#' @param V_ditch The volume of the ditch is assumed to be 1 m * 100 m * 30 cm = 30 m3
+#' @param V_event The unreduced runoff volume, equivalent to 10 mm precipitation on 1 ha
+#' @return A list containing the following components
+#'   \describe{
+#'     \item{Input}{A matrix containing dissolved and bound input for the different distances}
+#'     \item{PEC_sw_runoff}{A matrix containing PEC values for dissolved and bound substance
+#'       for the different distances. If the rate was given in g/ha, the PECsw are in microg/L.}
+#'   }
+#' @export
+#' @source Excel 3.01 spreadsheet available from
+#'   \url{https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3}
+#' @seealso \code{\link{perc_runoff_exposit}} for runoff loss percentages and \code{\link{perc_runoff_reduction_exposit}} for runoff reduction percentages used
+#' @examples
+#'   PEC_sw_exposit_runoff(500, 150)
+PEC_sw_exposit_runoff <- function(rate, Koc, DT50 = Inf, t_runoff = 3,
+  exposit_reduction_version = c("3.01", "2.0"),
+  V_ditch = 30, V_event = 100)
+{
+  k_deg <- log(2)/DT50
+  input <- rate * 1 * exp(-k_deg * t_runoff) # assumes 1 ha treated area
+
+  if (length(Koc) > 1) stop("Only one compound at a time supported")
+
+  exposit_reduction_version <- match.arg(exposit_reduction_version)
+  red_water <- perc_runoff_reduction_exposit[[exposit_reduction_version]]["dissolved"] / 100
+  red_bound <- perc_runoff_reduction_exposit[[exposit_reduction_version]]["bound"] / 100
+  reduction_runoff <- perc_runoff_reduction_exposit[[exposit_reduction_version]] / 100
+  transfer_runoff <- 1 - reduction_runoff
+
+  V_runoff <- V_event * (1 - reduction_runoff[["dissolved"]]) # m3
+  V_ditch_runoff <- V_ditch + V_runoff
+  V_flowing_ditch_runoff <- 2 * V_ditch_runoff
+  f_runoff_exposit <- function(Koc) {
+    Koc_breaks <- c(perc_runoff_exposit$Koc_lower_bound, Inf)
+    Koc_classes <- as.character(cut(Koc, Koc_breaks, labels = rownames(perc_runoff_exposit)))
+    perc_runoff <- perc_runoff_exposit[Koc_classes, c("dissolved", "bound")]
+    return(unlist(perc_runoff) / 100)
+  }
+  f_runoff <- f_runoff_exposit(Koc)
+  runoff_dissolved <- input * f_runoff["dissolved"] * transfer_runoff["dissolved"]
+  runoff_bound <- input * f_runoff["bound"] * transfer_runoff["bound"]
+  runoff_input <- cbind(runoff_dissolved, runoff_bound)
+  runoff_input$total <- runoff_input$dissolved + runoff_input$bound
+
+  PEC_sw_runoff <- 1000 * runoff_input / V_flowing_ditch_runoff
+
+  result <- list(Rate = rate,
+                 Koc = Koc,
+                 Input = runoff_input,
+                 PEC_sw_runoff = PEC_sw_runoff)
+  return(result)
+}
diff --git a/_pkgdown.yml b/_pkgdown.yml
index 6c8f632..87afa93 100644
--- a/_pkgdown.yml
+++ b/_pkgdown.yml
@@ -26,6 +26,7 @@ reference:
       - drift_data_JKI
       - PEC_sw_drainage_UK
       - PEC_sw_focus
+      - PEC_sw_exposit_runoff
       - TOXSWA_cwa
       - read.TOXSWA_cwa
       - plot.TOXSWA_cwa
diff --git a/docs/reference/PEC_sw_exposit_runoff.html b/docs/reference/PEC_sw_exposit_runoff.html
new file mode 100644
index 0000000..378c4e2
--- /dev/null
+++ b/docs/reference/PEC_sw_exposit_runoff.html
@@ -0,0 +1,187 @@
+<!-- Generated by pkgdown: do not edit by hand -->
+<!DOCTYPE html>
+<html>
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+  <meta charset="utf-8">
+<meta http-equiv="X-UA-Compatible" content="IE=edge">
+<meta name="viewport" content="width=device-width, initial-scale=1.0">
+
+<title>Calculate PEC surface water due to runoff and erosion as in Exposit 3 — PEC_sw_exposit_runoff • pfm</title>
+
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+  <div class="col-md-9 contents">
+    <div class="page-header">
+    <h1>Calculate PEC surface water due to runoff and erosion as in Exposit 3</h1>
+    </div>
+
+    
+    <p>This is a reimplementation of the calculation described in the Exposit 3.01 spreadsheet file,
+in the worksheet "Konzept Runoff". Calculation of sediment PEC values is not implemented.</p>
+    
+
+    <pre class="usage"><span class='fu'>PEC_sw_exposit_runoff</span>(<span class='no'>rate</span>, <span class='no'>Koc</span>, <span class='kw'>DT50</span> <span class='kw'>=</span> <span class='fl'>Inf</span>, <span class='kw'>t_runoff</span> <span class='kw'>=</span> <span class='fl'>3</span>,
+  <span class='kw'>exposit_reduction_version</span> <span class='kw'>=</span> <span class='fu'>c</span>(<span class='st'>"3.01"</span>, <span class='st'>"2.0"</span>), <span class='kw'>V_ditch</span> <span class='kw'>=</span> <span class='fl'>30</span>,
+  <span class='kw'>V_event</span> <span class='kw'>=</span> <span class='fl'>100</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>The application rate in g/ha</p></td>
+    </tr>
+    <tr>
+      <th>Koc</th>
+      <td><p>The sorption coefficient to soil organic carbon</p></td>
+    </tr>
+    <tr>
+      <th>DT50</th>
+      <td><p>The soil half-life in days</p></td>
+    </tr>
+    <tr>
+      <th>t_runoff</th>
+      <td><p>The time between application and the runoff event, where degradation occurs, in days</p></td>
+    </tr>
+    <tr>
+      <th>exposit_reduction_version</th>
+      <td><p>The version of the reduction factors to be used</p></td>
+    </tr>
+    <tr>
+      <th>V_ditch</th>
+      <td><p>The volume of the ditch is assumed to be 1 m * 100 m * 30 cm = 30 m3</p></td>
+    </tr>
+    <tr>
+      <th>V_event</th>
+      <td><p>The unreduced runoff volume, equivalent to 10 mm precipitation on 1 ha</p></td>
+    </tr>
+    </table>
+    
+    <h2 class="hasAnchor" id="source"><a class="anchor" href="#source"></a>Source</h2>
+
+    <p>Excel 3.01 spreadsheet available from
+  <a href = 'https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3'>https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3</a></p>
+    
+    <h2 class="hasAnchor" id="value"><a class="anchor" href="#value"></a>Value</h2>
+
+    <p>A list containing the following components</p><dl class='dl-horizontal'>
+    <dt>Input</dt><dd><p>A matrix containing dissolved and bound input for the different distances</p></dd>
+    <dt>PEC_sw_runoo</dt><dd><p>A matrix containing PEC values for dissolved and bound substance
+      for the different distances. If the rate was given in g/ha, the PECsw are in /L.</p></dd>
+  </dl>
+
+    
+    <h2 class="hasAnchor" id="see-also"><a class="anchor" href="#see-also"></a>See also</h2>
+
+    <p><code><a href='perc_runoff_exposit.html'>perc_runoff_exposit</a></code> for runoff loss percentages and <code><a href='perc_runoff_reduction_exposit.html'>perc_runoff_reduction_exposit</a></code> for runoff reduction percentages used</p>
+    
+
+    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
+    <pre class="examples"><div class='input'>  <span class='fu'>PEC_sw_exposit_runoff</span>(<span class='fl'>500</span>, <span class='fl'>150</span>)</div><div class='output co'>#&gt; $Rate
+#&gt; [1] 500
+#&gt; 
+#&gt; $Koc
+#&gt; [1] 150
+#&gt; 
+#&gt; $Input
+#&gt;           dissolved   bound   total
+#&gt; No buffer     1.240 0.00500 1.24500
+#&gt; 5 m           0.744 0.00300 0.74700
+#&gt; 10 m          0.496 0.00075 0.49675
+#&gt; 20 m          0.248 0.00025 0.24825
+#&gt; 
+#&gt; $PEC_sw_runoff
+#&gt;           dissolved       bound    total
+#&gt; No buffer  4.769231 0.019230769 4.788462
+#&gt; 5 m        4.133333 0.016666667 4.150000
+#&gt; 10 m       3.542857 0.005357143 3.548214
+#&gt; 20 m       2.480000 0.002500000 2.482500
+#&gt; </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="#source">Source</a></li>
+
+      <li><a href="#value">Value</a></li>
+
+      <li><a href="#see-also">See also</a></li>
+      
+      <li><a href="#examples">Examples</a></li>
+    </ul>
+
+  </div>
+</div>
+
+      <footer>
+      <div class="copyright">
+  <p>Developed by Johannes Ranke.</p>
+</div>
+
+<div class="pkgdown">
+  <p>Site built with <a href="http://hadley.github.io/pkgdown/">pkgdown</a>.</p>
+</div>
+
+      </footer>
+   </div>
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+</html>
diff --git a/docs/reference/PELMO_runs.html b/docs/reference/PELMO_runs.html
index b7dc4e6..9f6b7e8 100644
--- a/docs/reference/PELMO_runs.html
+++ b/docs/reference/PELMO_runs.html
@@ -190,7 +190,7 @@ the period.plm file generated by the FOCUS PELMO GUI.</p>
 #&gt; 
 #&gt; </div><div class='input'><span class='co'># We get exactly the same PECgw values (on Linux, calling PELMO using Wine).</span>
 <span class='fu'>print</span>(<span class='no'>time_1</span>)</div><div class='output co'>#&gt;        User      System verstrichen 
-#&gt;     218.820       0.896      56.243 </div><div class='input'>
+#&gt;     218.896       1.000      55.247 </div><div class='input'>
 <span class='co'># Demonstrate some results with metabolites.</span>
 <span class='no'>runs_2</span> <span class='kw'>&lt;-</span> <span class='fu'>list</span>(<span class='fu'>list</span>(<span class='kw'>psm</span> <span class='kw'>=</span> <span class='st'>'Pesticide_D_1_May_every_other_year_mets'</span>,
                     <span class='kw'>win</span> <span class='kw'>=</span> <span class='fu'>c</span>(<span class='st'>"Cha"</span>, <span class='st'>"Ham"</span>, <span class='st'>"Kre"</span>)))
diff --git a/docs/reference/buffers.html b/docs/reference/buffers.html
new file mode 100644
index 0000000..f04c3d0
--- /dev/null
+++ b/docs/reference/buffers.html
@@ -0,0 +1,137 @@
+<!-- Generated by pkgdown: do not edit by hand -->
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+<title>Runoff reduction percentages as used in Exposit — buffers • pfm</title>
+
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+
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+      <ul class="nav navbar-nav navbar-right">
+        
+      </ul>
+    </div><!--/.nav-collapse -->
+  </div><!--/.container -->
+</div><!--/.navbar -->
+
+      
+      </header>
+
+      <div class="row">
+  <div class="col-md-9 contents">
+    <div class="page-header">
+    <h1>Runoff reduction percentages as used in Exposit</h1>
+    </div>
+
+    
+    <p>A table of the runoff reduction percentages used in Exposit 3 for different vegetated buffer widths</p>
+    
+
+    <pre class="usage"><span class='no'>buffers</span></pre>
+        
+    <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2>
+
+    <p>A named list of data frames with reduction percentage values for the
+dissolved fraction and the fraction bound to eroding particles, with
+vegetated buffer widths as row names. The names of the list items are the Exposit versions
+from which the values were taken.</p><dl class='dl-horizontal'>
+    <dt>dissolved</dt><dd><p>The reduction percentage for the dissolved phase</p></dd>
+    <dt>bound</dt><dd><p>The reduction percentage for the particulate phase</p></dd>
+  </dl>
+    
+    <h2 class="hasAnchor" id="source"><a class="anchor" href="#source"></a>Source</h2>
+
+    <p>Excel 3.01 spreadsheet available from
+  <a href = 'https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3'>https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3</a></p>
+    
+
+    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
+    <pre class="examples"><div class='input'><span class='fu'>print</span>(<span class='no'>perc_runoff_reduction_exposit</span>)</div><div class='output co'>#&gt; $`3.01`
+#&gt;           dissolved bound
+#&gt; No buffer         0     0
+#&gt; 5 m              40    40
+#&gt; 10 m             60    85
+#&gt; 20 m             80    95
+#&gt; 
+#&gt; $`2.0`
+#&gt;   dissolved bound
+#&gt; 1       0.0   0.0
+#&gt; 2      97.5  97.5
+#&gt; </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="#format">Format</a></li>
+
+      <li><a href="#source">Source</a></li>
+      
+      <li><a href="#examples">Examples</a></li>
+    </ul>
+
+  </div>
+</div>
+
+      <footer>
+      <div class="copyright">
+  <p>Developed by Johannes Ranke.</p>
+</div>
+
+<div class="pkgdown">
+  <p>Site built with <a href="http://hadley.github.io/pkgdown/">pkgdown</a>.</p>
+</div>
+
+      </footer>
+   </div>
+
+  </body>
+</html>
diff --git a/docs/reference/index.html b/docs/reference/index.html
index 0fbae40..47f495a 100644
--- a/docs/reference/index.html
+++ b/docs/reference/index.html
@@ -195,6 +195,12 @@ published by the JKI</p></td>
         </tr><tr>
           <!--  -->
           <td>
+            <p><code><a href="PEC_sw_exposit_runoff.html">PEC_sw_exposit_runoff</a></code> </p>
+          </td>
+          <td><p>Calculate PEC surface water due to runoff and erosion as in Exposit 3</p></td>
+        </tr><tr>
+          <!--  -->
+          <td>
             <p><code><a href="TOXSWA_cwa.html">TOXSWA_cwa</a></code> </p>
           </td>
           <td><p>R6 class for holding TOXSWA cwa concentration data and associated statistics</p></td>
diff --git a/docs/reference/perc_runoff_exposit.html b/docs/reference/perc_runoff_exposit.html
new file mode 100644
index 0000000..1f570ce
--- /dev/null
+++ b/docs/reference/perc_runoff_exposit.html
@@ -0,0 +1,138 @@
+<!-- Generated by pkgdown: do not edit by hand -->
+<!DOCTYPE html>
+<html>
+  <head>
+  <meta charset="utf-8">
+<meta http-equiv="X-UA-Compatible" content="IE=edge">
+<meta name="viewport" content="width=device-width, initial-scale=1.0">
+
+<title>Runoff loss percentages as used in Exposit 3 — perc_runoff_exposit • pfm</title>
+
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+<script src="https://code.jquery.com/jquery-3.1.0.min.js" integrity="sha384-nrOSfDHtoPMzJHjVTdCopGqIqeYETSXhZDFyniQ8ZHcVy08QesyHcnOUpMpqnmWq" crossorigin="anonymous"></script>
+<!-- Bootstrap -->
+
+<link href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" rel="stylesheet" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous">
+<script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha384-Tc5IQib027qvyjSMfHjOMaLkfuWVxZxUPnCJA7l2mCWNIpG9mGCD8wGNIcPD7Txa" crossorigin="anonymous"></script>
+
+<!-- Font Awesome icons -->
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+
+
+<!-- pkgdown -->
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+<script src="https://oss.maxcdn.com/respond/1.4.2/respond.min.js"></script>
+<![endif]-->
+
+
+  </head>
+
+  <body>
+    <div class="container template-reference-topic">
+      <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">
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+        <span class="icon-bar"></span>
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+      <a class="navbar-brand" href="../index.html">pfm</a>
+    </div>
+    <div id="navbar" class="navbar-collapse collapse">
+      <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 -->
+  </div><!--/.container -->
+</div><!--/.navbar -->
+
+      
+      </header>
+
+      <div class="row">
+  <div class="col-md-9 contents">
+    <div class="page-header">
+    <h1>Runoff loss percentages as used in Exposit 3</h1>
+    </div>
+
+    
+    <p>A table of the loss percentages used in Exposit 3 for the twelve different Koc classes</p>
+    
+
+    <pre class="usage"><span class='no'>Koc_breaks</span></pre>
+        
+    <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2>
+
+    <p>A data frame with percentage values for the dissolved fraction and the fraction
+  bound to eroding particles, with Koc classes used as row names</p><dl class='dl-horizontal'>
+    <dt>dissolved</dt><dd><p>The percentage of the applied substance transferred to an
+      adjacent water body in the dissolved phase</p></dd>
+    <dt>bound</dt><dd><p>The percentage of the applied substance transferred to an
+      adjacent water body bound to eroding particles</p></dd>
+  </dl>
+    
+    <h2 class="hasAnchor" id="source"><a class="anchor" href="#source"></a>Source</h2>
+
+    <p>Excel 3.01 spreadsheet available from
+  <a href = 'https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3'>https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3</a></p>
+    
+
+    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
+    <pre class="examples"><div class='input'><span class='fu'>print</span>(<span class='no'>perc_runoff_exposit</span>)</div><div class='output co'>#&gt;              Koc_lower_bound dissolved bound
+#&gt; 0-20                       0     0.110 0.000
+#&gt; &gt;20-50                    20     0.151 0.000
+#&gt; &gt;50-100                   50     0.197 0.000
+#&gt; &gt;100-200                 100     0.248 0.001
+#&gt; &gt;200-500                 200     0.224 0.004
+#&gt; &gt;500-1000                500     0.184 0.020
+#&gt; &gt;1000-2000              1000     0.133 0.042
+#&gt; &gt;2000-5000              2000     0.084 0.091
+#&gt; &gt;5000-10000             5000     0.037 0.159
+#&gt; &gt;10000-20000           10000     0.031 0.192
+#&gt; &gt;20000-50000           20000     0.014 0.291
+#&gt; &gt;50000                 50000     0.001 0.451</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="#format">Format</a></li>
+
+      <li><a href="#source">Source</a></li>
+      
+      <li><a href="#examples">Examples</a></li>
+    </ul>
+
+  </div>
+</div>
+
+      <footer>
+      <div class="copyright">
+  <p>Developed by Johannes Ranke.</p>
+</div>
+
+<div class="pkgdown">
+  <p>Site built with <a href="http://hadley.github.io/pkgdown/">pkgdown</a>.</p>
+</div>
+
+      </footer>
+   </div>
+
+  </body>
+</html>
diff --git a/docs/reference/perc_runoff_reduction_exposit.html b/docs/reference/perc_runoff_reduction_exposit.html
new file mode 100644
index 0000000..d951a9e
--- /dev/null
+++ b/docs/reference/perc_runoff_reduction_exposit.html
@@ -0,0 +1,137 @@
+<!-- Generated by pkgdown: do not edit by hand -->
+<!DOCTYPE html>
+<html>
+  <head>
+  <meta charset="utf-8">
+<meta http-equiv="X-UA-Compatible" content="IE=edge">
+<meta name="viewport" content="width=device-width, initial-scale=1.0">
+
+<title>Runoff reduction percentages as used in Exposit — perc_runoff_reduction_exposit • pfm</title>
+
+<!-- jquery -->
+<script src="https://code.jquery.com/jquery-3.1.0.min.js" integrity="sha384-nrOSfDHtoPMzJHjVTdCopGqIqeYETSXhZDFyniQ8ZHcVy08QesyHcnOUpMpqnmWq" crossorigin="anonymous"></script>
+<!-- Bootstrap -->
+
+<link href="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/css/bootstrap.min.css" rel="stylesheet" integrity="sha384-BVYiiSIFeK1dGmJRAkycuHAHRg32OmUcww7on3RYdg4Va+PmSTsz/K68vbdEjh4u" crossorigin="anonymous">
+<script src="https://maxcdn.bootstrapcdn.com/bootstrap/3.3.7/js/bootstrap.min.js" integrity="sha384-Tc5IQib027qvyjSMfHjOMaLkfuWVxZxUPnCJA7l2mCWNIpG9mGCD8wGNIcPD7Txa" crossorigin="anonymous"></script>
+
+<!-- Font Awesome icons -->
+<link href="https://maxcdn.bootstrapcdn.com/font-awesome/4.6.3/css/font-awesome.min.css" rel="stylesheet" integrity="sha384-T8Gy5hrqNKT+hzMclPo118YTQO6cYprQmhrYwIiQ/3axmI1hQomh7Ud2hPOy8SP1" crossorigin="anonymous">
+
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+<link href="../pkgdown.css" rel="stylesheet">
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+
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+<script src="https://oss.maxcdn.com/respond/1.4.2/respond.min.js"></script>
+<![endif]-->
+
+
+  </head>
+
+  <body>
+    <div class="container template-reference-topic">
+      <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">
+        <span class="icon-bar"></span>
+        <span class="icon-bar"></span>
+        <span class="icon-bar"></span>
+      </button>
+      <a class="navbar-brand" href="../index.html">pfm</a>
+    </div>
+    <div id="navbar" class="navbar-collapse collapse">
+      <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 -->
+  </div><!--/.container -->
+</div><!--/.navbar -->
+
+      
+      </header>
+
+      <div class="row">
+  <div class="col-md-9 contents">
+    <div class="page-header">
+    <h1>Runoff reduction percentages as used in Exposit</h1>
+    </div>
+
+    
+    <p>A table of the runoff reduction percentages used in Exposit 3 for different vegetated buffer widths</p>
+    
+
+    <pre class="usage"><span class='no'>buffers</span></pre>
+        
+    <h2 class="hasAnchor" id="format"><a class="anchor" href="#format"></a>Format</h2>
+
+    <p>A named list of data frames with reduction percentage values for the
+dissolved fraction and the fraction bound to eroding particles, with
+vegetated buffer widths as row names. The names of the list items are the Exposit versions
+from which the values were taken.</p><dl class='dl-horizontal'>
+    <dt>dissolved</dt><dd><p>The reduction percentage for the dissolved phase</p></dd>
+    <dt>bound</dt><dd><p>The reduction percentage for the particulate phase</p></dd>
+  </dl>
+    
+    <h2 class="hasAnchor" id="source"><a class="anchor" href="#source"></a>Source</h2>
+
+    <p>Excel 3.01 spreadsheet available from
+  <a href = 'https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3'>https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3</a></p>
+    
+
+    <h2 class="hasAnchor" id="examples"><a class="anchor" href="#examples"></a>Examples</h2>
+    <pre class="examples"><div class='input'><span class='fu'>print</span>(<span class='no'>perc_runoff_reduction_exposit</span>)</div><div class='output co'>#&gt; $`3.01`
+#&gt;           dissolved bound
+#&gt; No buffer         0     0
+#&gt; 5 m              40    40
+#&gt; 10 m             60    85
+#&gt; 20 m             80    95
+#&gt; 
+#&gt; $`2.0`
+#&gt;   dissolved bound
+#&gt; 1       0.0   0.0
+#&gt; 2      97.5  97.5
+#&gt; </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="#format">Format</a></li>
+
+      <li><a href="#source">Source</a></li>
+      
+      <li><a href="#examples">Examples</a></li>
+    </ul>
+
+  </div>
+</div>
+
+      <footer>
+      <div class="copyright">
+  <p>Developed by Johannes Ranke.</p>
+</div>
+
+<div class="pkgdown">
+  <p>Site built with <a href="http://hadley.github.io/pkgdown/">pkgdown</a>.</p>
+</div>
+
+      </footer>
+   </div>
+
+  </body>
+</html>
diff --git a/docs/reference/pesticide.txt b/docs/reference/pesticide.txt
index e0dddbf..62a2df9 100644
--- a/docs/reference/pesticide.txt
+++ b/docs/reference/pesticide.txt
@@ -3,3 +3,11 @@ Dummy 1 cereals, spring n NA	Dummy 1 cereals, winter s of	Dummy 1 citrus n mm	Du
 M1 cereals, winter n NA	M1 cereals, winter s of	M1 cereals, winter n mm	M1 cereals, winter s js	M1 cereals, winter n NA	M1 cereals, winter s of	M1 cereals, winter n mm	M1 cereals, winter s js		  250.00	  100.00	  100.00	   50.00	  100.00	  100.00	0.00E+00	   50.00	 1000.00	    1.00	0.00E+00	    1.00	  -99.00	  -99.00	  -99.00	  -99.00	0.00E+00	    1.00
 Dummy 1 cereals, spring n NA	Dummy 1 cereals, winter s of	Dummy 1 citrus n mm	Dummy 1 cotton s js	Dummy 1 field beans n NA	Dummy 1 grass / alfalfa s of	Dummy 1 hops n mm	Dummy 1 legumes s js	Dummy 1 maize n NA	Dummy 1 oil seed rape, spring s of	Dummy 1 oil seed rape, winter n mm	Dummy 1 olives s js	Dummy 1 pome / stone fruit, early applns n NA	Dummy 1 pome / stone fruit, late applns s of	Dummy 1 potatoes n mm	Dummy 1 soybeans s js	Dummy 1 sugar beets n NA	Dummy 1 sunflowers s of	Dummy 1 tobacco n mm	Dummy 1 vegetables, bulb s js	Dummy 1 vegetables, fruiting n NA	Dummy 1 vegetables, leafy s of	Dummy 1 vegetables, root n mm	Dummy 1 vines, early applns s js	Dummy 1 vines, late applns n NA	Dummy 1 appln, aerial s of	Dummy 1 appln, hand (crop < 50 cm) n mm	Dummy 1 appln, hand (crop > 50 cm) s js	Dummy 1 no drift (incorp or seed trtmt) n NA	Dummy 1 cereals, spring n NA	Dummy 1 cereals, winter s of	Dummy 1 citrus n mm	Dummy 1 cotton s js	Dummy 1 field beans n NA	Dummy 1 grass / alfalfa s of	Dummy 1 hops n mm	Dummy 1 legumes s js	Dummy 1 maize n NA	Dummy 1 oil seed rape, spring s of	Dummy 1 oil seed rape, winter n mm	Dummy 1 olives s js	Dummy 1 pome / stone fruit, early applns n NA	Dummy 1 pome / stone fruit, late applns s of	Dummy 1 potatoes n mm	Dummy 1 soybeans s js	Dummy 1 sugar beets n NA	Dummy 1 sunflowers s of	Dummy 1 tobacco n mm	Dummy 1 vegetables, bulb s js	Dummy 1 vegetables, fruiting n NA	Dummy 1 vegetables, leafy s of	Dummy 1 vegetables, root n mm	Dummy 1 vines, early applns s js	Dummy 1 vines, late applns n NA	Dummy 1 appln, aerial s of	Dummy 1 appln, hand (crop < 50 cm) n mm	Dummy 1 appln, hand (crop > 50 cm) s js	Dummy 1 no drift (incorp or seed trtmt) n NA		  -99.00	  -99.00	 6000.00	  344.80	0.00E+00	    6.00	0.00E+00	0.00E+00	 3000.00	    1.00	0.00E+00	0.00E+00	    1.00	    2.00	    3.00	    4.00	    5.00	    6.00	    7.00	    8.00	    9.00	   10.00	   11.00	   12.00	   13.00	   14.00	   15.00	   16.00	   17.00	   18.00	   19.00	   20.00	   21.00	   22.00	   23.00	   24.00	   25.00	   26.00	   27.00	   28.00	0.00E+00	  -99.00	  -99.00	  -99.00	0.00E+00	    1.00
 M1 cereals, winter n NA	M1 cereals, winter s of	M1 cereals, winter n mm	M1 cereals, winter s js	M1 cereals, winter n NA	M1 cereals, winter s of	M1 cereals, winter n mm	M1 cereals, winter s js		  250.00	  100.00	  100.00	   50.00	  100.00	  100.00	0.00E+00	   50.00	 1000.00	    1.00	0.00E+00	    1.00	  -99.00	  -99.00	  -99.00	  -99.00	0.00E+00	    1.00
+Dummy 1 cereals, spring n NA	Dummy 1 cereals, winter s of	Dummy 1 citrus n mm	Dummy 1 cotton s js	Dummy 1 field beans n NA	Dummy 1 grass / alfalfa s of	Dummy 1 hops n mm	Dummy 1 legumes s js	Dummy 1 maize n NA	Dummy 1 oil seed rape, spring s of	Dummy 1 oil seed rape, winter n mm	Dummy 1 olives s js	Dummy 1 pome / stone fruit, early applns n NA	Dummy 1 pome / stone fruit, late applns s of	Dummy 1 potatoes n mm	Dummy 1 soybeans s js	Dummy 1 sugar beets n NA	Dummy 1 sunflowers s of	Dummy 1 tobacco n mm	Dummy 1 vegetables, bulb s js	Dummy 1 vegetables, fruiting n NA	Dummy 1 vegetables, leafy s of	Dummy 1 vegetables, root n mm	Dummy 1 vines, early applns s js	Dummy 1 vines, late applns n NA	Dummy 1 appln, aerial s of	Dummy 1 appln, hand (crop < 50 cm) n mm	Dummy 1 appln, hand (crop > 50 cm) s js	Dummy 1 no drift (incorp or seed trtmt) n NA	Dummy 1 cereals, spring n NA	Dummy 1 cereals, winter s of	Dummy 1 citrus n mm	Dummy 1 cotton s js	Dummy 1 field beans n NA	Dummy 1 grass / alfalfa s of	Dummy 1 hops n mm	Dummy 1 legumes s js	Dummy 1 maize n NA	Dummy 1 oil seed rape, spring s of	Dummy 1 oil seed rape, winter n mm	Dummy 1 olives s js	Dummy 1 pome / stone fruit, early applns n NA	Dummy 1 pome / stone fruit, late applns s of	Dummy 1 potatoes n mm	Dummy 1 soybeans s js	Dummy 1 sugar beets n NA	Dummy 1 sunflowers s of	Dummy 1 tobacco n mm	Dummy 1 vegetables, bulb s js	Dummy 1 vegetables, fruiting n NA	Dummy 1 vegetables, leafy s of	Dummy 1 vegetables, root n mm	Dummy 1 vines, early applns s js	Dummy 1 vines, late applns n NA	Dummy 1 appln, aerial s of	Dummy 1 appln, hand (crop < 50 cm) n mm	Dummy 1 appln, hand (crop > 50 cm) s js	Dummy 1 no drift (incorp or seed trtmt) n NA		  -99.00	  -99.00	 6000.00	  344.80	0.00E+00	    6.00	0.00E+00	0.00E+00	 3000.00	    1.00	0.00E+00	0.00E+00	    1.00	    2.00	    3.00	    4.00	    5.00	    6.00	    7.00	    8.00	    9.00	   10.00	   11.00	   12.00	   13.00	   14.00	   15.00	   16.00	   17.00	   18.00	   19.00	   20.00	   21.00	   22.00	   23.00	   24.00	   25.00	   26.00	   27.00	   28.00	0.00E+00	  -99.00	  -99.00	  -99.00	0.00E+00	    1.00
+M1 cereals, winter n NA	M1 cereals, winter s of	M1 cereals, winter n mm	M1 cereals, winter s js	M1 cereals, winter n NA	M1 cereals, winter s of	M1 cereals, winter n mm	M1 cereals, winter s js		  250.00	  100.00	  100.00	   50.00	  100.00	  100.00	0.00E+00	   50.00	 1000.00	    1.00	0.00E+00	    1.00	  -99.00	  -99.00	  -99.00	  -99.00	0.00E+00	    1.00
+Dummy 1 cereals, spring n NA	Dummy 1 cereals, winter s of	Dummy 1 citrus n mm	Dummy 1 cotton s js	Dummy 1 field beans n NA	Dummy 1 grass / alfalfa s of	Dummy 1 hops n mm	Dummy 1 legumes s js	Dummy 1 maize n NA	Dummy 1 oil seed rape, spring s of	Dummy 1 oil seed rape, winter n mm	Dummy 1 olives s js	Dummy 1 pome / stone fruit, early applns n NA	Dummy 1 pome / stone fruit, late applns s of	Dummy 1 potatoes n mm	Dummy 1 soybeans s js	Dummy 1 sugar beets n NA	Dummy 1 sunflowers s of	Dummy 1 tobacco n mm	Dummy 1 vegetables, bulb s js	Dummy 1 vegetables, fruiting n NA	Dummy 1 vegetables, leafy s of	Dummy 1 vegetables, root n mm	Dummy 1 vines, early applns s js	Dummy 1 vines, late applns n NA	Dummy 1 appln, aerial s of	Dummy 1 appln, hand (crop < 50 cm) n mm	Dummy 1 appln, hand (crop > 50 cm) s js	Dummy 1 no drift (incorp or seed trtmt) n NA	Dummy 1 cereals, spring n NA	Dummy 1 cereals, winter s of	Dummy 1 citrus n mm	Dummy 1 cotton s js	Dummy 1 field beans n NA	Dummy 1 grass / alfalfa s of	Dummy 1 hops n mm	Dummy 1 legumes s js	Dummy 1 maize n NA	Dummy 1 oil seed rape, spring s of	Dummy 1 oil seed rape, winter n mm	Dummy 1 olives s js	Dummy 1 pome / stone fruit, early applns n NA	Dummy 1 pome / stone fruit, late applns s of	Dummy 1 potatoes n mm	Dummy 1 soybeans s js	Dummy 1 sugar beets n NA	Dummy 1 sunflowers s of	Dummy 1 tobacco n mm	Dummy 1 vegetables, bulb s js	Dummy 1 vegetables, fruiting n NA	Dummy 1 vegetables, leafy s of	Dummy 1 vegetables, root n mm	Dummy 1 vines, early applns s js	Dummy 1 vines, late applns n NA	Dummy 1 appln, aerial s of	Dummy 1 appln, hand (crop < 50 cm) n mm	Dummy 1 appln, hand (crop > 50 cm) s js	Dummy 1 no drift (incorp or seed trtmt) n NA		  -99.00	  -99.00	 6000.00	  344.80	0.00E+00	    6.00	0.00E+00	0.00E+00	 3000.00	    1.00	0.00E+00	0.00E+00	    1.00	    2.00	    3.00	    4.00	    5.00	    6.00	    7.00	    8.00	    9.00	   10.00	   11.00	   12.00	   13.00	   14.00	   15.00	   16.00	   17.00	   18.00	   19.00	   20.00	   21.00	   22.00	   23.00	   24.00	   25.00	   26.00	   27.00	   28.00	0.00E+00	  -99.00	  -99.00	  -99.00	0.00E+00	    1.00
+M1 cereals, winter n NA	M1 cereals, winter s of	M1 cereals, winter n mm	M1 cereals, winter s js	M1 cereals, winter n NA	M1 cereals, winter s of	M1 cereals, winter n mm	M1 cereals, winter s js		  250.00	  100.00	  100.00	   50.00	  100.00	  100.00	0.00E+00	   50.00	 1000.00	    1.00	0.00E+00	    1.00	  -99.00	  -99.00	  -99.00	  -99.00	0.00E+00	    1.00
+Dummy 1 cereals, spring n NA	Dummy 1 cereals, winter s of	Dummy 1 citrus n mm	Dummy 1 cotton s js	Dummy 1 field beans n NA	Dummy 1 grass / alfalfa s of	Dummy 1 hops n mm	Dummy 1 legumes s js	Dummy 1 maize n NA	Dummy 1 oil seed rape, spring s of	Dummy 1 oil seed rape, winter n mm	Dummy 1 olives s js	Dummy 1 pome / stone fruit, early applns n NA	Dummy 1 pome / stone fruit, late applns s of	Dummy 1 potatoes n mm	Dummy 1 soybeans s js	Dummy 1 sugar beets n NA	Dummy 1 sunflowers s of	Dummy 1 tobacco n mm	Dummy 1 vegetables, bulb s js	Dummy 1 vegetables, fruiting n NA	Dummy 1 vegetables, leafy s of	Dummy 1 vegetables, root n mm	Dummy 1 vines, early applns s js	Dummy 1 vines, late applns n NA	Dummy 1 appln, aerial s of	Dummy 1 appln, hand (crop < 50 cm) n mm	Dummy 1 appln, hand (crop > 50 cm) s js	Dummy 1 no drift (incorp or seed trtmt) n NA	Dummy 1 cereals, spring n NA	Dummy 1 cereals, winter s of	Dummy 1 citrus n mm	Dummy 1 cotton s js	Dummy 1 field beans n NA	Dummy 1 grass / alfalfa s of	Dummy 1 hops n mm	Dummy 1 legumes s js	Dummy 1 maize n NA	Dummy 1 oil seed rape, spring s of	Dummy 1 oil seed rape, winter n mm	Dummy 1 olives s js	Dummy 1 pome / stone fruit, early applns n NA	Dummy 1 pome / stone fruit, late applns s of	Dummy 1 potatoes n mm	Dummy 1 soybeans s js	Dummy 1 sugar beets n NA	Dummy 1 sunflowers s of	Dummy 1 tobacco n mm	Dummy 1 vegetables, bulb s js	Dummy 1 vegetables, fruiting n NA	Dummy 1 vegetables, leafy s of	Dummy 1 vegetables, root n mm	Dummy 1 vines, early applns s js	Dummy 1 vines, late applns n NA	Dummy 1 appln, aerial s of	Dummy 1 appln, hand (crop < 50 cm) n mm	Dummy 1 appln, hand (crop > 50 cm) s js	Dummy 1 no drift (incorp or seed trtmt) n NA		  -99.00	  -99.00	 6000.00	  344.80	0.00E+00	    6.00	0.00E+00	0.00E+00	 3000.00	    1.00	0.00E+00	0.00E+00	    1.00	    2.00	    3.00	    4.00	    5.00	    6.00	    7.00	    8.00	    9.00	   10.00	   11.00	   12.00	   13.00	   14.00	   15.00	   16.00	   17.00	   18.00	   19.00	   20.00	   21.00	   22.00	   23.00	   24.00	   25.00	   26.00	   27.00	   28.00	0.00E+00	  -99.00	  -99.00	  -99.00	0.00E+00	    1.00
+M1 cereals, winter n NA	M1 cereals, winter s of	M1 cereals, winter n mm	M1 cereals, winter s js	M1 cereals, winter n NA	M1 cereals, winter s of	M1 cereals, winter n mm	M1 cereals, winter s js		  250.00	  100.00	  100.00	   50.00	  100.00	  100.00	0.00E+00	   50.00	 1000.00	    1.00	0.00E+00	    1.00	  -99.00	  -99.00	  -99.00	  -99.00	0.00E+00	    1.00
+Dummy 1 cereals, spring n NA	Dummy 1 cereals, winter s of	Dummy 1 citrus n mm	Dummy 1 cotton s js	Dummy 1 field beans n NA	Dummy 1 grass / alfalfa s of	Dummy 1 hops n mm	Dummy 1 legumes s js	Dummy 1 maize n NA	Dummy 1 oil seed rape, spring s of	Dummy 1 oil seed rape, winter n mm	Dummy 1 olives s js	Dummy 1 pome / stone fruit, early applns n NA	Dummy 1 pome / stone fruit, late applns s of	Dummy 1 potatoes n mm	Dummy 1 soybeans s js	Dummy 1 sugar beets n NA	Dummy 1 sunflowers s of	Dummy 1 tobacco n mm	Dummy 1 vegetables, bulb s js	Dummy 1 vegetables, fruiting n NA	Dummy 1 vegetables, leafy s of	Dummy 1 vegetables, root n mm	Dummy 1 vines, early applns s js	Dummy 1 vines, late applns n NA	Dummy 1 appln, aerial s of	Dummy 1 appln, hand (crop < 50 cm) n mm	Dummy 1 appln, hand (crop > 50 cm) s js	Dummy 1 no drift (incorp or seed trtmt) n NA	Dummy 1 cereals, spring n NA	Dummy 1 cereals, winter s of	Dummy 1 citrus n mm	Dummy 1 cotton s js	Dummy 1 field beans n NA	Dummy 1 grass / alfalfa s of	Dummy 1 hops n mm	Dummy 1 legumes s js	Dummy 1 maize n NA	Dummy 1 oil seed rape, spring s of	Dummy 1 oil seed rape, winter n mm	Dummy 1 olives s js	Dummy 1 pome / stone fruit, early applns n NA	Dummy 1 pome / stone fruit, late applns s of	Dummy 1 potatoes n mm	Dummy 1 soybeans s js	Dummy 1 sugar beets n NA	Dummy 1 sunflowers s of	Dummy 1 tobacco n mm	Dummy 1 vegetables, bulb s js	Dummy 1 vegetables, fruiting n NA	Dummy 1 vegetables, leafy s of	Dummy 1 vegetables, root n mm	Dummy 1 vines, early applns s js	Dummy 1 vines, late applns n NA	Dummy 1 appln, aerial s of	Dummy 1 appln, hand (crop < 50 cm) n mm	Dummy 1 appln, hand (crop > 50 cm) s js	Dummy 1 no drift (incorp or seed trtmt) n NA		  -99.00	  -99.00	 6000.00	  344.80	0.00E+00	    6.00	0.00E+00	0.00E+00	 3000.00	    1.00	0.00E+00	0.00E+00	    1.00	    2.00	    3.00	    4.00	    5.00	    6.00	    7.00	    8.00	    9.00	   10.00	   11.00	   12.00	   13.00	   14.00	   15.00	   16.00	   17.00	   18.00	   19.00	   20.00	   21.00	   22.00	   23.00	   24.00	   25.00	   26.00	   27.00	   28.00	0.00E+00	  -99.00	  -99.00	  -99.00	0.00E+00	    1.00
+M1 cereals, winter n NA	M1 cereals, winter s of	M1 cereals, winter n mm	M1 cereals, winter s js	M1 cereals, winter n NA	M1 cereals, winter s of	M1 cereals, winter n mm	M1 cereals, winter s js		  250.00	  100.00	  100.00	   50.00	  100.00	  100.00	0.00E+00	   50.00	 1000.00	    1.00	0.00E+00	    1.00	  -99.00	  -99.00	  -99.00	  -99.00	0.00E+00	    1.00
diff --git a/man/PEC_sw_exposit_runoff.Rd b/man/PEC_sw_exposit_runoff.Rd
new file mode 100644
index 0000000..7ed18b6
--- /dev/null
+++ b/man/PEC_sw_exposit_runoff.Rd
@@ -0,0 +1,47 @@
+% Generated by roxygen2: do not edit by hand
+% Please edit documentation in R/PEC_sw_exposit_runoff.R
+\name{PEC_sw_exposit_runoff}
+\alias{PEC_sw_exposit_runoff}
+\title{Calculate PEC surface water due to runoff and erosion as in Exposit 3}
+\source{
+Excel 3.01 spreadsheet available from
+  \url{https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3}
+}
+\usage{
+PEC_sw_exposit_runoff(rate, Koc, DT50 = Inf, t_runoff = 3,
+  exposit_reduction_version = c("3.01", "2.0"), V_ditch = 30,
+  V_event = 100)
+}
+\arguments{
+\item{rate}{The application rate in g/ha}
+
+\item{Koc}{The sorption coefficient to soil organic carbon}
+
+\item{DT50}{The soil half-life in days}
+
+\item{t_runoff}{The time between application and the runoff event, where degradation occurs, in days}
+
+\item{exposit_reduction_version}{The version of the reduction factors to be used}
+
+\item{V_ditch}{The volume of the ditch is assumed to be 1 m * 100 m * 30 cm = 30 m3}
+
+\item{V_event}{The unreduced runoff volume, equivalent to 10 mm precipitation on 1 ha}
+}
+\value{
+A list containing the following components
+  \describe{
+    \item{Input}{A matrix containing dissolved and bound input for the different distances}
+    \item{PEC_sw_runoff}{A matrix containing PEC values for dissolved and bound substance
+      for the different distances. If the rate was given in g/ha, the PECsw are in microg/L.}
+  }
+}
+\description{
+This is a reimplementation of the calculation described in the Exposit 3.01 spreadsheet file,
+in the worksheet "Konzept Runoff". Calculation of sediment PEC values is not implemented.
+}
+\examples{
+  PEC_sw_exposit_runoff(500, 150)
+}
+\seealso{
+\code{\link{perc_runoff_exposit}} for runoff loss percentages and \code{\link{perc_runoff_reduction_exposit}} for runoff reduction percentages used
+}
diff --git a/man/perc_runoff_exposit.Rd b/man/perc_runoff_exposit.Rd
new file mode 100644
index 0000000..70f80c5
--- /dev/null
+++ b/man/perc_runoff_exposit.Rd
@@ -0,0 +1,29 @@
+% Generated by roxygen2: do not edit by hand
+% Please edit documentation in R/PEC_sw_exposit_runoff.R
+\docType{data}
+\name{perc_runoff_exposit}
+\alias{perc_runoff_exposit}
+\alias{Koc_breaks}
+\title{Runoff loss percentages as used in Exposit 3}
+\format{A data frame with percentage values for the dissolved fraction and the fraction
+  bound to eroding particles, with Koc classes used as row names
+  \describe{
+    \item{dissolved}{The percentage of the applied substance transferred to an
+      adjacent water body in the dissolved phase}
+    \item{bound}{The percentage of the applied substance transferred to an
+      adjacent water body bound to eroding particles}
+  }}
+\source{
+Excel 3.01 spreadsheet available from
+  \url{https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3}
+}
+\usage{
+Koc_breaks
+}
+\description{
+A table of the loss percentages used in Exposit 3 for the twelve different Koc classes
+}
+\examples{
+print(perc_runoff_exposit)
+}
+\keyword{datasets}
diff --git a/man/perc_runoff_reduction_exposit.Rd b/man/perc_runoff_reduction_exposit.Rd
new file mode 100644
index 0000000..51b067d
--- /dev/null
+++ b/man/perc_runoff_reduction_exposit.Rd
@@ -0,0 +1,29 @@
+% Generated by roxygen2: do not edit by hand
+% Please edit documentation in R/PEC_sw_exposit_runoff.R
+\docType{data}
+\name{perc_runoff_reduction_exposit}
+\alias{perc_runoff_reduction_exposit}
+\alias{buffers}
+\title{Runoff reduction percentages as used in Exposit}
+\format{A named list of data frames with reduction percentage values for the
+dissolved fraction and the fraction bound to eroding particles, with
+vegetated buffer widths as row names. The names of the list items are the Exposit versions
+from which the values were taken.
+  \describe{
+    \item{dissolved}{The reduction percentage for the dissolved phase}
+    \item{bound}{The reduction percentage for the particulate phase}
+  }}
+\source{
+Excel 3.01 spreadsheet available from
+  \url{https://www.bvl.bund.de/DE/04_Pflanzenschutzmittel/03_Antragsteller/04_Zulassungsverfahren/07_Naturhaushalt/psm_naturhaush_node.html#doc1400590bodyText3}
+}
+\usage{
+buffers
+}
+\description{
+A table of the runoff reduction percentages used in Exposit 3 for different vegetated buffer widths
+}
+\examples{
+print(perc_runoff_reduction_exposit)
+}
+\keyword{datasets}
diff --git a/test.log b/test.log
index 86aeebe..2692d54 100644
--- a/test.log
+++ b/test.log
@@ -8,6 +8,7 @@ Loading required package: inline
 Loading required package: methods
 Loading required package: parallel
 Testing pfm
+Exposit runoff calculations: ...
 Geometric mean calculation: ......
 Check max_twa for parent mkinfit models against analytical solutions: .
 Simple PEC sediment calculations: .
diff --git a/tests/testthat/test_exposit.R b/tests/testthat/test_exposit.R
new file mode 100644
index 0000000..667b4ee
--- /dev/null
+++ b/tests/testthat/test_exposit.R
@@ -0,0 +1,25 @@
+library(pfm)
+context("Exposit runoff calculations")
+
+test_that("Runoff PECsw are as in Exposit 3.01", {
+  # Expected results are from the Exposit 3.01, downloaded 2017-10-27
+
+  # 100 g/ha, Koc = 1000 L/kg, DT50 = 1000 days
+  PEC_spreadsheet_1 <- data.frame(dissolved = c(0.706, 0.612, 0.525, 0.367),
+                                  total = c(0.783, 0.679, 0.546, 0.377))
+
+  PEC_pfm_1 <- round(PEC_sw_exposit_runoff(100, Koc = 1000, DT50 = 1000)$PEC_sw_runoff, 3)[c("dissolved", "total")]
+  expect_equivalent(PEC_spreadsheet_1, PEC_pfm_1)
+
+  # 10 g/ha, Koc = 300000 L/kg, DT50 = 10 days
+  PEC_spreadsheet_2 <- data.frame(dissolved = c(0, 0, 0, 0),
+                                  total = c(0.141, 0.122, 0.039, 0.018))
+  PEC_pfm_2 <- round(PEC_sw_exposit_runoff(10, Koc = 300000, DT50 = 10)$PEC_sw_runoff, 3)[c("dissolved", "total")]
+  expect_equivalent(PEC_spreadsheet_2, PEC_pfm_2)
+
+  # 200 g/ha, Koc = 30 L/kg, DT50 = 100 days
+  PEC_spreadsheet_3 <- data.frame(dissolved = c(1.138, 0.986, 0.845, 0.592),
+                                  total = c(1.138, 0.986, 0.845, 0.592))
+  PEC_pfm_3 <- round(PEC_sw_exposit_runoff(200, Koc = 30, DT50 = 100)$PEC_sw_runoff, 3)[c("dissolved", "total")]
+  expect_equivalent(PEC_spreadsheet_3, PEC_pfm_3)
+})
author	Johannes Ranke <jranke@uni-bremen.de>	2017-10-27 18:15:29 +0200
committer	Johannes Ranke <jranke@uni-bremen.de>	2017-10-27 18:15:29 +0200
commit	06b528f0c19ca9f7a311612c0e9ae80c0d0c1d3f (patch)
tree	4a848f6f825289cdd12d4ff10c26f582854cb792
parent	2cd464455a22791c0450ada45a0e0128c637fade (diff)