From d60bb9c0b52c8e0452bfbe507e60d5f651589cc8 Mon Sep 17 00:00:00 2001
From: Johannes Ranke 
A list containing substance specific parameters
A list containing substance specific parameters, e.g.
+conveniently generated by chent_focus_sw.
A list containing metabolite specific parameters. If not NULL, +
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.
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 
+of applications via the drift data defined by the
 FOCUS_Step_12_scenarios
FOCUS_Step_12_scenar
 
     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
-Step 2 is not implemented
+  documented in the model description coming with the calculator. As one would
+  expecte, this additional input 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.
+Step 2 is not implemented.
     
     References
 
@@ -173,18 +178,18 @@ names given in FOCUS_Step_12_scenar
 #> 
 #> $PEC
 #>      type
-#> Time         PECsw  TWAECsw       PECsed TWAECsed
-#>   0   6.850566e+02       NA 2.362075e+03       NA
-#>   1   6.103161e+02 647.6864 2.104370e+03 2233.223
-#>   2   5.437298e+02       NA 1.874780e+03       NA
-#>   4   4.315586e+02       NA 1.488014e+03       NA
-#>   7   3.051580e+02       NA 1.052185e+03       NA
-#>   14  1.359325e+02       NA 4.686951e+02       NA
-#>   21  6.055102e+01       NA 2.087799e+02       NA
-#>   28  2.697241e+01       NA 9.300089e+01       NA
-#>   42  5.352005e+00       NA 1.845371e+01       NA
-#>   50  2.123945e+00       NA 7.323361e+00       NA
-#>   100 6.585062e-03       NA 2.270529e-02       NA
+#> Time         PECsw   TWAECsw       PECsed  TWAECsed
+#>   0   6.850566e+02        NA 2.362075e+03        NA
+#>   1   6.103161e+02 647.68635 2.104370e+03 2233.2225
+#>   2   5.437298e+02 612.03420 1.874780e+03 2110.2939
+#>   4   4.315586e+02 548.76030 1.488014e+03 1892.1255
+#>   7   3.051580e+02 469.88375 1.052185e+03 1620.1592
+#>   14  1.359325e+02 339.57370 4.686951e+02 1170.8501
+#>   21  6.055102e+01 257.45458 2.087799e+02  887.7034
+#>   28  2.697241e+01 203.47173 9.300089e+01  701.5705
+#>   42  5.352005e+00 140.10377 1.845371e+01  483.0778
+#>   50  2.123945e+00 118.24602 7.323361e+00  407.7123
+#>   100 6.585062e-03  59.30629 2.270529e-02  204.4881
 #> 
 #> $PEC_sw_max
 #> [1] 685.0566
@@ -224,15 +229,15 @@ names given in FOCUS_Step_12_scenar
 #> Time     PECsw  TWAECsw   PECsed TWAECsed
 #>   0   62.50000       NA 31.25000       NA
 #>   1   62.06828 62.28414 31.03414 31.14207
-#>   2   61.63954       NA 30.81977       NA
-#>   4   60.79093       NA 30.39547       NA
-#>   7   59.53987       NA 29.76994       NA
-#>   14  56.71995       NA 28.35997       NA
-#>   21  54.03358       NA 27.01679       NA
-#>   28  51.47444       NA 25.73722       NA
-#>   42  46.71404       NA 23.35702       NA
-#>   50  44.19417       NA 22.09709       NA
-#>   100 31.25000       NA 15.62500       NA
+#>   2   61.63954 62.06890 30.81977 31.03445
+#>   4   60.79093 61.64158 30.39547 30.82079
+#>   7   59.53987 61.00800 29.76994 30.50400
+#>   14  56.71995 59.56326 28.35997 29.78163
+#>   21  54.03358 58.16414 27.01679 29.08207
+#>   28  51.47444 56.80902 25.73722 28.40451
+#>   42  46.71404 54.22460 23.35702 27.11230
+#>   50  44.19417 52.81945 22.09709 26.40973
+#>   100 31.25000 45.08422 15.62500 22.54211
 #> 
 #> $PEC_sw_max
 #> [1] 62.5
-- 
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