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authorJohannes Ranke <jranke@uni-bremen.de>2019-06-05 17:03:19 +0200
committerJohannes Ranke <jranke@uni-bremen.de>2019-06-05 17:03:19 +0200
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+\name{experimental_data_for_UBA_2019}
+\alias{experimental_data_for_UBA_2019}
+\docType{data}
+\title{
+ Experimental datasets used for development and testing of error models
+}
+\description{
+ The 12 datasets were extracted from active substance evaluation dossiers published
+ by EFSA. Kinetic evaluations shown for these datasets are intended to illustrate
+ and advance error model specifications. The fact that these data and some
+ results are shown here do not imply a license to use them in the context of
+ pesticide registrations, as the use of the data may be constrained by
+ data protection regulations.
+
+ Preprocessing of data was performed based on the recommendations of the FOCUS
+ kinetics workgroup (FOCUS, 2014) as described below.
+
+ Datasets 1 and 2 are from the Renewal Assessment Report (RAR) for imazamox
+ (France, 2015, p. 15). For setting values reported as zero, an LOQ of 0.1
+ was assumed. Metabolite residues reported for day zero were added to the
+ parent compound residues.
+
+ Datasets 3 and 4 are from the Renewal Assessment Report (RAR) for isofetamid
+ (Belgium, 2014, p. 8) and show the data for two different radiolabels. For
+ dataset 4, the value given for the metabolite in the day zero sampling
+ in replicate B was added to the parent compound, following the respective
+ FOCUS recommendation.
+
+ Dataset 5 is from the Renewal Assessment Report (RAR) for ethofumesate
+ (Austria, 2015, p. 16).
+
+ Datasets 6 to 10 are from the Renewal Assessment Report (RAR) for glyphosate
+ (Germany, 2013a, pages 8, 28, 50, 51). For the initial sampling,
+ the residues given for the metabolite were added to the parent
+ value, following the recommendation of the FOCUS kinetics workgroup.
+
+ Dataset 11 is from the Renewal Assessment Report (RAR) for 2,4-D
+ (Germany, 2013b, p. 644). Values reported as zero were set to NA, with
+ the exception of the day three sampling of metabolite A2, which was set
+ to one half of the LOD reported to be 1\% AR.
+
+ Dataset 12 is from the Renewal Assessment Report (RAR) for thifensulfuron-methyl
+ (United Kingdom, 2014, p. 81).
+
+}
+\usage{experimental_data_for_UBA_2019}
+\format{
+ A list containing twelve datasets as an R6 class defined by \code{\link{mkinds}},
+ each containing, among others, the following components
+ \describe{
+ \item{\code{title}}{The name of the dataset, e.g. \code{Soil 1}}
+ \item{\code{data}}{A data frame with the data in the form expected by \code{\link{mkinfit}}}
+ }
+}
+\source{
+
+ Austria (2015). Ethofumesate Renewal Assessment Report Volume 3 Annex B.8 (AS)
+
+ Belgium (2014). Isofetamid (IKF-5411) Draft Assessment Report Volume 3 Annex B.8 (AS)
+
+ France (2015). Imazamox Draft Renewal Assessment Report Volume 3 Annex B.8 (AS)
+
+ FOCUS (2014) \dQuote{Generic guidance for Estimating Persistence and
+ Degradation Kinetics from Environmental Fate Studies on Pesticides in EU
+ Registration} Report of the FOCUS Work Group on Degradation Kinetics,
+ Version 1.1, 18 December 2014
+ \url{http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics}
+
+ Germany (2013a). Renewal Assessment Report Glyphosate Volume 3 Annex B.8: Environmental Fate
+ and Behaviour
+
+ Germany (2013b). Renewal Assessment Report 2,4-D Volume 3 Annex B.8: Fate and behaviour in the
+ environment
+
+ Ranke (2019) Documentation of results obtained for the error model expertise
+ written for the German Umweltbundesamt.
+
+ United Kingdom (2014). Thifensulfuron-methyl - Annex B.8 (Volume 3) to the Report and Proposed
+ Decision of the United Kingdom made to the European Commission under Regulation (EC) No.
+ 1141/2010 for renewal of an active substance
+
+}
+\examples{\dontrun{
+
+# Model definitions
+sfo_sfo <- mkinmod(
+ parent = mkinsub("SFO", to = "A1"),
+ A1 = mkinsub("SFO"),
+ use_of_ff = "max"
+)
+
+dfop_sfo <- mkinmod(
+ parent = mkinsub("DFOP", to = "A1"),
+ A1 = mkinsub("SFO"),
+ use_of_ff = "max"
+)
+
+sfo_sfo_sfo <- mkinmod(
+ parent = mkinsub("SFO", to = "A1"),
+ A1 = mkinsub("SFO", to = "A2"),
+ A2 = mkinsub("SFO"),
+ use_of_ff = "max"
+)
+
+dfop_sfo_sfo <- mkinmod(
+ parent = mkinsub("DFOP", to = "A1"),
+ A1 = mkinsub("SFO", to = "A2"),
+ A2 = mkinsub("SFO"),
+ use_of_ff = "max"
+)
+d_1_2 <- lapply(experimental_data_for_UBA_2019[1:2], function(x) x$data)
+names(d_1_2) <- paste("Soil", 1:2)
+
+
+f_1_2_tc <- mmkin(list("DFOP-SFO-SFO" = dfop_sfo_sfo), d_1_2, error_model = "tc")
+
+plot(f_1_2_tc, resplot = "errmod")
+
+}}
+\keyword{datasets}

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