#' Aerobic soil degradation data on dimethenamid and dimethenamid-P from the EU assessment in 2018 #' #' The datasets were extracted from the active substance evaluation dossier #' published by EFSA. Kinetic evaluations shown for these datasets are intended #' to illustrate and advance kinetic modelling. The fact that these data and #' some results are shown here does 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. #' #' The R code used to create this data object is installed with this package #' in the 'dataset_generation' directory. In the code, page numbers are given for #' specific pieces of information in the comments. #' #' @format An [mkindsg] object grouping seven datasets with some meta information #' @source Rapporteur Member State Germany, Co-Rapporteur Member State Bulgaria (2018) #' Renewal Assessment Report Dimethenamid-P Volume 3 - B.8 Environmental fate and behaviour #' Rev. 2 - November 2017 #' https://open.efsa.europa.eu/study-inventory/EFSA-Q-2014-00716 #' @examples #' print(dimethenamid_2018) #' dmta_ds <- lapply(1:7, function(i) { #' ds_i <- dimethenamid_2018$ds[[i]]$data #' ds_i[ds_i$name == "DMTAP", "name"] <- "DMTA" #' ds_i$time <- ds_i$time * dimethenamid_2018$f_time_norm[i] #' ds_i #' }) #' names(dmta_ds) <- sapply(dimethenamid_2018$ds, function(ds) ds$title) #' dmta_ds[["Elliot"]] <- rbind(dmta_ds[["Elliot 1"]], dmta_ds[["Elliot 2"]]) #' dmta_ds[["Elliot 1"]] <- NULL #' dmta_ds[["Elliot 2"]] <- NULL #' \dontrun{ #' # We don't use DFOP for the parent compound, as this gives numerical #' # instabilities in the fits #' sfo_sfo3p <- mkinmod( #' DMTA = mkinsub("SFO", c("M23", "M27", "M31")), #' M23 = mkinsub("SFO"), #' M27 = mkinsub("SFO"), #' M31 = mkinsub("SFO", "M27", sink = FALSE), #' quiet = TRUE #' ) #' dmta_sfo_sfo3p_tc <- mmkin(list("SFO-SFO3+" = sfo_sfo3p), #' dmta_ds, error_model = "tc", quiet = TRUE) #' print(dmta_sfo_sfo3p_tc) #' # The default (test_log_parms = FALSE) gives an undue #' # influence of ill-defined rate constants that have #' # extremely small values: #' plot(mixed(dmta_sfo_sfo3p_tc), test_log_parms = FALSE) #' # If we disregards ill-defined rate constants, the results #' # look more plausible, but the truth is likely to be in #' # between these variants #' plot(mixed(dmta_sfo_sfo3p_tc), test_log_parms = TRUE) #' # We can also specify a default value for the failing #' # log parameters, to mimic FOCUS guidance #' plot(mixed(dmta_sfo_sfo3p_tc), test_log_parms = TRUE, #' default_log_parms = log(2)/1000) #' # As these attempts are not satisfying, we use nonlinear mixed-effects models #' # f_dmta_nlme_tc <- nlme(dmta_sfo_sfo3p_tc) #' # nlme reaches maxIter = 50 without convergence #' f_dmta_saem_tc <- saem(dmta_sfo_sfo3p_tc) #' # I am commenting out the convergence plot as rendering them #' # with pkgdown fails (at least without further tweaks to the #' # graphics device used) #' #saemix::plot(f_dmta_saem_tc$so, plot.type = "convergence") #' summary(f_dmta_saem_tc) #' # As the confidence interval for the random effects of DMTA_0 #' # includes zero, we could try an alternative model without #' # such random effects #' # f_dmta_saem_tc_2 <- saem(dmta_sfo_sfo3p_tc, #' # covariance.model = diag(c(0, rep(1, 7)))) #' # saemix::plot(f_dmta_saem_tc_2$so, plot.type = "convergence") #' # This does not perform better judged by AIC and BIC #' # saemix::compare.saemix(f_dmta_saem_tc$so, f_dmta_saem_tc_2$so) #' } "dimethenamid_2018"