% Generated by roxygen2: do not edit by hand % Please edit documentation in R/add_err.R \name{add_err} \alias{add_err} \title{Add normally distributed errors to simulated kinetic degradation data} \usage{ add_err( prediction, sdfunc, secondary = c("M1", "M2"), n = 10, LOD = 0.1, reps = 2, digits = 1, seed = NA ) } \arguments{ \item{prediction}{A prediction from a kinetic model as produced by \code{\link{mkinpredict}}.} \item{sdfunc}{A function taking the predicted value as its only argument and returning a standard deviation that should be used for generating the random error terms for this value.} \item{secondary}{The names of state variables that should have an initial value of zero} \item{n}{The number of datasets to be generated.} \item{LOD}{The limit of detection (LOD). Values that are below the LOD after adding the random error will be set to NA.} \item{reps}{The number of replicates to be generated within the datasets.} \item{digits}{The number of digits to which the values will be rounded.} \item{seed}{The seed used for the generation of random numbers. If NA, the seed is not set.} } \value{ A list of datasets compatible with \code{\link{mmkin}}, i.e. the components of the list are datasets compatible with \code{\link{mkinfit}}. } \description{ Normally distributed errors are added to data predicted for a specific degradation model using \code{\link{mkinpredict}}. The variance of the error may depend on the predicted value and is specified as a standard deviation. } \examples{ # The kinetic model m_SFO_SFO <- mkinmod(parent = mkinsub("SFO", "M1"), M1 = mkinsub("SFO"), use_of_ff = "max") # Generate a prediction for a specific set of parameters sampling_times = c(0, 1, 3, 7, 14, 28, 60, 90, 120) # This is the prediction used for the "Type 2 datasets" on the Piacenza poster # from 2015 d_SFO_SFO <- mkinpredict(m_SFO_SFO, c(k_parent = 0.1, f_parent_to_M1 = 0.5, k_M1 = log(2)/1000), c(parent = 100, M1 = 0), sampling_times) # Add an error term with a constant (independent of the value) standard deviation # of 10, and generate three datasets d_SFO_SFO_err <- add_err(d_SFO_SFO, function(x) 10, n = 3, seed = 123456789 ) # Name the datasets for nicer plotting names(d_SFO_SFO_err) <- paste("Dataset", 1:3) # Name the model in the list of models (with only one member in this case) for # nicer plotting later on. Be quiet and use only one core not to offend CRAN # checks \dontrun{ f_SFO_SFO <- mmkin(list("SFO-SFO" = m_SFO_SFO), d_SFO_SFO_err, cores = 1, quiet = TRUE) plot(f_SFO_SFO) # We would like to inspect the fit for dataset 3 more closely # Using double brackets makes the returned object an mkinfit object # instead of a list of mkinfit objects, so plot.mkinfit is used plot(f_SFO_SFO[[3]], show_residuals = TRUE) # If we use single brackets, we should give two indices (model and dataset), # and plot.mmkin is used plot(f_SFO_SFO[1, 3]) } } \references{ Ranke J and Lehmann R (2015) To t-test or not to t-test, that is the question. XV Symposium on Pesticide Chemistry 2-4 September 2015, Piacenza, Italy https://jrwb.de/posters/piacenza_2015.pdf } \author{ Johannes Ranke }