mkin (version 1.0.3)

test_data_from_UBA_2014: Three experimental datasets from two water sediment systems and one soil

Description

The datasets were used for the comparative validation of several kinetic evaluation software packages (Ranke, 2014).

Usage

test_data_from_UBA_2014

Format

A list containing three datasets as an R6 class defined by mkinds. Each dataset has, among others, the following components

title

The name of the dataset, e.g. UBA_2014_WS_river

data

A data frame with the data in the form expected by mkinfit

Examples

# NOT RUN {
  
# }
# NOT RUN {
  # This is a level P-II evaluation of the dataset according to the FOCUS kinetics
  # guidance. Due to the strong correlation of the parameter estimates, the
  # covariance matrix is not returned. Note that level P-II evaluations are
  # generally considered deprecated due to the frequent occurrence of such
  # large parameter correlations, among other reasons (e.g. the adequacy of the
  # model).
  m_ws <- mkinmod(parent_w = mkinsub("SFO", "parent_s"),
                  parent_s = mkinsub("SFO", "parent_w"))
  f_river <- mkinfit(m_ws, test_data_from_UBA_2014[[1]]$data, quiet = TRUE)
  plot_sep(f_river)

  summary(f_river)$bpar
  mkinerrmin(f_river)

  # This is the evaluation used for the validation of software packages
  # in the expertise from 2014
  m_soil <- mkinmod(parent = mkinsub("SFO", c("M1", "M2")),
                    M1 = mkinsub("SFO", "M3"),
                    M2 = mkinsub("SFO", "M3"),
                    M3 = mkinsub("SFO"),
                    use_of_ff = "max")

  f_soil <- mkinfit(m_soil, test_data_from_UBA_2014[[3]]$data, quiet = TRUE)
  plot_sep(f_soil, lpos = c("topright", "topright", "topright", "bottomright"))
  summary(f_soil)$bpar
  mkinerrmin(f_soil)
  
# }