schaefer07_complex_case {mkin} | R Documentation |
This dataset was used for a comparison of KinGUI and ModelMaker to check the software quality of KinGUI in the original publication (Schäfer et al., 2007). The results from the fitting are also included.
schaefer07_complex_case
The data set is a data frame with 8 observations on the following 6 variables.
time
a numeric vector
parent
a numeric vector
A1
a numeric vector
B1
a numeric vector
C1
a numeric vector
A2
a numeric vector
The results are a data frame with 14 results for different parameter values
Schäfer D, Mikolasch B, Rainbird P and Harvey B (2007). KinGUI: a new kinetic software tool for evaluations according to FOCUS degradation kinetics. In: Del Re AAM, Capri E, Fragoulis G and Trevisan M (Eds.). Proceedings of the XIII Symposium Pesticide Chemistry, Piacenza, 2007, p. 916-923.
data <- mkin_wide_to_long(schaefer07_complex_case, time = "time") model <- mkinmod( parent = list(type = "SFO", to = c("A1", "B1", "C1"), sink = FALSE), A1 = list(type = "SFO", to = "A2"), B1 = list(type = "SFO"), C1 = list(type = "SFO"), A2 = list(type = "SFO"), use_of_ff = "max") ## Not run: fit <- mkinfit(model, data, quiet = TRUE) plot(fit) endpoints(fit) ## End(Not run) # Compare with the results obtained in the original publication print(schaefer07_complex_results)