R: Metabolism data set used for checking the software quality of...
schaefer07_complex_case
R Documentation
Metabolism data set used for checking the software quality of KinGUI
Description
This dataset was used for a comparison of KinGUI and ModelMaker to check the
software quality of KinGUI in the original publication (Sch<c3><83><c2><a4>fer et al., 2007).
The results from the fitting are also included.
Usage
data(schaefer07_complex_case)
Format
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
References
Sch<c3><83><c2><a4>fer 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.
Examples
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: mkinfit(model, data, plot=TRUE)