mkin 0.9.43

Metabolism data set used for checking the software quality of KinGUI

Usage

data(schaefer07_complex_case)

Description

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.

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

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.

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")


Successfully compiled differential equation model from auto-generated C code.

## Not run: mkinfit(model, data, plot=TRUE)