mkin (version 0.9-31)

schaefer07_complex_case: 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�fer et al., 2007). The results from the fitting are also included.

Usage

data(schaefer07_complex_case)

encoding

latin1

References

Sch�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"))
mkinfit(model, data, plot=TRUE)