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authorjranke <jranke@edb9625f-4e0d-4859-8d74-9fd3b1da38cb>2010-05-20 18:02:42 +0000
committerjranke <jranke@edb9625f-4e0d-4859-8d74-9fd3b1da38cb>2010-05-20 18:02:42 +0000
commita4421eba19eae98a0bd00adb4e8c6d72cc49f9fb (patch)
tree5692b056191b9197c900404410b17306da6526db /man/schaefer07_complex_case.Rd
parent16f5b1d3c0136413e92b2be0f20d365e92e9cd1c (diff)
Various improvements, the most prominent being the addition of the
test dataset from the original KinGUI Piacenza paper. git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@10 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
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+\name{schaefer07_complex_case}
+\alias{schaefer07_complex_case}
+\encoding{latin1}
+\docType{data}
+\title{
+ 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 (Schäfer et al., 2007).
+}
+\usage{data(schaefer07_complex_case)}
+\format{
+ A data frame with 8 observations on the following 6 variables.
+ \describe{
+ \item{\code{time}}{a numeric vector}
+ \item{\code{parent}}{a numeric vector}
+ \item{\code{A1}}{a numeric vector}
+ \item{\code{B1}}{a numeric vector}
+ \item{\code{C1}}{a numeric vector}
+ \item{\code{A2}}{a numeric vector}
+ }
+}
+\source{
+ Schäfer D, Mikolasch M, 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"))
+\dontrun{mkinfit(model, data, plot=TRUE)}
+}
+\keyword{datasets}

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