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\name{mccall81_245T}
\alias{mccall81_245T}
\docType{data}
\title{
Datasets on aerobic soil metabolism of 2,4,5-T in six soils
}
\description{
Time course of 2,4,5-trichlorophenoxyacetic acid, and the corresponding
2,4,5-trichlorophenol and 2,4,5-trichloroanisole as recovered in diethylether
extracts.
}
\usage{mccall81_245T}
\format{
A dataframe containing the following variables.
\describe{
\item{\code{name}}{the name of the compound observed. Note that T245 is used as
an acronym for 2,4,5-T. T245 is a legitimate object name
in R, which is necessary for specifying models using
\code{\link{mkinmod}}.}
\item{\code{time}}{a numeric vector containing sampling times in days after
treatment}
\item{\code{value}}{a numeric vector containing concentrations in percent of applied radioactivity}
\item{\code{soil}}{a factor containing the name of the soil}
}
}
\source{
McCall P, Vrona SA, Kelley SS (1981) Fate of uniformly carbon-14 ring labeled 2,4,5-Trichlorophenoxyacetic acid and 2,4-dichlorophenoxyacetic acid. J Agric Chem 29, 100-107
\url{http://dx.doi.org/10.1021/jf00103a026}
}
\examples{
SFO_SFO_SFO <- mkinmod(T245 = list(type = "SFO", to = "phenol"),
phenol = list(type = "SFO", to = "anisole"),
anisole = list(type = "SFO"))
\dontrun{
fit.1 <- mkinfit(SFO_SFO_SFO, subset(mccall81_245T, soil == "Commerce"), quiet = TRUE)
summary(fit.1)$bpar
endpoints(fit.1)
# No convergence, no covariance matrix ...
# k_phenol_sink is really small, therefore fix it to zero
fit.2 <- mkinfit(SFO_SFO_SFO, subset(mccall81_245T, soil == "Commerce"),
parms.ini = c(k_phenol_sink = 0),
fixed_parms = "k_phenol_sink", quiet = TRUE)
summary(fit.2)$bpar
endpoints(fit.1)
}
}
\keyword{datasets}
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