1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
|
\name{kinfit}
\Rdversion{1.1}
\alias{kinfit}
\title{
Fit kinetic models to chemical degradation data
}
\description{
A selection of kinetic models as defined in the FOCUS kinetics report from
2006 are fitted to a given dataframe of chemical degradation data.
}
\usage{
kinfit(kindata, kinmodels = c("SFO"), parent.0.user = NA, parent.0.fixed = FALSE,
start.SFO = list(parent.0 = NA, k = NA),
start.FOMC = list(parent.0 = NA, alpha = NA, beta = NA),
start.DFOP = list(parent.0 = NA, k1 = NA, k2 = NA, g = NA),
start.HS = list(parent.0 = NA, k1 = NA, k2 = NA, tb = NA),
algorithm = "default")
}
\arguments{
\item{kindata}{
A data frame containing a time variable named \code{t} and concentration
data for the parent compound named \code{parent}.
}
\item{kinmodels}{
An array of character strings which are names of the models to be fit.
Possible names are \code{\link{SFO}}, \code{\link{FOMC}}, \code{\link{DFOP}}
and \code{\link{HS}}.
}
\item{parent.0.user}{
The user can give a starting estimate for parent.0 here, overriding other
potential sources for starting values as specified below.
}
\item{parent.0.fixed}{
If TRUE, the initial value for the observed value will be fixed to the
value specified by \code{parent.0.user}.
}
\item{start.SFO}{
A list of starting parameters for fitting the \code{\link{SFO}} model,
containing \code{parent.0} and \code{k}.
}
\item{start.FOMC}{
A list of starting parameters for fitting the \code{\link{FOMC}} model,
containing \code{parent.0}, \code{alpha} and \code{beta}.
}
\item{start.DFOP}{
A list of starting parameters for fitting the \code{\link{DFOP}} model,
containing \code{parent.0}, \code{k1}, \code{k2} and \code{g}.
}
\item{start.HS}{
A list of starting parameters for fitting the \code{\link{HS}} model,
containing \code{parent.0}, \code{k1}, \code{k2} and \code{tb}.
}
\item{algorithm}{
The algorithm to use for the calls to \code{\link{nls}}.
}
}
\details{
Per default all starting parameters are \code{NA} and the function tries to
find suitable starting parameters on its own.
}
\value{
A list of models of class \code{nls} representing the models that were
fitted successfully.
}
\references{
FOCUS (2006) \dQuote{Guidance Document on Estimating Persistence and
Degradation Kinetics from Environmental Fate Studies on Pesticides in EU
Registration} Report of the FOCUS Work Group on Degradation Kinetics,
EC Document Reference Sanco/10058/2005 version 2.0, 434 pp,
\url{http://focus.jrc.ec.europa.eu/dk}
}
\author{ Johannes Ranke }
\examples{
data(FOCUS_2006_A)
(kinfits <- kinfit(FOCUS_2006_A))
data(FOCUS_2006_B)
(kinfits <- kinfit(FOCUS_2006_B, kinmodels=c("SFO","FOMC")))
}
\keyword{ models }
\keyword{ regression }
\keyword{ nonlinear }
|
