From 12934520d7ec3218ce1505787b6066334a24a562 Mon Sep 17 00:00:00 2001
From: jranke <jranke@edb9625f-4e0d-4859-8d74-9fd3b1da38cb>
Date: Tue, 30 Mar 2010 19:49:44 +0000
Subject: Initial import of the kinfit package developed from 2008-07 to
 2010-03 at Harlan Laboratories Ltd (former RCC Ltd).

Supports fitting of parent data with the usual FOCUS kinetic models.



git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/kinfit@2 edb9625f-4e0d-4859-8d74-9fd3b1da38cb
---
 man/kinfit.Rd | 77 +++++++++++++++++++++++++++++++++++++++++++++++++++++++++++
 1 file changed, 77 insertions(+)
 create mode 100644 man/kinfit.Rd

(limited to 'man/kinfit.Rd')

diff --git a/man/kinfit.Rd b/man/kinfit.Rd
new file mode 100644
index 0000000..f0301fd
--- /dev/null
+++ b/man/kinfit.Rd
@@ -0,0 +1,77 @@
+\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, 
+  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 = "port")
+}
+\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{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 }
-- 
cgit v1.2.1