- Added the reference fit data for FOCUS 2006 datasets from the kinfit package

- Used these data in unit tests for parent only models
- Fixed SFORB data and calculation of formation fractions along the way
- Reintroduced the test for the Schaefer 2007 data
- Got rid of the mkinmod unit tests - they are too hard to maintain and the mkinfit
  tests test the model definitions as well

git-svn-id: svn+ssh://svn.r-forge.r-project.org/svnroot/kinfit/pkg/mkin@32 edb9625f-4e0d-4859-8d74-9fd3b1da38cb

1 files changed, 39 insertions, 0 deletions

diff --git a/man/FOCUS_2006_HS_ref_A_to_F.Rd b/man/FOCUS_2006_HS_ref_A_to_F.Rd
new file mode 100644
index 0000000..6fc9993
--- /dev/null
+++ b/man/FOCUS_2006_HS_ref_A_to_F.Rd
@@ -0,0 +1,39 @@
+\name{FOCUS_2006_HS_ref_A_to_F}

+\Rdversion{1.1}

+\alias{FOCUS_2006_HS_ref_A_to_F}

+\docType{data}

+\title{

+Results of fitting the HS model to Datasets A to F of FOCUS (2006)

+}

+\description{

+A table with the fitted parameters and the resulting DT50 and DT90 values

+generated with different software packages. Taken directly from FOCUS (2006).

+The results from fitting the data with the Topfit software was removed, as

+the initial concentration of the parent compound was fixed to a value of 100

+in this fit.

+}

+\usage{data(FOCUS_2006_HS_ref_A_to_F)}

+\format{

+  A data frame containing the following variables.

+  \describe{

+    \item{\code{package}}{a factor giving the name of the software package}

+    \item{\code{M0}}{The fitted initial concentration of the parent compound}

+    \item{\code{tb}}{The fitted tb parameter}

+    \item{\code{k1}}{The fitted k1 parameter}

+    \item{\code{k2}}{The fitted k2 parameter}

+    \item{\code{DT50}}{The resulting half-life of the parent compound}

+    \item{\code{DT90}}{The resulting DT90 of the parent compound}

+    \item{\code{dataset}}{The FOCUS dataset that was used}

+  }

+}

+\source{

+  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} 

+}

+\examples{

+data(FOCUS_2006_HS_ref_A_to_F)

+}

+\keyword{datasets}