FOCUS_2006_DFOP_ref_A_to_B

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.

datasets

Calculation routines based on the FOCUS Kinetics Report (2006,
2014). Includes a function for conveniently defining differential equation
models, model solution based on eigenvalues if possible or using numerical
solvers. If a C compiler (on windows: 'Rtools') is installed, differential
equation models are solved using automatically generated C functions.
Heteroscedasticity can be taken into account using variance by variable or
two-component error models as described by Ranke and Meinecke (2018)
<doi:10.3390/environments6120124>. Hierarchical degradation models can
be fitted using nonlinear mixed-effects model packages as a back end as
described by Ranke et al. (2021) <doi:10.3390/environments8080071>. Please
note that no warranty is implied for correctness of results or fitness for a
particular purpose.

Johannes Ranke

mkin

Kinetic Evaluation of Chemical Degradation Data

Katrin Lindenberger

René Lehmann

Eurofins Regulatory AG 

FOCUS_2006_DFOP_ref_A_to_B function

A data frame containing the following variables.<dl>
 <dt><code>package</code></dt>
<dd>a factor giving the name of the software package</dd> <dt><code>M0</code></dt>
<dd>The fitted initial concentration of the parent compound</dd> <dt><code>f</code></dt>
<dd>The fitted f parameter</dd> <dt><code>k1</code></dt>
<dd>The fitted k1 parameter</dd> <dt><code>k2</code></dt>
<dd>The fitted k2 parameter</dd> <dt><code>DT50</code></dt>
<dd>The resulting half-life of the parent compound</dd> <dt><code>DT90</code></dt>
<dd>The resulting DT90 of the parent compound</dd> <dt><code>dataset</code></dt>
<dd>The FOCUS dataset that was used</dd> 
</dl>

Format

Results of fitting the DFOP model to Datasets A to B of FOCUS (2006) — FOCUS_2006_DFOP_ref_A_to_B

A data frame containing the following variables.<dl>
 <dt><code>package</code></dt>
<dd>a factor giving the name of the software package</dd>

 <dt><code>M0</code></dt>
<dd>The fitted initial concentration of the parent compound</dd>

 <dt><code>f</code></dt>
<dd>The fitted f parameter</dd>

 <dt><code>k1</code></dt>
<dd>The fitted k1 parameter</dd>

 <dt><code>k2</code></dt>
<dd>The fitted k2 parameter</dd>

 <dt><code>DT50</code></dt>
<dd>The resulting half-life of the parent compound</dd>

 <dt><code>DT90</code></dt>
<dd>The resulting DT90 of the parent compound</dd>

 <dt><code>dataset</code></dt>
<dd>The FOCUS dataset that was used</dd>

 
</dl>

FOCUS_2006_DFOP_ref_A_to_B: Results of fitting the DFOP model to Datasets A to B of FOCUS (2006)

Description

Usage

Arguments

Format

Examples