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- </div> - - - -<p>Since version 0.9.45.1 of the ‘mkin’ package, a function for -calculating time weighted average concentrations for decline kinetics -(<em>i.e.</em> only for the compound applied in the experiment) is -included. Strictly speaking, they are maximum moving window time -weighted average concentrations, <em>i.e.</em> the maximum time weighted -average concentration that can be found when moving a time window of a -specified width over the decline curve.</p> -<p>Time weighted average concentrations for the SFO, FOMC and the DFOP -model are calculated using the formulas given in the FOCUS kinetics -guidance <span class="citation">(FOCUS Work Group on Degradation -Kinetics 2014, 251)</span>:</p> -<p>SFO:</p> -<p><span class="math display">\[c_\textrm{twa} = c_0 \frac{\left( 1 - -e^{- k t} \right)}{ k t} \]</span></p> -<p>FOMC:</p> -<p><span class="math display">\[c_\textrm{twa} = c_0 \frac{\beta}{t (1 - -\alpha)} - \left( \left(\frac{t}{\beta} + 1 \right)^{1 - \alpha} -- 1 \right) \]</span></p> -<p>DFOP:</p> -<p><span class="math display">\[c_\textrm{twa} = \frac{c_0}{t} \left( - \frac{g}{k_1} \left( 1 - e^{- k_1 t} \right) + - \frac{1-g}{k_2} \left( 1 - e^{- k_2 t} \right) \right) \]</span></p> -<p>HS for <span class="math inline">\(t > t_b\)</span>:</p> -<p><span class="math display">\[c_\textrm{twa} = \frac{c_0}{t} \left( - \frac{1}{k_1} \left( 1 - e^{- k_1 t_b} \right) + - \frac{e^{- k_1 t_b}}{k_2} \left( 1 - e^{- k_2 (t - t_b)} -\right) \right) \]</span></p> -<p>Often, the ratio between the time weighted average concentration -<span class="math inline">\(c_\textrm{twa}\)</span> and the initial -concentration <span class="math inline">\(c_0\)</span></p> -<p><span class="math display">\[f_\textrm{twa} = -\frac{c_\textrm{twa}}{c_0}\]</span></p> -<p>is needed. This can be calculated from the fitted initial -concentration <span class="math inline">\(c_0\)</span> and the time -weighted average concentration <span class="math inline">\(c_\textrm{twa}\)</span>, or directly from the -model parameters using the following formulas:</p> -<p>SFO:</p> -<p><span class="math display">\[f_\textrm{twa} = \frac{\left( 1 - e^{- k -t} \right)}{k t} \]</span></p> -<p>FOMC:</p> -<p><span class="math display">\[f_\textrm{twa} = \frac{\beta}{t (1 - -\alpha)} - \left( \left(\frac{t}{\beta} + 1 \right)^{1 - \alpha} -- 1 \right) \]</span></p> -<p>DFOP:</p> -<p><span class="math display">\[f_\textrm{twa} = \frac{1}{t} \left( - \frac{g}{k_1} \left( 1 - e^{- k_1 t} \right) + - \frac{1-g}{k_2} \left( 1 - e^{- k_2 t} \right) \right) \]</span></p> -<p>HS for <span class="math inline">\(t > t_b\)</span>:</p> -<p><span class="math display">\[f_\textrm{twa} = \frac{1}{t} \left( - \frac{1}{k_1} \left( 1 - e^{- k_1 t_b} \right) + - \frac{e^{- k_1 t_b}}{k_2} \left( 1 - e^{- k_2 (t - t_b)} -\right) \right) \]</span></p> -<p>Note that a method for calculating maximum moving window time -weighted average concentrations for a model fitted by ‘mkinfit’ or from -parent decline model parameters is included in the -<code><a href="../reference/max_twa_parent.html">max_twa_parent()</a></code> function. If the same is needed for -metabolites, the function <code><a href="https://pkgdown.jrwb.de/pfm/reference/max_twa.html" class="external-link">pfm::max_twa()</a></code> from the ‘pfm’ -package can be used.</p> -<div id="refs" class="references csl-bib-body hanging-indent"> -<div id="ref-FOCUSkinetics2014" class="csl-entry"> -FOCUS Work Group on Degradation Kinetics. 2014. <em>Generic Guidance for -Estimating Persistence and Degradation Kinetics from Environmental Fate -Studies on Pesticides in EU Registration</em>. 1.1 ed. <a href="http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics" class="external-link">http://esdac.jrc.ec.europa.eu/projects/degradation-kinetics</a>. -</div> -</div> - </div> - - <div class="col-md-3 hidden-xs hidden-sm" id="pkgdown-sidebar"> - - </div> - -</div> - - - - <footer><div class="copyright"> - <p></p> -<p>Developed by Johannes Ranke.</p> -</div> - -<div class="pkgdown"> - <p></p> -<p>Site built with <a href="https://pkgdown.r-lib.org/" class="external-link">pkgdown</a> 2.0.7.</p> -</div> - - </footer> -</div> - - - - - - - </body> -</html> |