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authorJohannes Ranke <jranke@uni-bremen.de>2017-09-06 15:12:26 +0200
committerJohannes Ranke <jranke@uni-bremen.de>2017-09-06 15:12:26 +0200
commite18ea5ffeac34aa260e6fb1f7bd805fbbb57f1e6 (patch)
treeac2d11dcfa02b1cdb2c400e9bf07e80146bb51a3 /README.html
parent2218c64869a37927b793b88da77c4c90c9307535 (diff)
Adapt the IRLS instructions to current version
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1 files changed, 2 insertions, 2 deletions
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@@ -121,7 +121,7 @@ $(document).ready(function () {
<div id="mkin" class="section level1">
<h1>mkin</h1>
-<p><a href="https://cran.r-project.org/package=mkin"><img src="data:image/svg+xml; charset=utf-8;base64,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" /></a></p>
+<p><a href="https://cran.r-project.org/package=mkin"><img src="data:image/svg+xml; charset=utf-8;base64,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" /></a></p>
<p>The R package <strong>mkin</strong> provides calculation routines for the analysis of chemical degradation data, including <b>m</b>ulticompartment <b>kin</b>etics as needed for modelling the formation and decline of transformation products, or if several compartments are involved.</p>
<div id="installation" class="section level2">
<h2>Installation</h2>
@@ -153,7 +153,7 @@ $(document).ready(function () {
<li>The usual one-sided t-test for significant difference from zero is nevertheless shown based on estimators for the untransformed parameters.</li>
<li>Summary and plotting functions. The <code>summary</code> of an <code>mkinfit</code> object is in fact a full report that should give enough information to be able to approximately reproduce the fit with other tools.</li>
<li>The chi-squared error level as defined in the FOCUS kinetics guidance (see below) is calculated for each observed variable.</li>
-<li>Iteratively reweighted least squares fitting is implemented in a similar way as in KinGUII and CAKE (see below). Simply add the argument <code>reweight = &quot;obs&quot;</code> to your call to <code>mkinfit</code> and a separate variance componenent for each of the observed variables will be optimised in a second stage after the primary optimisation algorithm has converged.</li>
+<li>Iteratively reweighted least squares fitting is implemented in a similar way as in KinGUII and CAKE (see below). Simply add the argument <code>reweight.method = &quot;obs&quot;</code> to your call to <code>mkinfit</code> and a separate variance componenent for each of the observed variables will be optimised in a second stage after the primary optimisation algorithm has converged.</li>
<li>When a metabolite decline phase is not described well by SFO kinetics, SFORB kinetics can be used for the metabolite.</li>
</ul>
</div>

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