From e18ea5ffeac34aa260e6fb1f7bd805fbbb57f1e6 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Wed, 6 Sep 2017 15:12:26 +0200 Subject: Adapt the IRLS instructions to current version --- README.html | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) (limited to 'README.html') diff --git a/README.html b/README.html index 5b71be5f..3dfcbb40 100644 --- a/README.html +++ b/README.html @@ -121,7 +121,7 @@ $(document).ready(function () {

mkin

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The R package mkin provides calculation routines for the analysis of chemical degradation data, including multicompartment kinetics as needed for modelling the formation and decline of transformation products, or if several compartments are involved.

Installation

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  • The usual one-sided t-test for significant difference from zero is nevertheless shown based on estimators for the untransformed parameters.
  • Summary and plotting functions. The summary of an mkinfit object is in fact a full report that should give enough information to be able to approximately reproduce the fit with other tools.
  • The chi-squared error level as defined in the FOCUS kinetics guidance (see below) is calculated for each observed variable.
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  • Iteratively reweighted least squares fitting is implemented in a similar way as in KinGUII and CAKE (see below). Simply add the argument reweight = "obs" to your call to mkinfit 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.
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  • Iteratively reweighted least squares fitting is implemented in a similar way as in KinGUII and CAKE (see below). Simply add the argument reweight.method = "obs" to your call to mkinfit 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.
  • When a metabolite decline phase is not described well by SFO kinetics, SFORB kinetics can be used for the metabolite.
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