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kinfit (version 1.1.14)

Routines for Fitting Kinetic Models to Chemical Degradation Data

Description

The FOCUS Kinetics Report first published in 2006 describes mathematical models and recommends statistical methods for the evaluation of chemical degradation data. This package implements fitting the kinetic models suitable for observations of the decline of a single chemical compound (no metabolite formation/decline or multi-compartment kinetics). Please note that no warranty is implied for correctness of results or fitness for a particular purpose. 'kinfit' is maintained, but not actively developed at the moment. Please check the 'mkin' package for an actively developed package for kinetic evaluations of degradation data.

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Version

Install

install.packages('kinfit')

Monthly Downloads

51

Version

1.1.14

License

GPL

Maintainer

Johannes Ranke

Last Published

July 4th, 2015

Functions in kinfit (1.1.14)

FOMC

First-Order Multi-Compartment kinetics
FOCUS_2006_FOMC_ref_A_to_F

Results of fitting the FOMC model to Datasets A to F of FOCUS (2006)
FOCUS_2006_A

Dataset A from the FOCUS Kinetics report from 2006
FOCUS_2006_E

Dataset E from the FOCUS Kinetics report from 2006
FOCUS_2006_B

Dataset B from the FOCUS Kinetics report from 2006
kinerrmin

Calculate the minimum error to assume in order to pass the variance test
FOCUS_2006_SFO_ref_A_to_F

Results of fitting the SFO model to Datasets A to F of FOCUS (2006)
FOCUS_2006_F

Water sediment study dataset F from the FOCUS Kinetics report from 2006
FOCUS_2006_DFOP_ref_A_to_B

Results of fitting the DFOP model to Datasets A to B of FOCUS (2006)
FOCUS_2006_HS_ref_A_to_F

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

Creates list of objects, each representing a kinetic experiment or trial
HS

Hockey-Stick kinetics
FOCUS_2006_D

Dataset D from the FOCUS Kinetics report from 2006
kinfit

Fit kinetic models to chemical degradation data
kinresults

Function to collect useful results for a set of fitted kinetic models
kinobject

Creates list representing a kinetic experiment or trial
SFO

Single First-Order kinetics
kinplot

Creates a plot of the kinetic fits
kinresplot

Creates a plot of the residual for specified kinetic fits
DFOP

Double First-Order in Parallel kinetics
kinreport

Creates a report of the kinetic fits
kinwrite.KinGUI

Function to write KinGUI input files from kinetic data
FOCUS_2006_C

Dataset C from the FOCUS Kinetics report from 2006