Main functionsEssential functionality |
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Function to set up a kinetic model with one or more state variables |
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Fit a kinetic model to data with one or more state variables |
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Fit one or more kinetic models with one or more state variables to one or more datasets |
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Evaluate parent kinetics using the NAFTA guidance |
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Show resultsFunctions working with mkinfit objects |
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Plot the observed data and the fitted model of an mkinfit object |
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Summary method for class "mkinfit" |
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Function to plot residuals stored in an mkin object |
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Function to plot the confidence intervals obtained using mkinfit |
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Function to plot squared residuals and the error model for an mkin object |
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Function to calculate endpoints for further use from kinetic models fitted with mkinfit |
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Calculate the minimum error to assume in order to pass the variance test |
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Calculated the log-likelihood of a fitted mkinfit object |
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Work with mmkin objectsFunctions working with aggregated results |
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Subsetting method for mmkin objects |
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Plot model fits (observed and fitted) and the residuals for a row or column of an mmkin object |
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Calculated the AIC for a column of an mmkin object |
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Datasets and known results |
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Datasets A to F from the FOCUS Kinetics report from 2006 |
Results of fitting the SFO model to Datasets A to F of FOCUS (2006) |
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Results of fitting the FOMC model to Datasets A to F of FOCUS (2006) |
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Results of fitting the HS model to Datasets A to F of FOCUS (2006) |
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Results of fitting the DFOP model to Datasets A to B of FOCUS (2006) |
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Example datasets from the NAFTA SOP published 2015 |
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Example datasets from Attachment 1 to the NAFTA SOP published 2015 |
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Datasets on aerobic soil metabolism of 2,4,5-T in six soils |
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Metabolism data set used for checking the software quality of KinGUI |
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Synthetic datasets for one parent compound with two metabolites |
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Experimental datasets used for development and testing of error models |
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Three experimental datasets from two water sediment systems and one soil |
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A dataset class for mkin |
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Print mkinds objects |
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NAFTA guidance |
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Evaluate parent kinetics using the NAFTA guidance |
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Print nafta objects |
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Plot the results of the three models used in the NAFTA scheme. The plots are ordered with increasing complexity of the model in this function (SFO, then IORE, then DFOP). |
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Helper functions |
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Calculate the geometric mean |
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Function to set up a kinetic submodel for one state variable |
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Function to calculate maximum time weighted average concentrations from kinetic models fitted with mkinfit |
Produce predictions from a kinetic model using specific parameters |
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Convert a dataframe with observations over time into long format |
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Convert a dataframe from long to wide format |
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Print mkinmod objects |
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Functions to transform and backtransform kinetic parameters for fitting |
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Function to perform isometric log-ratio transformation |
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Two component error model |
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Export a list of datasets format to a CAKE study file |
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Analytical solutionsParent only model solutions |
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Single First-Order kinetics |
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First-Order Multi-Compartment kinetics |
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Double First-Order in Parallel kinetics |
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Single First-Order Reversible Binding kinetics |
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Hockey-Stick kinetics |
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Indeterminate order rate equation kinetics |
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Logistic kinetics |
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Generate synthetic datasets |
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Add normally distributed errors to simulated kinetic degradation data |
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Deprecated functionsFunctions that have been superseded |
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Plot the observed data and the fitted model of an mkinfit object |