From 1c81442284a25a9cf4979d9236ec0c1a1cf8a8dd Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Sat, 22 Oct 2016 17:55:12 +0200 Subject: Update way to specify encoding, improve FOCUS_L TOC --- vignettes/FOCUS_D.html | 29 +++++++++++++---------------- 1 file changed, 13 insertions(+), 16 deletions(-) (limited to 'vignettes/FOCUS_D.html') diff --git a/vignettes/FOCUS_D.html b/vignettes/FOCUS_D.html index af9b2e9f..743ec52b 100644 --- a/vignettes/FOCUS_D.html +++ b/vignettes/FOCUS_D.html @@ -11,13 +11,13 @@ - + Example evaluation of FOCUS Example Dataset D - + @@ -95,6 +95,7 @@ button.code-folding-btn:focus { +
@@ -118,19 +119,14 @@ $(document).ready(function () {

Example evaluation of FOCUS Example Dataset D

Johannes Ranke

-

2016-09-28

+

2016-10-22

This is just a very simple vignette showing how to fit a degradation model for a parent compound with one transformation product using mkin. After loading the library we look a the data. We have observed concentrations in the column named value at the times specified in column time for the two observed variables named parent and m1.

-
library("mkin")
-
## Loading required package: minpack.lm
-
## Loading required package: rootSolve
-
## Loading required package: inline
-
## Loading required package: methods
-
## Loading required package: parallel
-
print(FOCUS_2006_D)
+
library("mkin")
+print(FOCUS_2006_D)
##      name time  value
 ## 1  parent    0  99.46
 ## 2  parent    0 102.04
@@ -189,16 +185,16 @@ $(document).ready(function () {
 
fit <- mkinfit(SFO_SFO, FOCUS_2006_D, quiet = TRUE)

 
A plot of the fit including a residual plot for both observed variables is obtained using the plot method for mkinfit objects.

 
plot(fit, show_residuals = TRUE)

-

+

 
Confidence intervals for the parameter estimates are obtained using the mkinparplot function.

 
mkinparplot(fit)

-

+

 
A comprehensive report of the results is obtained using the summary method for mkinfit objects.

 
summary(fit)

-
## mkin version:    0.9.44.9000 
+
## mkin version:    0.9.44 
 ## R version:       3.3.1 
-## Date of fit:     Wed Sep 28 08:12:47 2016 
-## Date of summary: Wed Sep 28 08:12:48 2016 
+## Date of fit:     Sat Oct 22 17:45:21 2016 
+## Date of summary: Sat Oct 22 17:45:21 2016 
 ## 
 ## Equations:
 ## d_parent = - k_parent_sink * parent - k_parent_m1 * parent
@@ -206,7 +202,7 @@ $(document).ready(function () {
 ## 
 ## Model predictions using solution type deSolve 
 ## 
-## Fitted with method Port using 153 model solutions performed in 0.641 s
+## Fitted with method Port using 153 model solutions performed in 0.663 s
 ## 
 ## Weighting: none
 ## 
@@ -330,6 +326,7 @@ $(document).ready(function () {
   $('tr.header').parent('thead').parent('table').addClass('table table-condensed');
 });
 
+
 
 
 
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