Creates a report of the kinetic fits

Usage

kinreport(kinobject, file = NA, data = TRUE, R2 = FALSE,  vcov = FALSE, endpoint.digits = 1)

Arguments

kinobject
A list containing the following elements: The name of the parent compound to be output (parent), the type of the test system (type), the name of the specific test system used for generating this dataset (system), the input dataset (data), the list of fitted kinetic models (fits), as returned by kinfit, and the list of results (results) as returned by kinresults. Optionally also the label position of the test compound (label) and the source of the data (source).
file
The name of the file to which to write.
data
Boolean specifying if the input data should be printed?
R2
Boolean specifying if the coefficient of determination R2 should be printed. R2 is calculated from all values (not mean values) as 1 - RSS/TSS where RSS is the sum of squares of residuals, and TSS ist the total sum of squares, i.e. the sum of squares of the difference of each observation from the overall mean.
vcov
Should the variance-covariance matrix/matrices be reported?
endpoint.digits
How many digits should be reported for DT50 and DT90 values?

Description

Function to create a report for a set of fitted models, passing it to the console as well as to a file, if specified.

Value

The function is called for its side effect, namely the report being passed to the R console as well as to a text file if a filename is specified.

Examples

data(FOCUS_2006_A)
kinfits <- kinfit(FOCUS_2006_A)
kinobject <- list(
parent = "Compound XY",
type = "Degradation in the environment",
system = "System 1",
data = FOCUS_2006_A,
source = "Synthetic example data from FOCUS kinetics",
fits = kinfits,
results = kinresults(kinfits))
kinreport(kinobject)

Parent compound:  Compound XY
Study type:       Degradation in the environment
System:           System 1
Source:           Synthetic example data from FOCUS kinetics
kinfit version:   1.1.14
R version:        3.2.1
Report generated: Fri Jul  3 15:03:02 2015

Data:
t parent
1   0 101.24
2   3  99.27
3   7  90.11
4  14  72.19
5  30  29.71
6  62   5.98
7  90   1.54
8 118   0.39

---
Nonlinear least squares fit of the SFO model

Parameter estimation:
Estimate Std. Error t value   Pr(>t)
parent.0 109.1531    4.39069   24.86 1.39e-07
k          0.0372    0.00429    8.68 6.46e-05

Chi2 error estimation: 8.38 %

---
Endpoint estimates

DT50 DT90
SFO 18.6 61.9


Johannes Ranke