blob: b26c063bff191eb4f405c1936a75707b12862f79 (
plain) (
blame)
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
|
Project:
Testsystem:
Comment: NA
KinGUI Version: 1.1
Input Data: C:\Documents and Settings\jranke\My Documents\R\mkin.BerliOS\R_packages\kinfit\trunk\inst\doc\KinGUI\C_KinGUI.txt
# =================================
# Results of the kinetic evaluation
# =================================
# ---------------------------------
# Initial values
# ---------------------------------
Initial Value Lower Bound Upper Bound
Parent_M(0): 100.0000 0.0000 Inf
Parent_k1: 0.1000 0.0000 Inf
Parent_k2: 0.0100 0.0000 Inf
Parent_g: 0.5000 0.0000 Inf
Sink_M(0): 0.0000 0.0000 Inf
# ---------------------------------
# Chi2 error estimation
# ---------------------------------
Parent Sink All
Number of data sets: 9 0 9
Number of parameters: 4 0 4
Degrees of Freedom: 5 0 5
Parent Sink All
RMSE: 0.9341 NaN 0.9341
Chi2Sigma: 0.6278 NaN 0.6278
Chi2Err%: 2.6613 NaN 2.6613
# ---------------------------------
# Parameter estimation
# ---------------------------------
Degrees of Freedom: 5
Parameter Estimate Lower CI Upper CI St.Dev Prob > t
Parent_k1 0.4594 0.4071 0.5117 0.0204 1.6e-006
Parent_k2 0.0178 0.0100 0.0256 0.0030 0.0010
Parent_g 0.8540 0.8194 0.8885 0.0134 9.1e-009
Parent_FFS 1.0000
Parent_M(0) 84.9867 82.6972 87.2762 0.8907
Sink_M(0) 0.0000
# ---------------------------------
# DT50 and DT90 values
# ---------------------------------
Parent Sink
DT50: 1.8876 NaN
DT90: 21.2511 NaN
Kinetic model: dfop sink
# ---------------------------------
# Additional Statistics
# ---------------------------------
# Correlation and R-square of predicted vs. measured data
Parent Sink All
EF: 0.9994 NaN 0.9994
R-square: 0.9994 NaN 0.9994
# Correlation matrix of parameters
Parent_k1 Parent_k2 Parent_g Parent_M
Parent_k1 1.0000 0.4657 -0.6601 0.4339
Parent_k2 0.4657 1.0000 -0.7418 0.0793
Parent_g -0.6601 -0.7418 1.0000 -0.0190
Parent_M 0.4339 0.0793 -0.0190 1.0000
# ---------------------------------
# Measured vs. predicted values
# ---------------------------------
Time Compartment Parent Compartment Sink
measured predicted residual measured predicted residual
0.0 85.1000 84.9867 0.1133 NaN 0.0000 NaN
1.0 57.9000 58.0356 -0.1356 NaN 26.9512 NaN
3.0 29.9000 30.0560 -0.1560 NaN 54.9308 NaN
7.0 14.6000 13.8653 0.7347 NaN 71.1214 NaN
14.0 9.7000 9.7841 -0.0841 NaN 75.2026 NaN
28.0 6.6000 7.5314 -0.9314 NaN 77.4553 NaN
63.0 4.0000 4.0343 -0.0343 NaN 80.9524 NaN
91.0 3.9000 2.4485 1.4515 NaN 82.5382 NaN
119.0 0.6000 1.4860 -0.8860 NaN 83.5007 NaN
|