blob: 9cc5aeebe41b45464218de840d0d83d6be24927b (
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
|
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\A_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_tb: 3.0000 0.0000 Inf
Sink_M(0): 0.0000 0.0000 Inf
# ---------------------------------
# Chi2 error estimation
# ---------------------------------
Parent Sink All
Number of data sets: 8 0 8
Number of parameters: 4 0 4
Degrees of Freedom: 4 0 4
Parent Sink All
RMSE: 3.1728 NaN 3.1728
Chi2Sigma: 2.0601 NaN 2.0601
Chi2Err%: 4.1158 NaN 4.1158
# ---------------------------------
# Parameter estimation
# ---------------------------------
Degrees of Freedom: 4
Parameter Estimate Lower CI Upper CI St.Dev Prob > t
Parent_k1 0.0049 -0.0365 0.0464 0.0149 0.3785
Parent_k2 0.0461 0.0357 0.0565 0.0037 1.2e-004
Parent_tb 5.7617 -0.4681 11.9916 2.2438 0.0311
Parent_FFS 1.0000
Parent_M(0) 100.9820 92.1729 109.7910 3.1728
Sink_M(0) 0.0000
# ---------------------------------
# DT50 and DT90 values
# ---------------------------------
Parent Sink
DT50: 20.1783 NaN
DT90: 55.0878 NaN
Kinetic model: hs sink
# ---------------------------------
# Additional Statistics
# ---------------------------------
# Correlation and R-square of predicted vs. measured data
Parent Sink All
EF: 0.9972 NaN 0.9972
R-square: 0.9973 NaN 0.9973
# Correlation matrix of parameters
Parent_k1 Parent_k2 Parent_tb Parent_M
Parent_k1 1.0000 0.0024 0.8460 0.7018
Parent_k2 0.0024 1.0000 0.2691 0.0013
Parent_tb 0.8460 0.2691 1.0000 0.3820
Parent_M 0.7018 0.0013 0.3820 1.0000
# ---------------------------------
# Measured vs. predicted values
# ---------------------------------
Time Compartment Parent Compartment Sink
measured predicted residual measured predicted residual
0.0 101.2400 100.9820 0.2580 NaN 0.0000 NaN
3.0 99.2700 99.4947 -0.2247 NaN 1.4873 NaN
7.0 90.1100 92.6989 -2.5889 NaN 8.2831 NaN
14.0 72.1900 67.1302 5.0598 NaN 33.8518 NaN
30.0 29.7100 32.1041 -2.3941 NaN 68.8779 NaN
62.0 5.9800 7.3425 -1.3625 NaN 93.6394 NaN
90.0 1.5400 2.0194 -0.4794 NaN 98.9626 NaN
118.0 0.3900 0.5554 -0.1654 NaN 100.4266 NaN
|
