blob: a3ff6ccbf109e5990a4e3d0ad85e114c05236a9a (
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
88
89
90
91
92
93
94
95
96
97
|
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\D_KinGUI.txt
# =================================
# Results of the kinetic evaluation
# =================================
# ---------------------------------
# Initial values
# ---------------------------------
Initial Value Lower Bound Upper Bound
Parent_M(0): 100.0000 0.0000 Inf
Parent_alpha: 1.0000 0.0000 Inf
Parent_beta: 10.0000 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: 3 0 3
Degrees of Freedom: 6 0 6
Parent Sink All
RMSE: 3.8927 NaN 3.8927
Chi2Sigma: 2.6871 NaN 2.6871
Chi2Err%: 6.7989 NaN 6.7989
# ---------------------------------
# Parameter estimation
# ---------------------------------
Degrees of Freedom: 15
Parameter Estimate Lower CI Upper CI St.Dev Prob > t
Parent_alpha 11.4924 -23.1706 46.1555 16.2627 0.2453
Parent_beta 109.9914 -242.4545 462.4373 165.3550 0.2580
Parent_FFS 1.0000
Parent_M(0) 100.1262 95.6389 104.6136 2.1053
Sink_M(0) 0.0000
# ---------------------------------
# DT50 and DT90 values
# ---------------------------------
Parent Sink
DT50: 6.8381 NaN
DT90: 24.4003 NaN
Kinetic model: fomc sink
# ---------------------------------
# Additional Statistics
# ---------------------------------
# Correlation and R-square of predicted vs. measured data
Parent Sink All
EF: 0.9920 NaN 0.9920
R-square: 0.9921 NaN 0.9921
# Correlation matrix of parameters
Parent_alpha Parent_beta Parent_M
Parent_alpha 1.0000 0.9994 -0.4135
Parent_beta 0.9994 1.0000 -0.4306
Parent_M -0.4135 -0.4306 1.0000
# ---------------------------------
# Measured vs. predicted values
# ---------------------------------
Time Compartment Parent Compartment Sink
measured predicted residual measured predicted residual
0.0 99.4600 100.1262 -0.6662 NaN 0.0000 NaN
0.0 102.0400 100.1262 1.9138 NaN 0.0000 NaN
1.0 93.5000 90.2352 3.2648 NaN 9.8911 NaN
1.0 92.5000 90.2352 2.2648 NaN 9.8911 NaN
3.0 63.2300 73.4920 -10.2620 NaN 26.6343 NaN
3.0 68.9900 73.4920 -4.5020 NaN 26.6343 NaN
7.0 52.3200 49.2726 3.0474 NaN 50.8536 NaN
7.0 55.1300 49.2726 5.8574 NaN 50.8536 NaN
14.0 27.2700 25.2676 2.0024 NaN 74.8586 NaN
14.0 26.6400 25.2676 1.3724 NaN 74.8586 NaN
21.0 11.5000 13.4417 -1.9417 NaN 86.6845 NaN
21.0 11.6400 13.4417 -1.8017 NaN 86.6845 NaN
35.0 2.8500 4.1845 -1.3345 NaN 95.9417 NaN
35.0 2.9100 4.1845 -1.2745 NaN 95.9417 NaN
50.0 0.6900 1.3499 -0.6599 NaN 98.7764 NaN
50.0 0.6300 1.3499 -0.7199 NaN 98.7764 NaN
75.0 0.0500 0.2545 -0.2045 NaN 99.8718 NaN
75.0 0.0600 0.2545 -0.1945 NaN 99.8718 NaN
100.0 NaN 0.0593 NaN NaN 100.0670 NaN
100.0 NaN 0.0593 NaN NaN 100.0670 NaN
120.0 NaN 0.0208 NaN NaN 100.1054 NaN
120.0 NaN 0.0208 NaN NaN 100.1054 NaN
|