summaryrefslogtreecommitdiff
path: root/vignettes/KinGUI/C_FOMC_report_detailed.txt
blob: f19484c57a067e6f0c28830a39ceae38215d0bc9 (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
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_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:    2.2749       NaN    2.2749
            Chi2Sigma:    1.5704       NaN    1.5704
             Chi2Err%:    6.6572       NaN    6.6572

# ---------------------------------
# Parameter estimation
# ---------------------------------

   Degrees of Freedom:         6
    Parameter   Estimate   Lower CI   Upper CI     St.Dev   Prob > t
 Parent_alpha     1.0540     0.6398     1.4681     0.1693   4.0e-004
  Parent_beta     1.9192     0.6033     3.2352     0.5378     0.0059
   Parent_FFS     1.0000
  Parent_M(0)    85.8774    80.3817    91.3731     2.2460
    Sink_M(0)     0.0000

# ---------------------------------
# DT50 and DT90 values
# ---------------------------------
                       Parent         Sink
           DT50:       1.7854          NaN
           DT90:      15.1385          NaN
  Kinetic model:         fomc         sink

# ---------------------------------
# Additional Statistics
# ---------------------------------
# Correlation and R-square of predicted vs. measured data
               Parent       Sink       All
       EF:     0.9955        NaN     0.9955
 R-square:     0.9959        NaN     0.9959

# Correlation matrix of parameters
              Parent_alpha  Parent_beta     Parent_M
 Parent_alpha       1.0000       0.9547      -0.2034
  Parent_beta       0.9547       1.0000      -0.3624
     Parent_M      -0.2034      -0.3624       1.0000

# ---------------------------------
# Measured vs. predicted values
# ---------------------------------
   Time            Compartment Parent              Compartment Sink
         measured predicted  residual  measured predicted  residual
    0.0   85.1000   85.8774   -0.7774       NaN    0.0000       NaN
    1.0   57.9000   55.1960    2.7040       NaN   30.6813       NaN
    3.0   29.9000   31.8455   -1.9455       NaN   54.0318       NaN
    7.0   14.6000   17.0087   -2.4087       NaN   68.8687       NaN
   14.0    9.7000    9.2363    0.4637       NaN   76.6411       NaN
   28.0    6.6000    4.7498    1.8502       NaN   81.1275       NaN
   63.0    4.0000    2.0994    1.9006       NaN   83.7779       NaN
   91.0    3.9000    1.4387    2.4613       NaN   84.4387       NaN
  119.0    0.6000    1.0899   -0.4899       NaN   84.7874       NaN

Contact - Imprint