large grid:
grid
1.00
! grid spacing
dime 81 81
81
! grid dimension
gcenter 9.0 5.0 26.0 !11
focus grid:
grid
0.25
! spacing for focused grid
dime 109 109
109
! grid dimension
gcenter 9.0 5.0 26.0 !11
Data file :
/home/henricsn/combine2go/data/urokinase/prep-anal/model/model5_xray_medium/golpe3/no-dbl.dat
Comment : Extraction from output.dat
Number of variables = 500
Number of experiments = 30
Number of X-variables = 492 , Y-variables = 1
Loading :
1
A19.0
4
A21.0
5
A20.0
6
A25.0
8
A26.0
9
A28.0
11
A12.0
12
A22.0
13
A13.0
14
A18.0
15
A16.0
18
A24.0
19
A14.0
21
A23.0
22
A15.0
23
A04.0
25
A17.0
26
A32.0
27
A33.0
28
A34.0
29
A35.0
30
A36.0
31
A37.0
32
A41.0
33
A29.0
34
A30.0
35
A31.0
36
A38.0
37
A40.0
38
A39.0
Active X-variables (SS 1.0E-7) = 219
Active Y-variables (SS 1.0E-7) = 1
Active X-variables after PRETREATMENT = 219
Active Y-variables after PRETREATMENT = 1
Principal Component Analysis (PCA) 30
objects 219 X-var
components
XVarExp XAccum
1
44.5509 44.5509
2
18.0156 62.5665
3
10.5759 73.1424
4
6.0763 79.2187
5
3.8631 83.0818
6
2.9222 86.0039
7
2.4288 88.4328
8
2.4777 90.9105
9
1.6271 92.5376
10
1.0973 93.6349
PCA Rank Validation - using 4 random groups
components
PRESS
Seps R
1
6.5794e+02 1.0183e+03
0.6461
2
4.8940e+02 5.4405e+02
0.8995
3
3.8844e+02 3.5345e+02
1.0990
4
2.3864e+02 2.4370e+02
0.9792
5
2.8486e+02 1.8094e+02
1.5743
6
2.9393e+02 1.4113e+02
2.0828
7
2.1363e+02 1.1166e+02
1.9133
8
9.4669e+01 8.8085e+01
1.0747
9
6.6383e+01 6.5935e+01
1.0068
10
5.6776e+01 5.1447e+01
1.1036
Partial Least Squares
(PLS) 30 objects 219
X-var 1 Y-var
Y1 components
XVarExp XAccum
SDEC r2
0
0.0000 0.0000
1.5680 0.0000
1
36.9431 36.9431
1.3593 0.2485
2
16.4404 53.3835
1.1309 0.4798
3
1.4604 54.8439
0.7904 0.7459
4
10.4223 65.2662
0.7255 0.7859
5
14.0271 79.2933
0.6894 0.8067
6
1.8627 81.1559
0.6014 0.8529
7
0.7131 81.8690
0.5166 0.8915
8
2.4333 84.3023
0.4678 0.9110
9
2.0422 86.3445
0.4055 0.9331
10
2.7996 89.1441
0.3664 0.9454
PLS Model Validation - LOO
Y1 components
SDEP
SDEV(sdep) q2
0
1.6221
- -0.0702
1
1.6011
- -0.0427
2
1.6136
- -0.0590
3
1.5800
- -0.0154
4
1.5398
- 0.0357
5
1.4043
- 0.1979
6
1.3054
- 0.3069
7
1.4157
- 0.1849
8
1.4011
- 0.2015
9
1.4636
- 0.1287
10
1.5722
- -0.0053
Active X-variables after PRETREATMENT = 219
Active Y-variables after PRETREATMENT = 1
Deleted unselected vars. (D-Optimal)
1 : 219 - 109 Comp.=6 , Mon Nov 21
10:39:55 2005
Active X-variables after VAR. SELECT. = 109
*** FFD Variable Selection Started ***
Max. dimensionality : 6
Validation Mode : LOO
Recalculate weights : yes
Comb./Var. ratio : 2.0
Use groups :
Uncertains :
Retain
Fold-over design : no
perc. of dummies : 20
Deleted unselected vars. (F.Factorial)
1 : 109 - 91 Comp.=6 , Mon Nov
21 10:40:38 2005
Active X-variables after VAR. SELECT. = 91
Principal Component Analysis (PCA) 30
objects 91 X-var
components
XVarExp XAccum
1
47.9547 47.9547
2
17.5611 65.5158
3
10.9460 76.4619
4
6.8552 83.3170
5
5.0156 88.3326
6
3.1595 91.4922
7
2.0971 93.5892
8
1.3255 94.9147
PCA Rank Validation - using 4 random groups
components
PRESS
Seps R
1
3.9701e+02 5.5792e+02
0.7116
2
7.7708e+02 2.7979e+02
2.7774
3
1.9582e+02 1.7840e+02
1.0977
4
1.3645e+02 1.1702e+02
1.1660
5
6.8807e+01 7.9587e+01
0.8645
6
4.3934e+01 5.3324e+01
0.8239
7
3.4380e+01 3.7187e+01
0.9245
8
2.6105e+01 2.6747e+01
0.9760
9
2.2914e+01 2.0211e+01
1.1337
10
1.1932e+02 1.5151e+01
7.8758
Partial Least Squares
(PLS) 30 objects 91
X-var 1 Y-var
Y1 components
XVarExp XAccum
SDEC r2
0
0.0000 0.0000
1.5680 0.0000
1
35.2528 35.2528
1.2832 0.3302
2
28.1224 63.3752
1.1075 0.5011
3
5.9230 69.2982
0.8107 0.7327
4
7.7723 77.0705
0.6892 0.8068
5
6.7558 83.8263
0.6400 0.8334
6
3.1826 87.0089
0.6006 0.8533
7
1.7142 88.7232
0.5773 0.8644
8
4.1391 92.8622
0.5532 0.8755
PLS Model Validation - LOO
Y1 components
SDEP
SDEV(sdep) q2
0
1.6221
- -0.0702
1
1.5321
- 0.0452
2
1.4942
- 0.0919
3
1.2965
- 0.3163
4
1.1031
- 0.5051
5
0.9868
- 0.6040
6
0.9279
- 0.6498
7
1.0435
- 0.5571
8
1.2065
- 0.4079
9
1.5642
- 0.0048
10
1.7842
- -0.2947
External PLS predictions for
/home/henricsn/combine2go/data/urokinase/prep-anal/model/model5_xray_medium/golpe3/output.dat
1
A19.0
Exper: -9.105 Pred:( 1 )
-7.837 ( 2 ) -7.363 ( 3 )
-6.867 ( 4 ) -7.131 ( 5 )
-7.083 ( 6 ) -7.185 ( 7 )
-7.393 ( 8 ) -7.541
2
A19.1
Exper: -9.105 Pred:( 1 )
-7.842 ( 2 ) -7.344 ( 3 )
-6.797 ( 4 ) -7.041 ( 5 )
-7.005 ( 6 ) -7.137 ( 7 )
-7.358 ( 8 ) -7.509
3
A21.1
Exper: -5.727 Pred:( 1 )
-7.811 ( 2 ) -7.331 ( 3 )
-6.667 ( 4 ) -6.868 ( 5 )
-6.932 ( 6 ) -7.072 ( 7 )
-7.068 ( 8 ) -7.054
4
A21.0
Exper: -5.727 Pred:( 1 )
-7.691 ( 2 ) -7.189 ( 3 )
-6.439 ( 4 ) -6.587 ( 5 )
-6.628 ( 6 ) -6.759 ( 7 )
-6.838 ( 8 ) -6.936
5
A20.0
Exper: -7.228 Pred:( 1 )
-7.481 ( 2 ) -7.07 ( 3 )
-6.439 ( 4 ) -6.838 ( 5 )
-7.014 ( 6 ) -7.169 ( 7 )
-7.078 ( 8 ) -7.129
6
A25.0
Exper: -7.662 Pred:( 1 )
-8.486 ( 2 ) -8.429 ( 3 )
-8.657 ( 4 ) -7.949 ( 5 )
-7.729 ( 6 ) -8.076 ( 7 )
-7.716 ( 8 ) -7.26
7
A20.1
Exper: -7.228 Pred:( 1 )
-7.488 ( 2 ) -7.022 ( 3 )
-6.324 ( 4 ) -6.629 ( 5 )
-6.811 ( 6 ) -7.055 ( 7 )
-7.054 ( 8 ) -7.186
8
A26.0
Exper: -7.193 Pred:( 1 )
-7.794 ( 2 ) -7.299 ( 3 )
-6.823 ( 4 ) -7.02 ( 5 )
-6.879 ( 6 ) -6.915 ( 7 )
-7.061 ( 8 ) -7.209
9
A28.0
Exper: -8.445 Pred:( 1 )
-10.84 ( 2 ) -10.99 ( 3 )
-8.986 ( 4 ) -8.255 ( 5 )
-8.037 ( 6 ) -7.856 ( 7 )
-8.289 ( 8 ) -8.165
10
A27.0
Exper: +8.889e+05 Pred:( 1 ) -7.175 ( 2 )
-6.682 ( 3 ) -6.234 ( 4 )
-5.924 ( 5 ) -5.727 ( 6 )
-5.666 ( 7 ) -5.946 ( 8 )
-6.402
11
A12.0
Exper: -6.886 Pred:( 1 )
-7.719 ( 2 ) -7.649 ( 3 )
-7.268 ( 4 ) -6.988 ( 5 )
-6.86 ( 6 ) -6.727 ( 7 )
-6.702 ( 8 ) -6.968
12
A22.0
Exper: -6.147 Pred:( 1 )
-7.905 ( 2 ) -7.714 ( 3 )
-7.301 ( 4 ) -7.556 ( 5 )
-7.543 ( 6 ) -7.43 ( 7 )
-7.3 ( 8 ) -7.196
13
A13.0
Exper: -7.12 Pred:( 1 )
-7.637 ( 2 ) -7.531 ( 3 )
-7.092 ( 4 ) -6.817 ( 5 )
-6.616 ( 6 ) -6.457 ( 7 )
-6.286 ( 8 ) -6.476
14
A18.0
Exper: -10.75 Pred:( 1 )
-8.927 ( 2 ) -9.159 ( 3 )
-9.763 ( 4 ) -9.699 ( 5 )
-10 ( 6 ) -10.59
( 7 ) -10.79 ( 8 ) -10.71
15
A16.0
Exper: -9.488 Pred:( 1 )
-8.251 ( 2 ) -8.685 ( 3 )
-9.683 ( 4 ) -9.241 ( 5 )
-9.235 ( 6 ) -9.394 ( 7 )
-9.521 ( 8 ) -9.683
16
A42.0
Exper: +8.889e+05 Pred:( 1 ) -8.294 ( 2 )
-8.038 ( 3 ) -8.966 ( 4 )
-8.812 ( 5 ) -8.84 ( 6 )
-10.19 ( 7 ) -10.37 ( 8 )
-10.29
17
A42.1
Exper: +8.889e+05 Pred:( 1 ) -8.353 ( 2 )
-8.118 ( 3 ) -8.689 ( 4 )
-8.562 ( 5 ) -8.624 ( 6 )
-9.79 ( 7 ) -9.909 ( 8 )
-9.777
18
A24.0
Exper: -7.39 Pred:( 1 )
-8.423 ( 2 ) -8.411 ( 3 )
-8.085 ( 4 ) -7.961 ( 5 )
-7.882 ( 6 ) -7.661 ( 7 )
-7.54 ( 8 ) -7.441
19
A14.0
Exper: -8.654 Pred:( 1 )
-8.554 ( 2 ) -9.085 ( 3 )
-9.712 ( 4 ) -9.24 ( 5 )
-9.295 ( 6 ) -9.082 ( 7 )
-9.072 ( 8 ) -9.131
20
A14.1
Exper: -8.654 Pred:( 1 )
-8.496 ( 2 ) -9.002 ( 3 )
-9.607 ( 4 ) -9.137 ( 5 )
-9.177 ( 6 ) -8.985 ( 7 )
-8.937 ( 8 ) -8.975
21
A23.0
Exper: -7.12 Pred:( 1 )
-8.446 ( 2 ) -8.241 ( 3 )
-7.911 ( 4 ) -7.365 ( 5 )
-7.143 ( 6 ) -7.322 ( 7 )
-7.365 ( 8 ) -7.266
22
A15.0
Exper: -9.077 Pred:( 1 )
-8.422 ( 2 ) -8.963 ( 3 )
-9.763 ( 4 ) -9.283 ( 5 )
-9.268 ( 6 ) -9.063 ( 7 )
-8.942 ( 8 ) -8.923
23
A04.0
Exper: -9.739 Pred:( 1 )
-8.582 ( 2 ) -9.195 ( 3 )
-9.99 ( 4 ) -9.501 ( 5 )
-9.561 ( 6 ) -9.345 ( 7 )
-9.341 ( 8 ) -9.411
24
A19.4
Exper: -9.105 Pred:( 1 )
-7.868 ( 2 ) -7.42 ( 3 )
-6.972 ( 4 ) -7.311 ( 5 )
-7.304 ( 6 ) -7.409 ( 7 )
-7.598 ( 8 ) -7.684
25
A17.0
Exper: -10.2 Pred:( 1 )
-8.462 ( 2 ) -9.08 ( 3 )
-10.46 ( 4 ) -9.928 ( 5 )
-10.01 ( 6 ) -10.18 ( 7 )
-10.43 ( 8 ) -10.51
26
A32.0
Exper: -9.324 Pred:( 1 )
-8.935 ( 2 ) -9.19 ( 3 )
-8.791 ( 4 ) -9.078 ( 5 )
-9.34 ( 6 ) -9.406 ( 7 )
-9.365 ( 8 ) -9.256
27
A33.0
Exper: -8.453 Pred:( 1 )
-8.581 ( 2 ) -8.648 ( 3 )
-8.289 ( 4 ) -8.605 ( 5 )
-8.901 ( 6 ) -8.892 ( 7 )
-8.886 ( 8 ) -8.778
28
A34.0
Exper: -10.09 Pred:( 1 )
-10.05 ( 2 ) -11.23 ( 3 )
-9.872 ( 4 ) -10
( 5 ) -9.862 ( 6 ) -10.24 ( 7 )
-9.911 ( 8 ) -10.26
29
A35.0
Exper: -9.521 Pred:( 1 )
-9.111 ( 2 ) -9.533 ( 3 )
-9.291 ( 4 ) -9.442 ( 5 )
-9.808 ( 6 ) -9.503 ( 7 )
-9.551 ( 8 ) -9.591
30
A36.0
Exper: -9.979 Pred:( 1 )
-9.134 ( 2 ) -9.653 ( 3 )
-9.521 ( 4 ) -9.73 ( 5 )
-10.21 ( 6 ) -9.805 ( 7 )
-9.742 ( 8 ) -9.562
31
A37.0
Exper: -10.4 Pred:( 1 )
-8.892 ( 2 ) -9.176 ( 3 )
-9.075 ( 4 ) -9.5 ( 5 )
-9.891 ( 6 ) -10.02 ( 7 )
-9.974 ( 8 ) -9.827
32
A41.0
Exper: -6.817 Pred:( 1 )
-9.807 ( 2 ) -8.299 ( 3 )
-8.311 ( 4 ) -8.133 ( 5 )
-7.924 ( 6 ) -7.947 ( 7 )
-7.95 ( 8 ) -7.813
33
A29.0
Exper: -12.55 Pred:( 1 )
-10.4 ( 2 ) -11.7 ( 3 )
-12.28 ( 4 ) -13.17 ( 5 )
-12.68 ( 6 ) -12.76 ( 7 )
-12.74 ( 8 ) -12.77
34
A30.0
Exper: -10.17 Pred:( 1 )
-8.392 ( 2 ) -8.327 ( 3 )
-9.5 ( 4 ) -10.48 ( 5 )
-10.13 ( 6 ) -10.09 ( 7 )
-10.35 ( 8 ) -10.22
35
A31.0
Exper: -8.454 Pred:( 1 )
-8.426 ( 2 ) -8.241 ( 3 )
-8.612 ( 4 ) -9.03 ( 5 )
-8.414 ( 6 ) -8.138 ( 7 )
-8.07 ( 8 ) -7.934
36
A38.0
Exper: -8.021 Pred:( 1 )
-8.533 ( 2 ) -8.508 ( 3 )
-8.012 ( 4 ) -8.237 ( 5 )
-8.47 ( 6 ) -8.431 ( 7 )
-8.499 ( 8 ) -8.367
37
A40.0
Exper: -10.3 Pred:( 1 )
-10.64 ( 2 ) -9.396 ( 3 )
-10.5 ( 4 ) -10.5 ( 5 )
-10.71 ( 6 ) -10.48 ( 7 )
-10.33 ( 8 ) -10.59
38
A39.0
Exper: -10.5 Pred:( 1 )
-10.15 ( 2 ) -8.566 ( 3 )
-9.214 ( 4 ) -9.247 ( 5 )
-9.388 ( 6 ) -9.576 ( 7 )
-9.481 ( 8 ) -9.59
With BUW or FFD
with D-selection no better results.
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