Table 2. The distribution (%) of peptides not included in the training sample by absolute prediction error of pI. The scale with neighboring residuals taken into account was used.
Absolute error |
Data set 1 |
Data set 2 |
Data set 3 |
Data set 4 |
Data set 5 |
Data set 6 |
Data set 7 |
Data set 8 |
Data set 9 |
Data set 10 |
Data set 11 |
Data set 12 |
Data set 13 |
Data set 14 |
Data set 15 |
Data set 16 |
Data set 17 |
Data set 18 |
Data set 19 |
Data set 20 |
Data set 21 |
Data set 22 |
Data set 23 |
Data set 24 |
Data set 25 |
Median |
0.05 |
33.2 |
9.2 |
33.0 |
0.7 |
11.7 |
12.9 |
10.8 |
23.3 |
30.0 |
28.5 |
26.8 |
27.2 |
8.3 |
27.3 |
30.2 |
0.1 |
6.0 |
44.8 |
19.1 |
23.2 |
18.9 |
22.9 |
23.6 |
13.6 |
22.8 |
25.7 |
0.10 |
25.8 |
14.0 |
23.2 |
1.3 |
14.5 |
17.2 |
14.7 |
19.6 |
22.6 |
23.7 |
21.9 |
24.1 |
8.1 |
21.9 |
28.5 |
0.2 |
8.4 |
29.2 |
16.9 |
19.0 |
18.9 |
20.2 |
22.1 |
14.1 |
23.0 |
21.4 |
0.15 |
12.2 |
11.3 |
13.0 |
2.6 |
18.4 |
18.5 |
19.1 |
14.7 |
13.1 |
16.1 |
14.2 |
16.1 |
10.0 |
17.6 |
13.5 |
0.2 |
12.3 |
11.7 |
14.9 |
13.8 |
14.1 |
15.5 |
12.9 |
14.3 |
13.2 |
14.6 |
0.20 |
6.7 |
7.9 |
6.0 |
6.2 |
15.2 |
11.3 |
16.7 |
10.0 |
6.8 |
8.4 |
7.8 |
10.8 |
12.9 |
8.7 |
7.4 |
0.2 |
13.3 |
5.1 |
9.8 |
9.4 |
8.9 |
10.6 |
9.2 |
13.9 |
10.0 |
9.4 |
0.25 |
2.7 |
7.4 |
2.1 |
12.1 |
8.8 |
6.0 |
13.1 |
5.7 |
4.0 |
5.1 |
4.2 |
6.1 |
12.8 |
4.4 |
4.3 |
0.3 |
18.1 |
1.6 |
8.0 |
6.8 |
7.5 |
5.4 |
5.8 |
10.8 |
4.1 |
5.7 |
0.30 |
1.3 |
4.3 |
1.5 |
18.7 |
4.1 |
2.6 |
4.8 |
3.0 |
2.9 |
3.2 |
3.2 |
3.6 |
10.7 |
2.2 |
2.5 |
0.2 |
11.3 |
0.7 |
5.5 |
4.6 |
5.4 |
4.0 |
2.8 |
5.7 |
4.5 |
3.3 |
0.35 |
0.9 |
2.6 |
1.2 |
17.8 |
2.0 |
1.5 |
1.9 |
3.8 |
1.4 |
2.0 |
1.5 |
2.4 |
6.0 |
1.7 |
1.5 |
0.3 |
6.3 |
0.3 |
3.7 |
2.7 |
3.9 |
2.4 |
3.3 |
2.4 |
1.9 |
2.0 |
0.40 |
0.7 |
1.7 |
1.0 |
12.1 |
1.4 |
1.0 |
1.0 |
1.7 |
1.0 |
1.1 |
0.9 |
1.4 |
2.4 |
0.9 |
0.9 |
0.3 |
2.5 |
0.3 |
3.0 |
2.1 |
2.0 |
1.5 |
2.4 |
1.2 |
2.3 |
1.2 |
0.45 |
0.8 |
2.0 |
0.9 |
5.2 |
1.3 |
1.5 |
1.0 |
1.1 |
0.8 |
0.8 |
0.6 |
0.8 |
1.4 |
0.6 |
0.4 |
0.2 |
1.2 |
0.4 |
2.4 |
1.7 |
1.4 |
1.3 |
1.8 |
0.5 |
1.6 |
0.9 |
0.50 |
0.6 |
1.8 |
1.2 |
2.1 |
1.1 |
1.6 |
1.2 |
1.0 |
0.8 |
0.6 |
0.8 |
0.5 |
0.9 |
0.7 |
0.3 |
0.2 |
0.6 |
0.4 |
2.0 |
1.4 |
1.4 |
0.9 |
1.2 |
0.3 |
1.4 |
0.8 |
0.55 |
0.9 |
1.6 |
1.9 |
1.1 |
1.0 |
1.6 |
1.4 |
0.7 |
0.8 |
0.5 |
0.7 |
0.4 |
1.3 |
0.6 |
0.3 |
0.1 |
0.6 |
0.4 |
1.1 |
0.9 |
1.2 |
0.7 |
0.9 |
0.4 |
1.0 |
0.8 |
0.60 |
1.3 |
1.8 |
2.2 |
0.9 |
1.0 |
1.0 |
2.1 |
0.7 |
0.7 |
0.5 |
0.6 |
0.3 |
1.4 |
0.6 |
0.2 |
0.1 |
0.9 |
0.5 |
1.1 |
0.6 |
0.5 |
0.4 |
0.3 |
0.6 |
0.7 |
0.8 |
0.65 |
1.6 |
1.6 |
1.8 |
0.9 |
1.9 |
1.2 |
2.9 |
0.4 |
0.7 |
0.4 |
0.7 |
0.3 |
1.0 |
0.8 |
0.2 |
0.1 |
0.6 |
0.5 |
0.3 |
0.7 |
0.5 |
0.5 |
0.6 |
0.7 |
0.6 |
0.9 |
0.70 |
1.3 |
3.2 |
1.5 |
0.8 |
2.8 |
1.5 |
3.0 |
0.5 |
0.5 |
0.3 |
0.5 |
0.3 |
1.6 |
0.6 |
0.2 |
0.1 |
0.9 |
0.2 |
0.7 |
0.5 |
0.6 |
0.5 |
0.6 |
1.1 |
0.4 |
0.9 |
0.75 |
1.5 |
3.3 |
1.5 |
0.9 |
3.6 |
2.5 |
2.0 |
0.6 |
0.3 |
0.5 |
0.5 |
0.2 |
2.1 |
0.5 |
0.2 |
0.1 |
0.7 |
0.3 |
0.6 |
0.5 |
0.7 |
0.6 |
0.5 |
1.3 |
0.5 |
1.0 |
0.80 |
1.1 |
1.5 |
1.4 |
1.0 |
3.6 |
4.5 |
0.7 |
0.7 |
0.4 |
0.4 |
0.4 |
0.2 |
2.3 |
0.4 |
0.2 |
0.0 |
1.5 |
0.2 |
0.6 |
0.3 |
0.6 |
0.5 |
0.4 |
1.6 |
0.2 |
0.9 |
0.85 |
0.8 |
1.8 |
0.5 |
1.4 |
1.8 |
3.9 |
0.2 |
0.8 |
0.4 |
0.4 |
0.2 |
0.3 |
1.7 |
0.6 |
0.2 |
0.1 |
2.7 |
0.2 |
0.5 |
0.3 |
0.3 |
0.3 |
0.3 |
1.4 |
0.4 |
0.8 |
0.90 |
0.7 |
2.2 |
0.3 |
1.8 |
0.8 |
2.3 |
0.1 |
0.8 |
0.3 |
0.4 |
0.3 |
0.2 |
1.4 |
0.5 |
0.2 |
0.1 |
1.8 |
0.1 |
0.4 |
0.5 |
0.3 |
0.5 |
0.4 |
1.1 |
0.4 |
0.6 |
0.95 |
0.3 |
3.9 |
0.4 |
1.9 |
0.2 |
1.1 |
0.1 |
0.5 |
0.4 |
0.4 |
0.2 |
0.1 |
0.5 |
0.4 |
0.3 |
0.1 |
1.4 |
0.0 |
0.1 |
0.4 |
0.3 |
0.2 |
0.4 |
0.7 |
0.2 |
0.5 |
1.00 |
0.5 |
4.2 |
0.4 |
1.3 |
0.1 |
0.6 |
0.0 |
0.6 |
0.1 |
0.3 |
0.1 |
0.2 |
0.4 |
0.4 |
0.1 |
0.1 |
1.0 |
0.0 |
0.2 |
0.3 |
0.3 |
0.2 |
0.3 |
0.5 |
0.2 |
0.4 |
>1 |
5.2 |
12.8 |
5.0 |
9.3 |
4.8 |
5.9 |
3.1 |
9.8 |
12.1 |
6.5 |
14.0 |
4.7 |
13.0 |
8.7 |
8.5 |
97.1 |
8.0 |
3.4 |
9.0 |
10.5 |
12.5 |
11.1 |
10.2 |
14.1 |
10.6 |
7.4 |
<=0.25 |
80.5 |
49.9 |
77.4 |
22.9 |
68.6 |
65.8 |
74.5 |
73.3 |
76.4 |
81.8 |
75.0 |
84.3 |
52.0 |
79.9 |
83.9 |
0.9 |
58.0 |
92.3 |
68.7 |
72.0 |
68.3 |
74.5 |
73.6 |
66.6 |
73.1 |
76.8 |
>0.25 |
19.5 |
50.1 |
22.6 |
77.1 |
31.4 |
34.2 |
25.5 |
26.7 |
23.6 |
18.2 |
25.1 |
15.8 |
48.0 |
20.1 |
16.1 |
99.0 |
42.0 |
7.7 |
31.3 |
28.0 |
31.7 |
25.5 |
26.4 |
33.4 |
26.9 |
23.2 |