From: Improving MetFrag with statistical learning of fragment annotations
Top1 | Top3 | Top10 | Top1 (%) | α | β | αL | βL | ω1 | ω2 | ω3 | # Spectra |
---|---|---|---|---|---|---|---|---|---|---|---|
Negative Mode | |||||||||||
55 | 93 | 151 | 20.8 | 0.00002 | 0.00250 | 0.00050 | 0.00050 | 0.268 | 0.460 | 0.272 | 265 |
51 | 89 | 155 | 19.5 | 0.00002 | 0.06250 | 0.01250 | 0.00050 | 0.434 | 0.380 | 0.186 | 261 |
62 | 101 | 165 | 22.9 | 0.00050 | 0.01250 | 0.00010 | 0.01250 | 0.309 | 0.508 | 0.184 | 271 |
70 | 106 | 170 | 25.8 | 0.00050 | 0.00250 | 0.00002 | 0.01250 | 0.317 | 0.494 | 0.189 | 271 |
62 | 103 | 161 | 23.8 | 0.00010 | 0.00010 | 0.00010 | 0.00250 | 0.170 | 0.616 | 0.214 | 260 |
67 | 110 | 153 | 24.0 | 0.00010 | 0.00250 | 0.00250 | 0.00010 | 0.300 | 0.493 | 0.207 | 279 |
63 | 98 | 157 | 22.9 | 0.00010 | 0.00050 | 0.00010 | 0.00050 | 0.054 | 0.512 | 0.434 | 275 |
68 | 102 | 158 | 25.0 | 0.00002 | 0.00250 | 0.00250 | 0.00250 | 0.240 | 0.558 | 0.202 | 272 |
86 | 114 | 171 | 31.2* | 0.00010 | 0.00250 | 0.00250 | 0.00010 | 0.413 | 0.398 | 0.189 | 276 |
74 | 106 | 161 | 29.0 | 0.00010 | 0.00010 | 0.00002 | 0.00010 | 0.189 | 0.465 | 0.346 | 255 |
Positive Mode | |||||||||||
412 | 664 | 925 | 28.0 | 0.00010 | 0.00250 | 0.00010 | 0.00250 | 0.333 | 0.438 | 0.229 | 1471 |
402 | 622 | 866 | 28.2 | 0.00010 | 0.00050 | 0.00010 | 0.00250 | 0.208 | 0.483 | 0.309 | 1426 |
406 | 665 | 913 | 29.0 | 0.00010 | 0.01250 | 0.00250 | 0.00250 | 0.333 | 0.438 | 0.229 | 1399 |
395 | 651 | 894 | 27.6 | 0.00010 | 0.00250 | 0.00250 | 0.00250 | 0.309 | 0.503 | 0.188 | 1432 |
387 | 618 | 839 | 27.4 | 0.00010 | 0.00250 | 0.00050 | 0.00050 | 0.413 | 0.398 | 0.189 | 1413 |
408 | 630 | 870 | 28.6 | 0.00010 | 0.00050 | 0.00050 | 0.00050 | 0.165 | 0.584 | 0.251 | 1428 |
432 | 655 | 910 | 30.6* | 0.00010 | 0.01250 | 0.00250 | 0.00050 | 0.378 | 0.488 | 0.134 | 1410 |
400 | 642 | 874 | 28.2 | 0.00010 | 0.00250 | 0.00250 | 0.00050 | 0.210 | 0.488 | 0.302 | 1420 |
385 | 613 | 830 | 27.7 | 0.00010 | 0.00250 | 0.00010 | 0.00010 | 0.266 | 0.388 | 0.346 | 1389 |
396 | 638 | 891 | 27.7 | 0.00010 | 0.00050 | 0.00050 | 0.00010 | 0.165 | 0.593 | 0.242 | 1428 |