Table 1 Scoring of theoretical mass spectrum under different conditions
From: Tandem mass spectrometry data quality assessment by self-convolution
Protein Sequence: MTDQEAIQDLWQWR | |||||
|---|---|---|---|---|---|
S/No | Descriptions | Mid-point m/z | Mid-point peak value | Average of 20 peaks | Quality Score |
Test Section A | |||||
1 | White Gaussian noise level = 0% | 910.92 | 1.00 | 0.2149 | 4.6542 |
2 | White Gaussian noise level = 5% | 910.92 | 1.00 | 0.2195 | 4.5564 |
3 | White Gaussian noise level = 10% | 910.92 | 1.00 | 0.2162 | 4.6255 |
4 | White Gaussian noise level = 15% | 910.92 | 1.00 | 0.2820 | 3.5467 |
5 | White Gaussian noise level = 20% | 910.91 | 1.00 | 0.5616 | 1.7808 |
6 | White Gaussian noise level = 25% | 910.92 | 1.00 | 0.7875 | 1.2699 |
7 | White Gaussian noise level = 30% | 910.92 | 1.00 | 0.8570 | 0.9140 |
Test Section B | |||||
1 | add 10 random peaks, noise level 1 | 910.92 | 1.00 | 0.2150 | 4.6511 |
2 | add 20 random peaks, noise level 1 | 910.92 | 1.00 | 0.2153 | 4.6442 |
Test Section C | |||||
1 | b-ions peaks reduced by 10%, noise level 1 | 910.92 | 1.00 | 0.2206 | 4.5330 |
2 | b-ions peaks reduced by 20%, noise level 1 | 910.92 | 1.00 | 0.2263 | 4.4192 |
3 | b-ions peaks reduced by 30%, noise level 1 | 910.92 | 1.00 | 0.2360 | 4.2380 |
4 | b-ions peaks reduced by 40%, noise level 1 | 910.92 | 1.00 | 0.2510 | 3.9842 |
5 | b-ions peaks reduced by 50%, noise level 1 | 910.92 | 1.00 | 0.2727 | 3.6673 |
6 | b-ions peaks reduced by 60%, noise level 1 | 910.92 | 1.00 | 0.3335 | 2.9989 |
7 | b-ions peaks reduced by 70%, noise level 1 | 910.92 | 1.00 | 0.4363 | 2.2654 |
8 | b-ions peaks reduced by 80%, noise level 1 | NA | - | - | - |
Test Section D | |||||
1 | y-ions peaks reduced by 10%, noise level 1 | 910.92 | 1.00 | 0.2169 | 4.6106 |
2 | y-ions peaks reduced by 20%, noise level 1 | 910.92 | 1.00 | 0.2198 | 4.5489 |
3 | y-ions peaks reduced by 30%, noise level 1 | 910.92 | 1.00 | 0.2235 | 4.4740 |
4 | y-ions peaks reduced by 40%, noise level 1 | 910.92 | 1.00 | 0.2303 | 4.3418 |
5 | y-ions peaks reduced by 50%, noise level 1 | 910.92 | 1.00 | 0.2435 | 4.1072 |
6 | y-ions peaks reduced by 60%, noise level 1 | 910.92 | 1.00 | 0.2956 | 3.3824 |
7 | y-ions peaks reduced by 70%, noise level 1 | 910.92 | 1.00 | 0.3926 | 2.5468 |
8 | y-ions peaks reduced by 80%, noise level 1 | NA | - | - | - |
Test Section E | |||||
1 | minus 2 b-ions peaks, noise level 1 | 910.92 | 1.00 | 0.2097 | 4.7692 |
2 | minus 4 b-ions peaks, noise level 1 | 910.92 | 1.00 | 0.2320 | 4.3103 |
3 | minus 6 b-ions peaks, noise level 1 | 910.92 | 1.00 | 0.3013 | 3.3190 |
4 | minus 8 b-ions peaks, noise level 1 | 910.92 | 1.00 | 0.3435 | 2.9114 |
5 | minus 10 b-ions peaks, noise level 1 | NA | - | - | - |
Test Section F | |||||
1 | minus 2 y-ions peaks, noise level 1 | 910.92 | 1.00 | 0.2512 | 3.9813 |
2 | minus 4 y-ions peaks, noise level 1 | 910.92 | 1.00 | 0.3027 | 3.3041 |
3 | minus 6 y-ions peaks, noise level 1 | 910.92 | 1.00 | 0.3810 | 2.6245 |
4 | minus 8 y-ions peaks, noise level 1 | 910.92 | 1.00 | 0.4432 | 2.2562 |
5 | minus 10 y-ions peaks, noise level 1 | NA | - | - | - |