Peak | Parameterb | Result | IATCf |
|---|
(m/z) | n | x |
τ
| r |
θ
| 1- [P(n, x, θ)] | P(n, x, θ) | S | (AU) |
927.4001+ | 67 | 4 | 16.0c | 1750 | 0.00914286 | 0.99661194 | 0.00338806 | 5.68749793 | 250.0 |
1418.5731+ | 95 | 17 | 94.0d | 1650 | 0.05696970 | 0.99997508 | 2.4920E-05 | 10.5998440 | 1000.0 |
1381.3051+ | 37 | 7 | 72.0e | 1620 | 0.04444444 | 0.99849872 | 1.5013E-03 | 6.5014354 | 100.0 |
- a Statistical significances of b and y-type ion matchings were measured only for the 927.4001+ and 1418.5731+ peaks of EGS-crosslinking experiment, and the 1381.3051+ peak of GMBS-crosslinking experiment.
- b Parameters were evaluated manually, see Equations (1), (2) and (3) for definitions of the symbols.
- c Sum of matching range based on the theoretical tandem MS spectrum of EGS-crosslink GFK-GFK. Ions result from a b/y-type cleavage at the crossbridge peptide bonds were not considered. Terminal b/y-type ions were accounted.
- d Sum of matching range based on the theoretical tandem MS spectrum of EGS-crosslink ASWNK-ATIKR. Ions result from a b/y-type cleavage at the crossbridge peptide bonds were not considered. Terminal b/y-type ions were accounted.
- e Sum of matching range based on the theoretical tandem MS spectrum of GMBS-crosslink AVK-GILCSD(g-deco-K). Ions result from a b/y-type cleavage at the crossbridge peptide bonds were not considered. Terminal b/y-type ions were accounted.
- f IATC, ion abundance threshold cut-off; AU, arbitrary unit. Peaks with abundances below the specified IATC were not accounted in this statistics. The IATC values are decided based on both the severity of background noise interference and the maximum observed ion abundance. [See Additional file 5, 6]
