Variablea Levelb N Estc Average Estd Range Este Average SEf
Neutral Mass Loss -17 10 2.4780 0.0760 0.0085
  -18 10 2.5416 0.0739 0.0085
  -3 10 2.4066 0.0691 0.0101
  -4 10 2.4343 0.0720 0.0086
  None 10 2.7675 0.0743 0.0084
Proton Mobility Mobile 10 2.4823 0.0731 0.0084
  Non-Mobile 10 2.4558 0.1019 0.0093
  Partial-Mobile 10 2.6388 0.0650 0.0084
Peptide- 11 10 2.5186 0.0928 0.0089
Fragment Ion 21 10 2.5966 0.0618 0.0085
Charge 22 10 2.4287 0.0702 0.0086
  31 10 2.5719 0.0766 0.0087
  32 10 2.6178 0.0690 0.0087
  33 10 2.4201 0.0723 0.0089
Peptide- 00 10 2.6012 0.1593 0.0128
Fragment Ion 10 10 2.5509 0.0822 0.0088
Basic 11 10 2.5863 0.0738 0.0086
  20 10 2.3724 0.0771 0.0090
  21 10 2.5066 0.0538 0.0083
  22 10 2.5363 0.0688 0.0086
Peptide- 00 9 2.5076 0.0935 0.0083
Fragment Ion 10 9 2.5276 0.0660 0.0086
K 11 9 2.5534 0.0621 0.0088
Peptide- 00 10 2.5336 0.0897 0.0084
Fragment Ion 10 10 2.4919 0.0731 0.0086
R 11 10 2.5513 0.0837 0.0088
Peptide- 00 10 2.5934 0.0554 0.0085
Fragment Ion 10 10 2.5247 0.0736 0.0086
P 11 10 2.5270 0.0677 0.0085
  20 10 2.4853 0.0964 0.0090
  21 10 2.5051 0.0848 0.0087
  22 10 2.5183 0.0874 0.0086
aVariables significant at p < 0.00005 in seven or more data sets and minimum difference between most extreme levels (average estimates) ≥ 0.05 log10 (ion intensity); Neutral Mass Loss: ammonia (-17 Da) or water (-18 Da), -3 = H2S+H (-34 Da), Cl (-35 Da), or HCl (-36 Da), and -4 = C2H5O+H (-46 Da), C2H5O (-45 Da), CO2O, or CONH2 (-44 Da); Peptide-Fragment Ion Charge: combination of charge state or residue counts in the peptide ion and fragment ion; Peptide Ion basic: combination of the number of residues in the peptide ion and fragment ion that are basic (H, R, and K); Peptide-Fragment Ion K: combination of the number of residues in the peptide ion and fragment ion that are K; Peptide-Fragment Ion P:combination of the number of residues in the peptide ion and fragment ion that are P; Peptide-Fragment Ion R:combination of the number of residues in the peptide ion and fragment ion that are R.
bLevels of each variable. Peptide-Fragment Ion: first and second position in the level denotes the level of the indicator in the peptide ion and in the fragment ion, respectively.
cNumber of training data sets significant at p < 0.00005.
dAverage of the log10 (intensity) estimates, adjusted for all other variables in the model, across all 10 data sets.
eRange of the log10 (intensity) estimates across all 10 data sets.
fAverage standard error of the log10 (intensity) estimates across all 10 data sets.
Table 2: Average estimates and standard errors of the discrete multi-level factors significantly associated with fragment ion intensity and number of data sets (out of 10) that detected the factor.