Table 2.
Feature statistics following the PAVE-supported analysis of the HILIC-HRMS data acquired in negative ionization mode
| PAVE output | HILIC-HRMS, negative ionization mode | |||
|---|---|---|---|---|
| D48-WT | D48-KO | SF-WT | SF-KO | |
| Total detected features | 19828 | |||
| Adduct | 77 | 46 | 172 | 156 |
| Background | 18308 | 18384 | 18041 | 18108 |
| Dimer | 2 | 1 | 22 | 13 |
| Fragment | 40 | 13 | 152 | 96 |
| Heterodimer | 5 | 0 | 33 | 26 |
| Isotope | 94 | 42 | 135 | 123 |
| Low carbon count | 50 | 24 | 68 | 60 |
| Low score | 239 | 270 | 90 | 127 |
| Multicharge | 6 | 0 | 3 | 2 |
| Discarded features | 18821 | 18780 | 18716 | 18711 |
| Discarded features (%) | 94.9% | 94.7% | 94.4% | 94.4% |
| Credentialed features | 1007 | 1048 | 1112 | 1117 |
| Credentialed features (%) | 5.1% | 5.3% | 5.6% | 5.6% |
| Total unique credentialed features per setup | 1441 | 1400 | ||
| Total unique credentialed features per setup (% vs. total detected features) | 7.3% | 7.1% | ||
| Retained features* | 1004 | 705 | ||
| Retained features (%) | 5.1% | 3.6% | ||
*Credentialed features that passed mass shift quality control criteria in Shinyscreen (i.e. showing the expected mass shift in the uniformly labelled 13C15N cultivation conditions). Bold font indicates retained features that were used in the following workflow steps