Table 4:
Number of total changes in classification when comparing the classification obtained for targets using only the low-fragmentation mass spectrum and when using all the is-CID mass spectra. Values above the diagonal indicate an improvement in the classification while values below the diagonal (bolded and italicized) indicate a drop in classification. In each cell, the left column indicates the number of changes when using FPIE as the scoring metric (along with a 0.7 a.u. scoring threshold) and the right column indicates the number of changes when using RevMF as the scoring metric.
| Low-fragmentation only classification | |||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Ideal | Desirable | Acceptable | Non-Descriptive 1 | Non-Descriptive 2 | Undesirable | ||||||||
| All is-CID spectra classification | Ideal | 10 | 9 | 0 | 3 | 58 | 66 | 0 | 1 | 0 | 1 | ||
| Desirable | 2 | 0 | 3 | 0 | 6 | 13 | 01 | 0 | 0 | 0 | |||
| Acceptable | 0 | 0 | 4 | 5 | 0 | 0 | 0 | 0 | 0 | 0 | |||
| Non-Descriptive 1 | 12 | 0 | 0 | 0 | 0 | 0 | 0 | 2 | 1 | 0 | |||
| Non-Descriptive 2 | 29 | 45 | 1 | 0 | 0 | 1 | 4 | 11 | 4 | 5 | |||
| Undesirable | 0 | 0 | 0 | 0 | 0 | 0 | 4 | 4 | 0 | 0 | |||