Example of Enrichment Fraction and Abundance Calculation
This is an example for a measured compound alanine (C3H7NO2) measured with 13C and 15N labeling.
PeakData
| Labeled Element:Count | Corrected Abundance | Fraction |
|---|---|---|
| C:0; N:0 | 1090437 | 0.633529 |
| C:0; N:1 | 154827.9 | 0.089953 |
| C:1; N:0 | 0 | 0 |
| C:1; N:1 | 0 | 0 |
| C:2; N:0 | 3105.043 | 0.001804 |
| C:2; N:1 | 0 | 0 |
| C:3; N:0 | 33989.78 | 0.019748 |
| C:3; N:1 | 438849.7 | 0.254966 |
PeakGroup
| Sample | Tissue | Measured Compound | Labeled Element | Total Abundance | Enrichment Fraction | Enrichment Abundance |
|---|---|---|---|---|---|---|
| sampleid | serum_plasma_tail | alanine | C | 1721209.0 | 0.2759 | 474909.4989 |
| sampleid | serum_plasma_tail | alanine | N | 1721209.0 | 0.3449 | 593677.6307 |
Note that PeakGroup data is split into a separate row for each element.