Table 4. Tests with the highest score in the joint ranking.
The full list is available in (S4 Table). *(run #3) reflects the conditions used in the original matTFA.
| Rank sum | 62.5 | 59.5 | 56.5 | 51.5 | |||||||
| Correlation coefficient TFA vs. 13C-MFA |
0.95 | 0.95 | 0.90 | 0.90 | |||||||
| Correlation coefficient metabolomics | 0.18 | 0.17 | 0.17 | 0.15 | |||||||
| Run number | 20 | 24 | 52 | 56 | 28 | 60 | 32 | 64 | 12 | 44 | 3* |
|
t (°C) (0 = 25, 1 = 37) |
1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0 |
|
I (M) (0 = 0, 1 = 0.25) |
1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 |
| S (g/kg) (0 = 0, 1 = 13.74) |
0 | 1 | 0 | 1 | 0 | 0 | 1 | 1 | 0 | 0 | 0 |
| Parameter A (0 = t-dependent, 1 = t/S-dependent) |
0 | 0 | 0 | 0 | 1 | 1 | 1 | 1 | 1 | 1 | 0 |
| Adjustment method (0 = DH, 1 = Davies) |
1 | 1 | 1 | 1 | 1 | 1 | 1 | 1 | 0 | 0 | 0 |
| [met] (0 = default, 1 = experimental values) | 0 | 0 | 1 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
Davies, Davies equation; DH, extended Debye-Hückel equation; [met], metabolite concentration values. Values of 0 and 1 in the headers refer to the binary codification from the full factorial design (S3 Table). *Run #3 represents the analytical conditions from the original matTFA, added here as a reference. There is a ‘default matTFA’ constraint regarding set concentrations values for AMP, ADP and ATP, as included in the original matTFA script. ‘Experimental values’ refers to the use of published metabolomics data (S1 Dataset). Correlation coefficient values were rounded to the closest integer for ranking purposes.