Table 1 Convergence diagnostics comparing three chains of 5000 samples run for all reactions in the Poolman, Arnold, and Dal’Molin models using the ACHR, OPTGP, and CHRR algorithm with the indicated thinning
From: Flux sampling is a powerful tool to study metabolism under changing environmental conditions
Model | Sampler | Thinning | Convergence diagnostics | |||
|---|---|---|---|---|---|---|
Nmax (Raftery & Lewis) | % I > 5 (Raftery & Lewis) | % Z > 1.28 (Gweke) | % IPSRF < 0.9 or IPSRF > 1.1 | |||
Poolman | ACHR | 100 | 2862482 | 53 | 28 | 30 |
1000 | 1557990 | 46 | 23 | 16 | ||
10,000 | 1083360 | 41 | 20 | 14 | ||
OPTGP | 100 | 1664187 | 53 | 22 | 13 | |
1000 | 1099330 | 45 | 21 | 11 | ||
10,000 | 1717480 | 40 | 17 | 6 | ||
CHRR | 100 | 303880 | 15 | 14 | 0 | |
1000 | 27906 | 0 | 12 | 0 | ||
10,000 | 4636 | 0 | 10 | 0 | ||
Arnold | ACHR | 100 | 385177 | 49 | 39 | 9 |
1000 | 312384 | 12 | 34 | 3 | ||
10,000 | 323570 | 9 | 23 | 0 | ||
OPTGP | 100 | 910210 | 45 | 36 | 7 | |
1000 | 1538190 | 12 | 30 | 3 | ||
10,000 | 1679346 | 9 | 32 | 17 | ||
CHRR | 100 | 122760 | 17 | 24 | 0 | |
1000 | 17508 | 0 | 21 | 0 | ||
10,000 | 4198 | 0 | 19 | 0 | ||
Dal’Molin | ACHR | 100 | 41951912 | 37 | 13 | 17 |
1000 | 4982459 | 28 | 12 | 10 | ||
10,000 | 1544792 | 23 | 10 | 6 | ||
OPTGP | 100 | 1834104 | 37 | 17 | 14 | |
1000 | 1891665 | 27 | 11 | 6 | ||
10,000 | 1700907 | 22 | 11 | 3 | ||
CHRR | 100 | 550776 | 10 | 16 | 3 | |
1000 | 387456 | 4 | 16 | 3 | ||
10,000 | 226856 | 3 | 13 | 2 | ||
