Table 2.
CEST fitting parameters for the sample RNA data
| AIC | RMS | kex | pb | δA0 | δB0 | R1A | R1B | R2A | R2B | |
|---|---|---|---|---|---|---|---|---|---|---|
| TROTT–PALMER-SD | − 533 | 0.014 | 163.2 ± 24.2 | 0.08 ± 0.006 | 2.8 ± 0.02 | − 1.3 ± 0.01 | 2.4 ± 0.01 | 2.4 ± 0.01 | 19.4 ± 1.9 | 148.1 ± 17.5 |
| TROTT–PALMER | − 531 | 0.014 | 157.5 ± 20.9 | 0.08 ± 0.005 | 2.8 ± 0.02 | − 1.3 ± 0.01 | 2.4 ± 0.01 | 2.4 ± 0.01 | 19.2 ± 1.7 | 155.1 ± 19.2 |
| BALDWIN–KAY | − 528 | 0.014 | 164.9 ± 21.4 | 0.08 ± 0.004 | 2.8 ± 0.02 | − 1.3 ± 0.01 | 2.4 ± 0.01 | 2.4 ± 0.01 | 21.3 ± 1.9 | 153.0 ± 17.0 |
| LAGUERRE | − 432 | 0.020 | 300.9 ± 30.2 | 0.07 ± 0.005 | 2.9 ± 0.03 | − 1.4 ± 0.03 | 2.5 ± 0.01 | 2.5 ± 0.01 | 11.9 ± 2.2 | 11.9 ± 2.2 |
| EXACT1 | − 648 | 0.010 | 109.9 ± 13.6 | 0.10 ± 0.005 | 2.8 ± 0.01 | − 1.3 ± 0.01 | 2.0 ± 0.03 | 2.0 ± 0.03 | 25.6 ± 1.1 | 153.4 ± 11.0 |
| EXACT0 | − 647 | 0.010 | 107.5 ± 13.7 | 0.10 ± 0.006 | 2.8 ± 0.01 | − 1.3 ± 0.01 | 2.0 ± 0.03 | 2.2 ± 0.09 | 25.7 ± 1.2 | 154.0 ± 9.2 |
| EXACT2 | − 518 | 0.015 | 243.7 ± 23.5 | 0.07 ± 0.006 | 2.8 ± 0.01 | − 1.4 ± 0.02 | 2.2 ± 0.04 | 2.5 ± 0.37 | 16.3 ± 1.0 | 16.3 ± 1.0 |
| EIGENEXACT1 | − 519 | 0.015 | 161.8 ± 25.2 | 0.08 ± 0.006 | 2.8 ± 0.02 | − 1.3 ± 0.01 | 2.4 ± 0.01 | 2.4 ± 0.01 | 20.7 ± 2.2 | 145.6 ± 21.7 |
| Literature | 109.0 ± 8.0 | 0.10 ± 0.003 | − 4.09 ± 0.01 | 2.4 ± 0.01 | 2.4 ± 0.01 | 24.1 ± 0.8 | 147.0 ± 7.0 | |||
The best fit to the data is shown in bold. Literature values are for the RNA C8 atom at 30 ºC from (Zhao et al. 2014)