Table 3.
R1ρ relaxation dispersion fitting parameters for the sample RNA data
| AIC | RMS | kex | pb | δA0 | δB0 | R1A | R1B | R2A | R2B | |
|---|---|---|---|---|---|---|---|---|---|---|
| NOEX | 906.4 | 5.48 | 0.0 ± 0.0 | 0.0 ± 0.0 | 0.2 ± 0.08 | 0.0 ± 0.0 | 2.4 ± 0.04 | 0.0 ± 0.0 | 43.4 ± 4.6 | 0.0 ± 0.0 |
| TROTT_PALMER | 367.1 | 0.464 | 114.3 ± 2.3 | 0.1 ± 0.002 | 0.0 ± 0.01 | 4.0 ± 0.04 | 2.5 ± 0.03 | 2.5 ± 0.03 | 28.7 ± 0.4 | 81.2 ± 11.4 |
| BALDWINKAY | 408.3 | 0.558 | 105.2 ± 3.5 | 0.1 ± 0.002 | 0.0 ± 0.01 | 3.9 ± 0.04 | 2.5 ± 0.02 | 2.5 ± 0.02 | 34.2 ± 0.4 | 101.2 ± 17.2 |
| LAGUERRE | 571.2 | 1.178 | 117.7 ± 5.1 | 0.11 ± 0.004 | − 0.3 ± 0.02 | 4.0 ± 0.07 | 2.5 ± 0.01 | 2.5 ± 0.01 | 28.5 ± 1.3 | 28.5 ± 1.3 |
| EXACT0 | 310.8 | 0.36 | 111.6 ± 2.5 | 0.11 ± 0.002 | 0.0 ± 0.0 | 3.9 ± 0.02 | 2.5 ± 0.03 | 2.5 ± 0.03 | 29.0 ± 0.3 | 130.3 ± 20.0 |
| EIGENEXACT | 313.2 | 0.364 | 110.7 ± 1.6 | 0.11 ± 0.002 | 0.0 ± 0.01 | 3.9 ± 0.04 | 2.5 ± 0.03 | 2.5 ± 0.03 | 30.3 ± 0.3 | 67.2 ± 11.5 |
| Literature | 116.0 ± 2.0 | 0.11 ± 0.002 | − 3.95 ± 0.02 | 2.4 ± 0.03 | 2.4 ± 0.03 | 28.8 ± 0.2 | 122.0 ± 15.0 | |||
The best fit to the data is shown in bold. Literature values are for the RNA C8 atom at 30 °C from (Zhao et al. 2014)