Table 1.
Summary of the parameters in generating simulated data: solute concentration (fs), solute-water exchange rate (ksw), longitudinal relaxation time (T1), transverse relaxation time (T2), and solute resonance frequency offset (Δ).
| fs(10−3) | ksw(s−1) | T1(s) | T2(ms) | Δ(ppm) | ||
|---|---|---|---|---|---|---|
| Amide | LB ~ UB | 0.1 ~ 3 | 1 ~ 100 | 1 ~ 1 | 0.5 ~ 100 | 3.5 |
| Guanidyl/Amine | 0.1 ~ 2 | 100 ~ 1,000 | 1 ~ 1 | 0.1 ~ 5 | 2 | |
| Hydroxyl | 0.1 ~ 10 | 100 ~ 2000 | 1 ~ 1 | 0.1 ~ 5 | 1.3 | |
| Free water | 1,000 ~ 1,000 | – | 1 ~ 3 | 20 ~ 100 | 0 | |
| NOE (−1.6) | 1 ~ 5 | 1 ~ 50 | 1 ~ 1 | 0.1 ~ 1 | −1.6 | |
| MT | 10 ~ 200 | 1 ~ 50 | 1 ~ 1 | 0.01 ~ 0.1 | −2.4 | |
| NOE (−3.5) | 10 ~ 50 | 1 ~ 40 | 1 ~ 1 | 1 ~ 10 | −3.5 | |