Table 1. Predictions of RADDOSE-XFEL and RADDOSE-3D.
The target column gives the solvent. Note that the right column shows the average number of ionizations for non-H atoms only. Pulse parameters and targets are equivalent to those given in Section 3.1.
| Protein | Solvent (35.1% v/v) | RADDOSE-3D dose (MGy) | RADDOSE-XFEL dose (MGy) | RADDOSE-XFEL average non-H ionizations |
|---|---|---|---|---|
| Light-atom control | Water | 1931.4 | 325.7 | 1.278 |
| Lysozyme | Water | 2338.8 | 483.6 | 1.856 |
| Lysozyme.Gd | 0.1 M Gd | 2923.2 | 1088.6† | 1.859† |
| Lysozyme.Gd | 0.1 M Gd 10% NaCl | 3476.6 | 1304.8† | 2.779† |
†
RADDOSE-XFEL assumes instantaneous dose absorption for some Gd ionization processes.