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![[Figure 5]](yi5167fig5mag.jpg)
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Figure 5
Electron density ratio of Gd ions to light ions (EDR) in lysozyme.Gd as measured in experiments by Nass et al. (2020  ) and in corresponding AC4DC simulations. The pulse energy corresponds to individual pump or probe pulses. All data points correspond to a pump pulse at t = 0 and a probe pulse at some delay, except for the `single pulse' at the t = 0 data point. Square points correspond to the probe-intensity-averaged Gd occupancy in the simulations (right axis). The dashed line shows the notional EDR of the undamaged target. The triangles correspond to the EDR observed by Nass et al. (2020) for the two Gd atoms in the asymmetric unit (Gd1 and Gd2). The simulated EDRs (circles) were computed as the probe-intensity-averaged occupancy of a Gd ion over that of a set of light atoms (C20N10O10), as in the considered study (Nass et al., 2020). The diamonds show the simulated EDRs scaled by a constant factor. The relative changes in the empirical EDR between probe pulse delays are remarkably similar to those predicted by AC4DC. In contrast, the EDRs are incommensurate with the Gd occupancy. The fluence of each pulse was modeled as the average within the nominal 0.2 µm focus of the experiment, and with the nominal 15 fs FWHM Gaussian temporal profiles. Simulations started 18 fs before the pump pulse, and ended 18 fs after the probe pulse. Theoretical values were measured by integrating over a 30 fs timespan, centered on the probe pulse. |
![[Figure 5]](yi5167fig5.jpg)
 | JOURNAL OF SYNCHROTRON RADIATION |
ISSN: 1600-5775
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