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This shift in plasmon energy cannot be properly accounted for by the fitting procedure, because the fit does not always converge, if also the plasmon energies are fitted.
The physical relevance of the quantities specified by the fitting procedure and the potential predictive capability of the model are discussed.
The distillation mass transfer coefficients obtained by the fitting procedure are compared with those calculated from absorption data using Onda's, Billet's and Linek's correlations.
Further band analysis was performed by the fitting procedure described in previous section.
In all cases, SNOM signals were successfully deduced by the fitting procedure, and the results summarized in Fig. 8.
Several solutions can be returned by the fitting procedure, and it is not clear how to discriminate between them.
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The EEM parameters for carbon, nitrogen, oxygen and hydrogen were derived by using the fitting procedure described by Njo et al.[14] The EEM parameters for the organic compounds were optimised to reproduce the MKS charges for proteins as reported by Cornell et al.[15] Fig. 1 shows the reproduction of the MKS protein charge distributions using the optimised EEM parameters (Table 1).
The choice of the immobile component was then checked by repeating the fitting procedure with a range of immobile components close to that chosen initially.
For all the parameters the overall values are shown in black while values corresponding to the three components, detected by the fitting procedures, appear in different colours: red, blue or green.
Subsequently, one can fit D and k1 separately to capture the decay in the refill phase, for instance during long HS-stimulations, by re-running the fitting procedure with all parameters (including RRP size and the product k1 D) fixed, except for D and k1, using both Equations (7) and (8).
The following 7 parameters were estimated by means of the fitting procedure: VZV-CMI waning rate, type of boosting scenario, duration of exogenous boosting, peak fold increase following exogenous boosting, VZV reactivation probability, FoR distribution and the peak fold increase following endogenous boosting.
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