This function mimics the behaviour of the fluorescent scan operated at synchrotron beamlines to find out the optimal wavelength which maximises the anomalous signal used to phase a structure.
1- or 2-letters character string. The chemical symbol of interest.
Real vector of length 2. The two values are the extremes of the wavelength window inside which to carry out the search. Default is for the search to be carried out across the full available range.
A named list with two elements: 1) idx is the integer indicating the row in the anomalous_data dataframe related to the specific chemical element, corresponding to the optimal wavelength; 2) the optimal wavelength in angstroms.
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# Optimal wavelength for iron lFe <- fluorescent_scan("Fe") print(lFe$lambda) idx <- lFe$idx # Load anomalous dataframe for Fe adFe <- load_anomalous_data("Fe") print(adFe[idx,]) # Same wavelength as before! # Optimal wavelength with window restriction lFe <- fluorescent_scan("Fe",lambda_range=c(6,8)) print(lFe$lambda)
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