Discovery of an energy-dependent many-body process in the Kβ spectrum of manganese metal using extended-range high-energy-resolution fluorescence detection with advanced structural insights from principal component analysis

Stephens, J.; Rijal, R.; Sier, D.; Tran, N.T.T.; Dean, J.W.; Di Pasquale, P.; Kirk, T.; Dao, M.; Tran, C.Q.; Hayama, S.; Diaz-Moreno, S.; Chantler, C.T.

doi:10.1107/S2052252525005573

Figure 6
Extracted satellite, obtained by averaging across the background-subtracted spectra for incident energies from 7840 to 8000 eV. This is then fitted empirically with a sum of Lorentzians, concentrated around prominent features in the data, to obtain a detailed initial guess for the structure of the satellite. Notable features include a main double peak and prominent low- and high-energy shoulders. Note that this extraction does not use the full data set but uses the strongest statistical representation of the new spectrum. Empirical extraction is prone to the propagation of systematic errors or noise which may distort the structure of novel spectral features. We thus turn to statistically rigorous methodologies in Section 5

to extract detailed structural insights.