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High-accuracy High-Resolution Measurements of Fluorescence in Manganese Using Extended-Range High-Energy-resolution Fluorescence Detection

Daniel Sier, Nicholas T. T. Tran,Tony Kirk,Chanh Q. Tran, J. Frederick W. Mosselmans, Sofia Diaz-Moreno,Christopher T. Chantler

Journal of Applied Crystallography(2025)

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Abstract
The technique of extended-range high-energy-resolution fluorescence detection (XR-HERFD), developed from X-ray absorption spectroscopy, X-ray emission spectroscopy and resonant inelastic X-ray scattering (RIXS), has been used to successfully observe a new X-ray fluorescent satellite in manganese. The experimental methodology, spectral processing and analysis, and how statistical information and structure can be defined, extracted and used from HERFD spectra are detailed. Novel approaches to measure and improve accurate data uncertainty in XR-HERFD, HERFD and RIXS data sets are also presented. This includes definitions of intrinsic resolution and improvements to the resolution of the output and data by a factor of two relative to raw data or standard processing. Novel systematics common in HERFD and RIXS experiments are detailed, including background subtraction and elastic Bragg harmonics, with approaches to dealing with them.
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