SciPhon: a data analysis software for nuclear resonant inelastic X-ray scattering with applications to Fe, Kr, Sn, Eu and Dy

Dauphas, N.; Hu, M.Y.; Baker, E.M.; Hu, J.; Tissot, F.L.H.; Alp, E.E.; Roskosz, M.; Zhao, J.; Bi, W.; Liu, J.; Lin, J.-F.; Nie, N.X.; Heard, A.

doi:10.1107/S1600577518009487

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Figure 4
Effect of deconvolution of the resolution function on NRIXS spectra and phonon density of states. (a) Synthetic NRIXS spectrum calculated from a Debye PDOS with an energy cutoff of 30 meV (black curve) that was convoluted with a Gaussian-shaped resolution function (FWHM of 2 meV) and to which Poisson noise was added (blue curve). (b) Close-up of the NRIXS spectrum near the elastic peak after no deconvolution (blue curve) and deconvolution using the steepest descent with 10 (red curve) and 100 (orange curve) iterations. (c) Calculated PDOS from the synthetic NRIXS spectrum with or without deconvolution compared with the input Debye PDOS. A deconvolution using the steepest descent method and 10 iterations is a good trade off between accuracy (the peak in the PDOS at 30 meV is better reproduced) and noise amplification (see text for details).

JOURNAL OF
SYNCHROTRON
RADIATION

ISSN: 1600-5775

Volume 25| Part 5| September 2018| Pages 1581-1599

https://doi.org/10.1107/S1600577518009487

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