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 6
Effect of the deconvolution algorithm on the PDOS of nitrosyl iron porphyrinate derivative (heme)[Fe(oep)NO] for NRIXS spectra measured out-of-plane [(a) OP; perpendicular to the porphyrin plane] and in-plane [(b) IP; parallel to the porphyrin plane] (Pavlik et al., 2010

). The blue curves are undeconvoluted data while the orange curves are the PDOS calculated from S(E) after deconvolution of the resolution function using the steepest descent method and 100 iterations. As shown in (b), peaks that would be unresolvable are clearly separated after deconvolution of the resolution function.

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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