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The lack of theoretical understanding of X-Ray Absorption Near Edge Structure(XANES) spectroscopy makes the development of analysis tools for its study anecessity. Here, an algorithm for judicious choice of local minima and maximapoints of XANES spectrum (experimental or simulated) is proposed, without anyloss of information on peaks location nor on peak strength. We call it theRising Sun Envelope Method, since it is based on successive regularizations ofthe spectral measurement that, according to parameter choices that areintrinsic to the measurements, keep peaks location and strength as invariants.This is the first method that finds peaks in XANES automatically, withoutdepending on first derivative information. Nevertheless, a direct computationof Absorption-Edge is provided, where we avoid the issue inflection pointcomputations based on the XANES second derivative, dealing instead with simplercomputations of inflection points of higher quality cubic spline approximation.Besides applications of the algorithm to XANES, we illustrate furtherapplications in Electron Energy Loss Spectroscopy (EELS) and Raman spectra.

The Rising Sun Envelope Method: an automatic and accurate peak location technique for XANES measurements