Automated information compression of XPS spectrum using information criteria

2022/06/22 by SHINOTSUKA, Hiroshi, YOSHIKAWA, Hideki, Murakami, Ryo +3
#Active Shirley method #Akaike information criterion (AIC) #Bayesian information criterion (BIC) #X-ray photoelectron spectroscopy (XPS)

paper · doi:10.48505/nims.3459

Abstract

We developed and implemented a fully automated method to perform X-ray photoelectron spectroscopy (XPS) spectral analysis based on the active Shirley method and information criteria. Our method searches a large number of initial fitting models by changing the degree of smoothing, and then optimizes the peak parameters and background parameters to obtain a large number of fitting results. The goodness of those optimized models is ranked using information criteria. As a result of applying this algorithm to measured XPS spectra, we found that, using the Bayesian information criterion (BIC), a simple model with reasonably good agreement and a moderate number of peaks was selected. The model selected by the BIC was close to the result of peak fitting performed by XPS analysis experts.

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