Comparative Study of Energy Dispersive X-ray Spectrum Deconvolution: PyMCA and WinAxil

ABSTRACT

A comparative study of spectrum deconvolution and quantitative analysis between PyMCA & WinAxil has been undertaken. Standard spectra of X-ray Kα lines (Ti, Fe, Co, Ni, Cu, Zn, As, Sr & Y) & Lα lines (Ce, Sm, Dy, Ta, W, Hg & U) were fitted with both software; also spectra of three soil samples were fitted with both software. Intensities of the elements of the standard spectra were obtained from the results of the fitting using both software and comparisons were made separately for both Kα & Lα lines between the two software. Sensitivity calibrations were done for both Kα & Lα lines and comparisons between the two software were also made. The intensities of the spectra of the three soil samples obtained from fitting using both software were also compared. Quantitative analysis of the spectra of the three soil samples was performed and the concentrations of the elements obtained using both software were compared.

A simple manual for spectrum fitting and quantitative analysis using PyMCA has been written for first-time users of the software (PyMCA); a flowchart for the manual has also been prepared. Comparison of intensities for Kα elements showed excellent agreement between the two software. The intensities of Lα elements obtained also compared favourably. Comparison of the concentrations of the elements in the spectra of the three soil samples showed excellent agreement. The X-ray spectrum fitting capabilities of PyMCA compare favourably with those of WinAxil. The development of WinAxil has been discontinued; therefore, PyMCA when appropriately adapted can be used in place of WinAxil for qualitative and quantitative analysis for spectra from X-ray tube excitation sources.