A method of analysis of X-ray spectra in an instrument fits a measured sample spectrum using a combination of at least one measured reference spectrum with at least one calculated function. The method includes measuring a reference spectrum as a plurality of measured values for a plurality of energy bins from at least one reference sample; selecting a region or multiple regions of interest corresponding to a plurality of the energy bins and, for each region of interest, recording the profile for the respective plurality of energy bins from the measured reference spectrum. The method further comprises measuring a sample spectrum as a plurality of intensity values for a plurality of energy bins; and fitting the measured sample spectrum to a fit function, the fit funtion including the at least one profile in at least one respective region of interest of the measured spectrum as well as the at least one calculated function.
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