quantorxs 0.1

XANES quantification of functional group abundances

QUANTORXS is an opensource program to automatically analyze X-ray spectroscopy spectra of Carbon, Nitrogen and Oxygen K-edges edges to quantify the concentration of functional groups and the elemental ratios N/C and O/C using a novel quantification method that will soon be pusblished in a peer-reviewed scientific article.

QUANTORXS performs the following tasks automatically:

• Load the data from the file(s)

• Remove background

• Normalize the spectra

• Generate a model of the fine structure a fit it to the experimental data

• Calculate the functional groups abundances and elemental rations from the results of the fit

• Generate an Excel file and multiple figures with the results and normalised spectra files.

For the full documentation go to QuantORXS’ GitHub repository.