Automated Peak Fitting Routine for XPS data from wood

The script allows to systematically fit high resolution XPS C1s spectra obtained from wood and other lignocellulosic materials.  The code is particularly useful when fitting a large number of data files. 

Here, python curve fitting functions from the lmfit library are used to deconvolute the spectra into four peaks using a Python routine.  First, the Shirley background of each curve is calculated and subtracted from the data, which are then fitted.  Each peak is fitted with either a Pseudo-Voigt or a Lorentzian, and the area under each peaks is calculated using numpy's trapezoid function.  The integrated areas are then normalized using the transmission function (in this case for an Aluminum K-alpha instrument) and then the relative contribution of each peak is calculated.