Deconvolution Mordenite Zeolite

The program deconvolutes IR spectra of mordenites

The program performs deconvolution of OH IR band of mordenite zeolite by 3 bands, calculates numbers of Bronsted acid sites in the corresponding positions and estimates the associated errors.

More details on the program may be found in the publication doi:xxxxx (will be added later, when the publication is accepted).

Input file format is XY, i.e. tab-separated 2 columns with wavenumbers (1/cm) and intensities (a.u.)

Contents:
- deconvolute3VtGUI.m - main GUI program for the deconvolution

- the function that perform the deconvolution

- voigtNormGLform.m - creates Voigt profile function corresponding with maximum intensity of 1, defined width and position

- complexErrorFunction.m and complexErrorFunction.m calculate comples error function and Voigt profile as kindly provided by Dr. F. Schreier. See doi 10.1016/j.jqsrt.2010.12.010 for more details regarding these functions