XRD fitting

Click on the bottom "Open xy, txt, dat or csv" to open a file with 2θ and count data. Click on the bottom "Baseline fit" to remove amorphous and background areas.

At this point, the user can change the number of iterations, peak height and peak distance. It is necessary to select the peaks which the user wants to adjust. In figure X, 8 peaks were selected.

Choose “Single peak fit” or “Multiple peak fit” and in the plot window labeled -⏺- Data, press the left mouse button and drag to select a region of interest. Only for Multiple peak fit is necessary to select a region with previous peaks selected.

Click on “Gaussian fit”, “Lorentzian fit” or “Pseudo-Voigt fit” to fit the selected peak or peaks.

The output 2θ, FWHM, δ(2θ) and δ(FWHM) for each fitted peak, can be saved in a .pfwhm file. PCrystalX uses this file format in Caglioti, Scherrer and Williamson-Hall.

PL Bernardo

Associate Professor

Laboratory of Physical Sciences – LCFIS

Center of Sciences and Technology – CCT

State University of Northern Rio de Janeiro – UENF

Av. Alberto Lamego, 2000 - Parque Califórnia

Campos dos Goytacazes, RJ, Brazil

pablolb@uenf.br

pcrystalx@pcrystalx.com