Analysis of single or multiple diffraction
profiles represents a crucial part in diffraction data processing for experimental
materials science. The topic looks simple at first sight, but it soon becomes
complex when seeking the highest precision or dealing with complicated data.
Two years ago, we have introduced FitExc – diffraction profile fitting program written in MS
Excel. This lightweight yet complex tool, running immediately on any computer
equipped with MS Office, was proved to be able to deal with the precise
customizable fitting of 1D diffraction scans [1,2].
Now, we introduce a new version of the
program with upgraded functionality. We have increased the maximum amount of
profiles to be fitted at once, added new options for fitting strategy customization
(e.g., weighted least squares method), and introduced many tweaks making
the control of the program faster and more effective.
Altogether, we present an effective newly
upgraded tool for the analysis of single or multiple diffraction profiles measured
using a conventional powder diffractometer. Among others, applications of FitExc include
the precise evaluation of lattice parameters of single crystals, dealing with
overlapped reflections in multiphase samples or twinned crystals, processing of
data for residual stress analysis, thermal expansion analysis or even fitting
of q-scans [3]. The presented program is free to use and available upon request
− please contact the corresponding author if interested.
This work was supported by the Grant
Agency of the Czech Technical University in Prague [grant No.
SGS19/190/OHK4/3T/14].