Software
iFit
The iFit library (pronounce [eye-fit]) is a set of methods to load, analyse, plot, fit and optimize models, and export results. iFit is based on Matlab, but can also be launched without Matlab license (stand-alone version).Matlab It does not currently include advanced graphical user interfaces (GUI), and rather focuses on doing the math right. Any text file can be imported straight away, and a set of binary files are supported. Any data dimensionality can be handled, including event based data sets (even though not all methods do work for these). Any model can be assembled for fitting data sets. Last, a number of routines are dedicated to the analyses of S(q,w) and S(alpha,beta). More advanced features include the full automation to compute phonon dispersions in materials, using DFT codes such as ABINIT, ELK, VASP, QuantumEspresso, GPAW and more (Models/sqw_phonons). The software can also compute the neutron TAS resolution function (4D) and fits to experimental data with full resolution convolution (ResLibCal). An interface for McStas and McXtrace is also available to automate and optimize instrument simulations.
XRDUA
software package developed by the Antwerp X-ray Imaging/Instrumentation Laboratory (AXiL) at the University of Antwerp. Its main purpose is to automate the processing of two dimensional x-ray diffraction images from scanning micro-XRPD or micro-XRPD tomography. It accepts images from flat area detectors and allows correction, calibration and modeling (Rietveld, Pawley, Pattern Decomposition). The primary goal is to visualize crystalline phase distributions in projection (2D scanning) or in a virtual cross section (tomography) of the object under investigation. Apart from the amount of material, structural properties and their changes within the object can be calculated and visualized as well.
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