Reflex
Reflex simulates X-ray, neutron, and electron powder diffraction patterns based on models of crystalline materials. Reflex aids the determination of crystal structure, assists the interpretation of diffraction data, and is applied to validate the results of experiment and computation. Applications include drug candidates, pigments, scale inhibition, and explosives.
Reflex will provide you with:
- Essential computational support for researchers investigating structures using powder diffraction
- Access to a novel
indexing algorithm X-Cell, along with three well known
and popular indexing algorithms,TREOR90,
DICVOL91, and ITO
- Four methods for refinement to aid
researchers in structure solution - Rietveld refinement
Rietveld with energies, Pareto optimization,
and modified Pawley refinement
- A tool for estimating the degree of crystallinity of a sample. This method analyzes coherent, amorphous, and background scattering contributions either based on a background subtraction or a quantitative phase analysis method.