There are plenty of capabilities to analyze properties
of materials in the X-ray Lab:
Plot measured XRD profiles by using software such
as X'Pert HighScore Plus, X'Pert Epitaxy, X'Pert Reflectivity, X'Pert
Texture, X'Pert Stress, and MaterialsStudio.
Simulate XRD spectra by modeling a material be
it powder, thin film or crystal utilizing capabilities of X'Pert
Epitaxy, X'Pert Reflectivity, and Materials Studio.
Compare calculated XRD profile to the experimental
data and fit theoretical spectra to the experimental one by changing
properties of modeled structure (X'Pert Epitaxy, Reflex/Materials
Studio, HighScore Plus)
Explore the Powder Diffraction File (PDF-4) the
largest and most complete collection of X-ray powder diffraction
patterns.
Simulate the properties of solids, interfaces,
and surfaces for a wide range of materials classes including ceramics,
semiconductors, and metals using CASTEP/Materials Studio - an ab
initio quantum mechanical program employing density functional theory
(DFT).
All software is installed on a separate computer
- "Simulation Station".
The "Simulation Station" computer is connected
via intranet to the User files on Philips X'Pert and Philips MRD
computers.