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MM XRD MD: Free open-source, GPL C++, Qt, extensible via Python modules BALL: Molecular dynamics MM NMR: LGPL open-source: Standalone program [7] Cn3D: Free open-source: Standalone program [8] In the NCBI C++ toolkit Coot: XRD: Free open-source: Gabedit: XRD MM: Free open-source: C [9] Jmol: Free open-source: Java (applet or standalone program ...
This is useful if the sample is too thick for X-rays to transmit through it. The diffracting planes in the crystal are determined by knowing that the normal to the diffracting plane bisects the angle between the incident beam and the diffracted beam. A Greninger chart can be used [30] to interpret the back reflection Laue photograph.
To determine the crystallographic orientation of the grains in the considered sample, the following software packages are in use: Fable [8] and GrainSpotter. [9] Reconstructing the 3D shape of the grains is nontrivial and three approaches are available to do so, respectively based on simple back-projection, forward projection, algebraic ...
Free 3D visualization and communication software for integrated, multi-disciplinary geoscience and mining data and models, which also connects to Python through geoh5py, its open-source API Mira Geoscience Ltd. Free / Proprietary Microsoft Windows: C++: Free license key is automatically emailed upon request, and the software is permanently free
A powder X-ray diffractometer in motion. X-ray crystallography is the experimental science of determining the atomic and molecular structure of a crystal, in which the crystalline structure causes a beam of incident X-rays to diffract in specific directions.
Biological data visualization is a branch of bioinformatics concerned with the application of computer graphics, scientific visualization, and information visualization to different areas of the life sciences.
Rietveld refinement is a technique described by Hugo Rietveld for use in the characterisation of crystalline materials. The neutron and X-ray diffraction of powder samples results in a pattern characterised by reflections (peaks in intensity) at certain positions.
Here () is the reflectivity, = /, is the X-ray wavelength (e.g. copper's K-alpha peak at 0.154056 nm), is the density deep within the material and is the angle of incidence. The Fresnel reflectivity, R F ( Q ) {\displaystyle R_{F}(Q)} , in the limit of small angles where polarization can be neglected, is given by: