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Mercury is a freeware developed by the Cambridge Crystallographic Data Centre, originally designed as a crystal structure visualization tool. Mercury helps three dimensional visualization of crystal structure and assists in drawing and analysis of crystal packing and intermolecular interactions. [1]
MM XRD: Free open-source: Java 3D applet or standalone program: Ovito: MM XRD EM MD: Free open-source: Python [13] [14] PyMOL: MM XRD SMI EM: Open-source [15] Python [16] [self-published source?] According to the author, almost 1/4 of all published images of 3D protein structures in the scientific literature were made via PyMOL. [citation ...
Materials Data creates JADE software used to collect, analyze, and simulate XRD data and solve issues in an array of materials science projects. In 2020, the ICDD and the Cambridge Crystallographic Data Centre, which curates and maintains the Cambridge Structural Database, announced a data partnership.
Olex [1] [2] and Olex2 [3] [4] are versatile software for crystallographic research. Olex used to be a research project developed during PhD to implement topological (as connectivity) analysis of polymeric chemical structures and still is widely used around the world.
When Wilhelm Röntgen discovered X-rays in 1895 [1] physicists were uncertain of the nature of X-rays, but suspected that they were waves of electromagnetic radiation.The Maxwell theory of electromagnetic radiation was well accepted, and experiments by Charles Glover Barkla showed that X-rays exhibited phenomena associated with electromagnetic waves, including transverse polarization and ...
X-ray diffraction computed tomography is an experimental technique that combines X-ray diffraction with the computed tomography data acquisition approach. X-ray diffraction (XRD) computed tomography (CT) was first introduced in 1987 by Harding et al. [1] using a laboratory diffractometer and a monochromatic X-ray pencil beam.
The most common powder X-ray diffraction (XRD) refinement technique used today is based on the method proposed in the 1960s by Hugo Rietveld. [2] The Rietveld method fits a calculated profile (including all structural and instrumental parameters) to experimental data.
Miniflex is an X-ray diffraction (XRD) analytical measuring instrument produced by Rigaku.The current instrument is the fourth in a series introduced in 1973. Original Miniflex - ca. 1973 2nd Generation Miniflex - ca. 1976 3rd Generation Miniflex - ca. 1995
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