- Free Softwares Develoed by Collaborative Computational Project Number 14 for Single Crystal and Powder Diffraction (CCP14)
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the lists of available softwares are as following.
1. Single Crystal Diffraction Software: Complete Single Crystal Software Suites including validation options; WinGX Single Crystal Suite for Windows; CRYSTALS for Windows; ORTEX for Windows; Platon/System S for UNIX; GSAS for UNIX and Windows; Single Crystal Structure Solution; Single Crystal Structure Refinement; Single Crystal Twinning; 2D to 3D Model Building and Molecular Modelling; CCD Control and CCD Processing; Face Indexing Absorption Correction and Viewing of Crystals; Structure Conversion and Transformation; Structure Drawing and Visualisation; Incommensurate/Modulated Structure solution and refinement; Anharmonic Thermal Refinement; Bond Length and Bond Angle Calculation; Bond Valence Calculations.
2. Powder Diffraction Software: Structure Solution from Powder Diffraction; Some pathways for Structure Solution from Powder Diffraction; Search-Match phase Identification; Powder Diffraction Data Conversion / Interconversion; Powder Diffraction Data Visualisation; Peak finding and Peak Profiling; Powder Indexing (finding a unit cell from powder data); Unit Cell Refinement; Le Bail Whole Profile Fitting; Pawley Whole Profile Fitting; Rietveld Refinement; Restrained Rietveld Structure Refinement of Organics; View Fourier Maps from Rietveld Refined Data; Structure Conversion and Transformation; Structure Drawing and Visualisation; Modelling of Amorphous Materials; Incommensurate/Modulated Structure solution and refinement; Anharmonic Thermal Refinement; Bond Length and Bond Angle Calculation; Bond Valence Calculations; Pole Figure and Texture Analysis Software; Polyhedral Volume Calculations; High Q Powder Diffraction Analysis for PDF/Local Order Determination; TOF (Time of Flight) Neutron Diffraction; Variable Count Time (VCT) Data Collection for Powder Diffraction; Integration of Image Plate Data.
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