Collaborative Computational Project Number 14 (CCP14) For Single Crystal and Powder Diffraction (Freely Available Crystallographic Software for Students and Academia) Tutorials

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Single Crystal Diffraction Software If you have queries on the following, please feel free to contact the CCP14 Complete Single Crystal Software Suites including validation options WinGX Single Crystal Suite for Windows CRYSTALS for Windows   (Funding for the Crystals project will finish in June.) ORTEX for Windows Platon/System S for UNIX Olex2  A new project, still in development, that can run on any platform, customizable GUI and allows user defined functions. GSAS 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

Powder Diffraction Software If you have queries on the following, please feel free to contact the CCP14 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