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Determining Atomic Structure

Olex2 (courtesy of Olex2)

Jaca Crystallography School Jaca, Spain June 2023
    • Jaca A02
    • Jaca A03
    • Jaca A04
    • Jaca A05
    • Jaca A06
    • Jaca B01
    • Jaca B01a
    • Jaca B02
    • Jaca B03
    • Jaca B05
Olex2-1.3
    • Refining Selected Atoms Anharmonically
    • How Many Q-Peaks?
    • Sucrose: Tweaking Hydrogen Atom Positions
    • Solvent Masking in Olex2-1.3
Olex2 Snippets
    • Omitting "Bad Reflections
    • Z and Z'
    • Adding and Editing Restraints and Constraints
    • Selection Basics
    • History Generation
    • Basic Refinement
Working with Olex2
    • First Steps With Olex2: Sucrose
    • Olex2 and ShelX
    • Modifying the Asymmetric Unit in Olex2
    • Olex2 and the Weighting Scheme
    • Solve and Assign in Olex2
    • MgTDC – Structure Determination With Olex2
    • THPP Without the Mouse
    • How Many Q-Peaks?
Olex2 Help
    • Olex2 and ShelX
    • Toluene Across a Symmetry Element: FragmentDB
    • Hirshfeld Atom Refinement in Olex2
    • Sucrose: Tweaking Hydrogen Atom Positions
Twinning
    • O084: A Twinning Example

 

PDB-101

Methods for Determining Atomic Structure
    • X-Ray Crystallography
    • NMR Spectroscopy
    • 3D Electron Microscopy

 

Rigaku (courtesy of Rigaku)

TOPIQ Webinars
    • Processing of a Twinned Data Set in CrysAlisᴾʳᵒ and Structure Solution in Olex²
    • XtaLAB Synergy-ED: Single Crystal Structures From Powders
    • 3D-ED in Pharmaceutical Compounds: Can We Measure Everything?
 
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    This initiative is supported with a grant from the American Institute of Physics

     
             
           

     

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