Steps in Structure Determination

The following sections include a brief introduction to the steps involved in small molecule crystal structure determination.

Outline of Major Steps

1. Collect Intensity Data
2. Correct Intensity Data, Data Reduction
3. Determine the Space Group
4. Solve the Crystal Structure
5. Complete and Refine the Structure
   
   • Disorder
   • Crystal Twinning
   • Structure Checklist
6. Report the Crystal Structure
7. Evaluate a Crystal Structure

Dept. of Chemistry & Biochemistry | University of Oklahoma

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Last modified October 23, 2009
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