Unit Cell Refinement

If the crystal symmetry and unit cell are known, the unit cell dimensions can be refined as follow:

1. Pick peaks using

• • Analyze -> Find Peaks (F2) and/or

  • Peak editing cursor (pick peaks with left button, delete them with right 

2. Refine the cell with Options -> Cell Refinement (Shift+Option+F4)

• • Pick lattice symmetry/space group

  • Enter approximate cell dimensions and click 'Calc'

  • Adjust until 'Refine' is not grayed out, then click 'Refine'

Comments

• • Accurate cell dimensions will depend on accurate peak positions