Using APEX2 to Analyze Twinned Crystals - Bruker AXS Support

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CELL_NOW for indexing • The reflections that do not fit the first twin domain can be used to search for a second domain. The cell for the first domain is rotated to give a good fit to as many of these reflections as possible. • The rotation required (often 180° about a real or reciprocal axis) provides a description of the type of twinning. • After assigning reflections to the second domain, the reflections that do not fit either domain may be used to search for a third domain etc. in the same way. • Cell_now can write the multidomain .p4p file needed for integration of such twins with SAINT. 05.05.2011 24
Input for Cell_Now • Prepare reflection array in APEX2 • 800-1200 reflections • Welldistributed in space • Write .p4p file • Open command prompt • Sample � Run Command… 05.05.2011 25
Page 1 and 2: Using APEX2 to Analyze Twinned Crys
Page 3 and 4: What are twins? • Twins are regul
Page 5 and 6: Types of twins - Partial merohedral
Page 7 and 8: Types of twins - Merohedral Twin
Page 9 and 10: Partial-Merohedral Twin - Twin oper
Page 11 and 12: “Anthra” - A Partial Merohedral
Page 13 and 14: “Anthra” - Indexing • Indexin
Page 15 and 16: “Anthra” - Visual Indexing •
Page 21 and 22: “Anthra” - Unit cell overlay
Page 23: CELL_NOW for indexing • This is a
Page 27 and 28: Cell_Now: Candidate Cells ---------
Page 29 and 30: Cell_Now: Search for Second Domain
Page 31 and 32: Input for APEX2 • Prepare reflect
Page 33 and 34: Data integration - SAINT • SAINT
Page 35 and 36: Data integration - SAINT integratio
Page 37 and 38: Data integration - SAINT integratio
Page 39 and 40: Data integration - SAINT refinement
Page 41 and 42: TWINABS for absorption correction a
Page 43 and 44: TWINABS: data processing PART 1 - R
Page 45 and 46: TWINABS: reject outliers 1808 total
Page 47 and 48: TWINABS: prepare .hkl files Generat
Page 49 and 50: Final Results Refinement against HK
Page 51: © Copyright © 2011 Bruker Bruker

Using APEX2 to Analyze Twinned Crystals - Bruker AXS Support

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