Using APEX2 to Analyze Twinned Crystals - Bruker AXS Support

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Data integration – SAINT • The intensity ESDs are equal for each spot component and correspond to the ESD of the aggregate intensity sum. • The additional intensity information has been added to increase the information available for scaling and absorption correction with TWINABS and subsequent structure solution and refinement using SHELXTL 05.05.2011 34
Data integration – SAINT integration options Twin overlap determination • Minimum common volume • Separation factor • Maximum range 05.05.2011 35
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 and 24: CELL_NOW for indexing • This is a
Page 25 and 26: Input for Cell_Now • Prepare refl
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: Data integration - SAINT • SAINT
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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