Data Collection and Data Reduction Techniques for ... - Bruker

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Supercells In the commensurate case, we can use a regular three-dimensional description as the basic vectors can be transformed into a proper supercell. However, such an approach may not be convenient as satellites are often very weaker and the number of observable reflections may not be sufficient to solve and refine the structure in a supercell. 2/27/2013 22
Identifying the main lattice (1) • Harvested reflections from 300 frames using APEX2 software – about 4000 reflection • Display reflections in RLATT • Identify main lattice • Select main lattice reflections 2/27/2013 23
Page 1 and 2: Data Collection and Data Reduction
Page 3 and 4: Dr. Charles Campana - Senior Applic
Page 5 and 6: Pseudoephedrine Hydrochloride in th
Page 7 and 8: Pseudoephedrine at Low Temperature
Page 9 and 10: Diffraction pattern at varying temp
Page 11 and 12: A closer look at how the satellites
Page 13 and 14: How to better describe the structur
Page 15 and 16: Two-dimensional periodic arrangemen
Page 17 and 18: Two-dimensional periodic arrangemen
Page 19 and 20: Defining the modulation vector q -
Page 21: Types of Modulated Structures Comme
Page 25 and 26: Identifying the main lattice (3)
Page 27 and 28: Indexing the main lattice • Defin
Page 29 and 30: Defining the satellites - q vector
Page 31 and 32: Data integration • The q-vector i
Page 33 and 34: Structure refinement in Jana 2006
Page 35 and 36: Collection of Modulated Structure D
Page 37 and 38: Harvest Reflections • Reflections
Page 39 and 40: Refinement of the initial unit cell
Page 41 and 42: Refinement of the I-centered orthor
Page 43 and 44: RLATT view of the I-centered unit c
Page 45 and 46: Integration of data with one q-vect
Page 47 and 48: Format of JANA2006-compatible .hk6
Page 49 and 50: Pseudo precession image - h1l 2/27/
Page 55 and 56: Structure refinement The structure
Page 57 and 58: Animated conformation changes • C
Page 59: Jana2006 Tutorial 2/27/2013 59
Page 62 and 63: Importing of Bruker data into Jana2
Page 68: Importing of Bruker data into Jana2

Data Collection and Data Reduction Techniques for ... - Bruker

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