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

More documents

Recommendations

Info

Ratio of intensity of main reflection to satellites • The relative intensity of the satellite reflections is the highest <strong>for</strong> the data collected at -123° C • Satellites become relatively weaker at lower temperatures • What would happen at -270 ° C 53° C -123° C -193° C 2/27/2013 12
How to better describe the structure? • Take the satellites into account <strong>and</strong> quadruple the a-axis • Symmetry is now decreased from orthorhombic to monoclinic • Spacegroup changes from P2 1 2 1 2 1 to P2 1 • Twinning is introduced as a 180° rotation about the c-axis • Structure refines to R1=2.48% • Modulation becomes quite obvious 2/27/2013 13
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: A closer look at how the satellites
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 and 22: Types of Modulated Structures Comme
Page 23 and 24: Identifying the main lattice (1)
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 64 and 65:
Page 66 and 67:
Page 68:
show all

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

Create successful ePaper yourself

Delete template?

Save as template?