EXCURVE My data analysis strategy

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$Rietveld Refinement from Powder Diffraction Data - Max Planck ...$

Step 3 – EXAFS analysis EXAFS inspection –at ~6 Å -1 frequency of oscillations changes Lighter and heavier elements are present (combination of oxygen/nitrogen and sulfur? FT inspection – three main contributions ~1.8 Å and ~2.9 Å peaks indicate the presence of CO ligands ~2.3 Å distance is the typical iron – sulfur bond length Wolfram Meyer-Klaucke | IUCR | August 22 nd , 2011 | Page 18
How to run Excurve ? > How to do the refinement? • R data (Read in data) • If existing read parameter file for starting values (r par) • You might want to use phases, calculated before (I never do) R phases • Alternative: just type r (read starts above sequence) Wolfram Meyer-Klaucke | IUCR | August 22 nd , 2011 | Page 19
Page 1 and 2: EXCURVE My data analysis strategy W
Page 3 and 4: How to obtain it? Send an email to
Page 5 and 6: How to run Excurve ? > Installation
Page 7 and 8: [CuSMo] cluster in CODH 8 (A) Mo-K-
Page 9 and 10: 1. Look at your spectra > Raw XANES
Page 11 and 12: 2. Consider available information D
Page 13 and 14: 2. Consider available information >
Page 15 and 16: XAS Data Analysis Overview - an enz
Page 17: Step 2 - XANES analysis Fe K-edge X
Page 21 and 22: Run Excurve > c r1 2.00 change dist
Page 23 and 24: Part of the Script used to generate
Page 25 and 26: What happens if we use other struct
Page 27 and 28: EXAFS data analysis: The standard w
Page 29 and 30: 2 nd example: > This example will b
Page 31 and 32: Reanalysis of MX and EXAFS data for
Page 33 and 34: Many thanks for your attention Take
Page 35 and 36: Details: Column combination [12] ?
Page 37 and 38: http://www.diamond.ac.uk/dms/Beamli
Page 39 and 40: http://www.diamond.ac.uk/dms/Beamli
Page 41: http://www.diamond.ac.uk/dms/Beamli

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