EXCURVE My data analysis strategy

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

Basic concept: XAS- Project Pdb Model compounds Single sample Series of samples (mutations, oxidation State, etc) Try to be very structured In your <strong>data</strong> <strong>analysis</strong>. And be very careful Wolfram Meyer-Klaucke | IUCR | August 22 nd , 2011 | Page 6
[CuSMo] cluster in CODH 8 (A) Mo-K-edge 2 O experimental calculated 30 χ(k) x k 3 / Å -3 4 0 -4 1 S 2 S 1 O 1 Cu 20 10 FT [χ(k) x k 3 ] Structural model: (oxidized form) -8 0 4 6 8 10 12 140 1 2 3 4 5 k / Å -1 r / Å 6 4 6 8 10 12 (B) Cu-K-edge 0 1 2 3 4 5 30 2 S χ(k) x k 3 / Å -3 3 0 -3 1 Mo 20 10 FT [χ(k) x k 3 ] -6 0 Binuclear cluster Gnida et al. Biochemistry, 2003 see also: Dobbek et al., PNAS , 15971 (2002) Wolfram Meyer-Klaucke | IUCR | August 22 nd , 2011 | Page 7
Page 1 and 2: EXCURVE My data analysis strategy W
Page 3 and 4: How to obtain it? Send an email to
Page 5: How to run Excurve ? > Installation
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 and 18: Step 2 - XANES analysis Fe K-edge X
Page 19 and 20: How to run Excurve ? > How to do th
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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