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XAFS Data Booklet Proposal

XAFS Data Booklet Proposal. Raúl Barrea and Tsu-Chien Weng BioCAT, IIT 03-22-2005. Why Another Booklet?. Official guideline from IXS to standardize sample preparation, XAFS measurement, data analysis, and report format Educational purpose Advertisement for IXS and APS. Things to Discuss.

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XAFS Data Booklet Proposal

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  1. XAFS Data Booklet Proposal • Raúl Barrea and Tsu-Chien Weng • BioCAT, IIT • 03-22-2005

  2. Why Another Booklet? • Official guideline from IXS to standardize sample preparation, XAFS measurement, data analysis, and report format • Educational purpose • Advertisement for IXS and APS

  3. Things to Discuss • Booklet contents • Contributors • Funding • Distribution • Publishing timeline

  4. Booklet Outline • X-ray Properties of the Elements • XAFS Basics • Guideline for Sample Preparation • XAFS Experiments • Data Analysis • Report Format • XAFS Beamlines

  5. 1. X-ray Properties of the Elements • X-ray absorption edge and emission energies • Mass absorption coefficients

  6. 2. XAFS Basics • History • Theory • EXAFS and XANES • Capabilities and limitations • Applications

  7. 3. Guideline for Sample Preparation • Solid sample • thickness (self-absorption) • packing (pin hole effect) • Solution sample • contamination from free metal ions • background from buffers (Cl, P, etc.) • Drawing of sample cells

  8. 4. XAFS Experiments • X-ray optics • high-order harmonics (detuned, rejection) • energy calibration • Sample cell • cryostat, high-pressure, solution, etc. • radiation damage • Detectors • absorption (ion-chamber, PSD) • fluorescence excitation (SSD, bent Laue, MAAD, crystal mirror) • energy resolution, ICR

  9. 5. Data Analysis • Energy calibration • Background subtraction and normalization • EXAFS data interpretation • choice of model • degree of freedom

  10. 6. Report Format • Experiment details • beamline(s), x-ray optics • means of energy calibration • sample preparation (thickness, buffers) • fluorescence window size • scan time, count-rates • Data analysis • threshold energy • degree of freedom vs. num of variables • (reduced) goodness of fit

  11. 7. XAFS Beamlines • Characteristics of each XAFS beamline • source (BM, ID) • energy range • spot size (unfocused, focused) • sample cell (cryostat, high-pressure, etc.) • detector(s) • specialties (time-resolved, RIXS, etc.)

  12. Things to Discuss • Booklet contents • Contributors • Funding (APS? DOE? Private companies?) • Distribution (hardcopy, electronic) • Publishing timeline (9-12 months?)

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