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XAFS Data Booklet Proposal

This booklet, authored by Raúl Barrea and Tsu-Chien Weng from BioCAT, IIT, serves as an official guideline from IXS aimed at standardizing sample preparation, XAFS measurement, data analysis, and reporting formats. Designed for educational purposes, it outlines essential content including X-ray properties, basics of XAFS, sample preparation guidelines, experimental procedures, data analysis techniques, and report structuring. The booklet also details the various XAFS beamlines and their characteristics. Contributions span across funding, distribution, and publishing timelines.

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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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