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CEAD: Enhancing Automated Data Analysis in Crystallography

The COMPRES Environment for Automated Data analysis (CEAD) aims to establish a comprehensive environment for automated data analysis within crystallography. Spearheaded by experts from Virginia Tech, LBNL, and other institutions, the CEAD project focuses on developing robust procedures, rolling out the platform to users, and seeking long-term funding. With ongoing evaluations of methods like Radial Integration and Pattern Decomposition, CEAD promises to enhance data presentation and accessibility, pushing forward the frontiers of data analysis in crystallographic research.

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CEAD: Enhancing Automated Data Analysis in Crystallography

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  1. The COMPRES Environment for Automated Data analysis (CEAD). Nancy Ross and Ross Angel, Crystallography Laboratory, 3076 Derring Hall, Virginia Tech, Blacksburg, VA 24060 Simon Clark and Paul Adams, Advanced Light Source, LBNL, 1 Cyclotron Road, Berkeley, CA94720 John Parise, Department of Geosciences, Department of Chemistry, State University of New York, NY 11794-2100 Mark Rivers, The Uni. of Chicago, Argonne National Laboratory, Bld. 434A, 9700, South Cass Ave, Argonne, IL 60439

  2. CEAD project plan Appoint developer Implement other procs. Year 1 Develop environment Roll out to users Implement first procedure Apply for long term funding Year 2

  3. Jinyuan Yan

  4. Images Fit2d Radial Integration OK? No Yes GSAS Pattern Decomposition OK? No Yes EXCEL Data Presentation OK? Yes No End Initial implementation

  5. Future • Six months left of COMPRES funding • Roll out CEAD to: • Facilities • Labs • Look for other potential applications • Decide whether to continue the program • See poster/demonstration input welcome

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