GUARDD: User-friendly MATLAB software for rigorous analysis of relaxation-dispersion NMR data.

Required Software

• MATLAB
• MATLAB Optimization Toolbox
• MATLAB Curve Fitting Toolbox
• MATLAB Statistics Toolbox
• GUARDD
• Matlab .m and .fig files

Notes

• The GUARDD tutorial walks users through the basic features of the program
• The GUARDD manual contains practical and theoretical considerations of relaxation-dispersion NMR

Table of Contents

• Tutorial
  • General notes
  • Download and unpack files
  • Ensure proper directory structure
  • Start GUARDD
  • Load data
  • Create groups for fitting
  • Select groups that exhibit exchange
  • Fit RD data
  • Fit simple group manually
  • Save GUARDD session to file
  • Fit multi-temperature group manually
  • Examine rate analysis (vant Hoff and Arrhenius)
  • View fits to RD data
  • Create and fit a multi-curveset, multi-temperature group manually
  • Perform batch task
  • Time for a break?
  • Assess quality of fit
  • Load GUARDD session with data already fit
  • Document notes for organization
  • Export data and groups
  • Simulate and export RD data
• Manual
  • Scientific questions addressed by RD NMR
  • Chemical exchange phenomenon
  • The RD experiment refocuses chemical exchange broadening R_ex
  • Two-state exchange model
  • Assigning parameters for fitting
  • Organizing data
  • General Use
  • GUARDD Graphical Interface
  • Tips for optimal use
  • Limitations
  • Feedback, Suggestions, Bugs
  • Computational procedures
  • References/Further Reading

Acknowledgements

• Foster Lab members for debugging during development
• Advisor: Prof. Mark Foster
• The Ohio State University Biochemistry Dept.
• The Ohio State University Biophysics Program
• The Ohio State University
• National Institutes of Health

Citing GUARDD

GUARDD manuscript

Please cite your usage of GUARDD in BOTH ways

1. Kleckner, I. R., & Foster, M. P. (2012). GUARDD: user-friendly MATLAB software for rigorous analysis of CPMG RD NMR data. Journal of biomolecular NMR, 52(1), 11–22. doi:10.1007/s10858-011-9589-y
2. http://code.google.com/p/guardd/

Author

• Ian Kleckner: http://ianrobertkleckner.blogspot.com
• Work completed as part of PhD Dissertation Mark Foster’s Lab The Ohio State University Columbus, OH, USA

Indices and tables

• Index
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