Automated Relaxation Times and NOE Measurements on FT NMR Spectrometer
Author Information
Author(s): Jean-Paul Lemaire, Bernard Tiffon, Bernard Ancian
Primary Institution: Institut de Topologie et de Dynamique des Systemes de l'UniversitParis VII, associau CNRS
Conclusion
The study presents new data-processing routines that improve the reliability of relaxation time and NOE measurements on FT NMR spectrometers.
Supporting Evidence
- The study shows that the two-parameter fit provides consistent results for line heights and areas.
- The three-parameter fit is necessary for T2 measurements due to the CPMG base line.
- Accurate measurement of line heights or areas is critical for NOE calculations.
Takeaway
This study created new computer routines to help measure how fast certain particles relax in a special machine called an NMR spectrometer, making the measurements more accurate.
Methodology
The study developed two and three-parameter non-linear least-squares fitting routines for measuring relaxation times and NOE enhancement factors.
Limitations
The routines require a minimum knowledge of basic NMR software and are dependent on the initial search interval for optimal values.
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