Document Detail


Exploring signal-to-noise ratio and sensitivity in non-uniformly sampled multi-dimensional NMR spectra.
MedLine Citation:
PMID:  23274692     Owner:  NLM     Status:  MEDLINE    
Abstract/OtherAbstract:
It is well established that non-uniform sampling (NUS) allows acquisition of multi-dimensional NMR spectra at a resolution that cannot be obtained with traditional uniform acquisition through the indirect dimensions. However, the impact of NUS on the signal-to-noise ratio (SNR) and sensitivity are less well documented. SNR and sensitivity are essential aspects of NMR experiments as they define the quality and extent of data that can be obtained. This is particularly important for spectroscopy with low concentration samples of biological macromolecules. There are different ways of defining the SNR depending on how to measure the noise, and the distinction between SNR and sensitivity is often not clear. While there are defined procedures for measuring sensitivity with high concentration NMR standards, such as sucrose, there is no clear or generally accepted definition of sensitivity when comparing different acquisition and processing methods for spectra of biological macromolecules with many weak signals close to the level of noise. Here we propose tools for estimating the SNR and sensitivity of NUS spectra with respect to sampling schedule and reconstruction method. We compare uniformly acquired spectra with NUS spectra obtained in the same total measuring time. The time saving obtained when only 1/k of the Nyquist grid points are sampled is used to measure k-fold more scans per increment. We show that judiciously chosen NUS schedules together with suitable reconstruction methods can yield a significant increase of the SNR within the same total measurement time. Furthermore, we propose to define the sensitivity as the probability to detect weak peaks and show that time-equivalent NUS can considerably increase this detection sensitivity. The sensitivity gain increases with the number of NUS indirect dimensions. Thus, well-chosen NUS schedules and reconstruction methods can significantly increase the information content of multidimensional NMR spectra of challenging biological macromolecules.
Authors:
Sven G Hyberts; Scott A Robson; Gerhard Wagner
Publication Detail:
Type:  Comparative Study; Journal Article; Research Support, N.I.H., Extramural; Research Support, Non-U.S. Gov't     Date:  2012-12-29
Journal Detail:
Title:  Journal of biomolecular NMR     Volume:  55     ISSN:  1573-5001     ISO Abbreviation:  J. Biomol. NMR     Publication Date:  2013 Feb 
Date Detail:
Created Date:  2013-02-11     Completed Date:  2013-08-27     Revised Date:  2014-02-04    
Medline Journal Info:
Nlm Unique ID:  9110829     Medline TA:  J Biomol NMR     Country:  Netherlands    
Other Details:
Languages:  eng     Pagination:  167-78     Citation Subset:  IM    
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MeSH Terms
Descriptor/Qualifier:
Algorithms
Nuclear Magnetic Resonance, Biomolecular / methods*
Sensitivity and Specificity
Signal-To-Noise Ratio*
Grant Support
ID/Acronym/Agency:
EB002026/EB/NIBIB NIH HHS; GM047467/GM/NIGMS NIH HHS; GM094608/GM/NIGMS NIH HHS; P01 GM047467/GM/NIGMS NIH HHS; P41 RR006009/RR/NCRR NIH HHS; R01 AI037581/AI/NIAID NIH HHS; U54 GM094608/GM/NIGMS NIH HHS
Comments/Corrections

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