Related ArticlesGeneralized reconstruction of n-D NMR spectra from multiple projections: application to the 5-D HACACONH spectrum of protein G B1 domain.
J Am Chem Soc. 2004 Feb 4;126(4):1000-1
Authors: Coggins BE, Venters RA, Zhou P
Reconstructing multidimensional NMR spectra from 2-D projections significantly reduces the time needed for data collection over conventional methodology. Here, we provide a generalization of the projection-reconstruction process to spectra of arbitrary dimensionality, using a concept of coordinate rotation to produce explicit expressions for reconstruction. These expressions allow one to reconstruct subsets of the higher dimensionality space without producing the full spectrum, permitting convenient analysis of the data. We demonstrate the effectiveness of these procedures in the reconstruction of the 5-D HACACONH spectrum of protein G B1 domain from 12 2-D projections collected in five experiments. We further demonstrate that the base spectra of GFT-NMR are equivalent to projections of the 5-D spectrum at fixed angles.
Application of iterative soft thresholding for fast reconstruction of NMR data non-uniformly sampled with multidimensional Poisson Gap scheduling
Application of iterative soft thresholding for fast reconstruction of NMR data non-uniformly sampled with multidimensional Poisson Gap scheduling
Abstract The fast Fourier transformation has been the gold standard for transforming data from time to frequency domain in many spectroscopic methods, including NMR. While reliable, it has as a drawback that it requires a grid of uniformly sampled data points. This needs very long measuring times for sampling in multidimensional experiments in all indirect dimensions uniformly and even does not allow reaching optimal evolution times that would...
[NMRpipe Yahoo group] Re: Propagating resonance positions to multiple spectra
Re: Propagating resonance positions to multiple spectra
If you are building individual peak tables for each plane of a 2D relaxation series, there's probably a better way to do the analysis. Have a look at the
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08-23-2011 05:31 PM
[NMRpipe Yahoo group] Propagating resonance positions to multiple spectra
Propagating resonance positions to multiple spectra
Hello, Is it possible in NMRPipe to: 1. Generate a peak table for a new spectrum using the resonance positions in an existing peak table? 2. Update the peak
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08-22-2011 05:26 PM
[Question from NMRWiki Q&A forum] NMRPipe: propagating resonance positions to multiple spectra
NMRPipe: propagating resonance positions to multiple spectra
Hello,
Is it possible in NMRPipe to:
Generate a peak table for a new spectrum using the resonance positions in an existing peak table?
Update the peak intensities in the existing peak table from the current spectrum?
I have a set of relaxation data, and currently to obtain peak heights at different delays I have to manually define the peaks in all HSQCs, which is rather time consuming. Furthermore, if I decide to re-process the spectra, the previously generated peak tables are useless, as the peak heights are read from...
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08-22-2011 05:22 AM
Measurement of multiple torsional angles from one-dimensional solid-state NMR spectra: application to the conformational analysis of a ligand in its biological receptor site.
Measurement of multiple torsional angles from one-dimensional solid-state NMR spectra: application to the conformational analysis of a ligand in its biological receptor site.
Measurement of multiple torsional angles from one-dimensional solid-state NMR spectra: application to the conformational analysis of a ligand in its biological receptor site.
Phys Chem Chem Phys. 2010 Nov 14;12(42):13999-4008
Authors: Edwards R, Madine J, Fielding L, Middleton DA
Knowledge of the three-dimensional structure of a ligand in the binding site of its biological...
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02-04-2011 11:34 AM
[NMR paper] Projection-reconstruction of three-dimensional NMR spectra.
Projection-reconstruction of three-dimensional NMR spectra.
Related Articles Projection-reconstruction of three-dimensional NMR spectra.
J Am Chem Soc. 2003 Nov 19;125(46):13958-9
Authors: Kupce E, Freeman R
When three-dimensional NMR spectra are presented as two stereoscopic images, they create a convincing three-dimensional impression for the viewer. In an extension of this principle, we record plane projections of a three-dimensional spectrum at different angles, and use this limited information to reconstruct the entire spectrum....