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231223s2006 xx ||||| 00| ||eng c |
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|a (NLM)16566032
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|a DE-627
|b ger
|c DE-627
|e rakwb
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|a eng
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| 100 |
1 |
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|a Yoon, Ji Won
|e verfasserin
|4 aut
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|a Deterministic and statistical methods for reconstructing multidimensional NMR spectra
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|c 2006
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|a Text
|b txt
|2 rdacontent
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|a ohne Hilfsmittel zu benutzen
|b n
|2 rdamedia
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|a Band
|b nc
|2 rdacarrier
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| 500 |
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|a Date Completed 28.04.2006
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|a Date Revised 27.03.2006
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|a published: Print
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|a Citation Status PubMed-not-MEDLINE
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|a Reconstruction of an image from a set of projections is a well-established science, successfully exploited in X-ray tomography and magnetic resonance imaging. This principle has been adapted to generate multidimensional NMR spectra, with the key difference that, instead of continuous density functions, high-resolution NMR spectra comprise discrete features, relatively sparsely distributed in space. For this reason, a reliable reconstruction can be made from a small number of projections. This speeds the measurements by orders of magnitude compared to the traditional methodology, which explores all evolution space on a Cartesian grid, one step at a time. Speed is of crucial importance for structural investigations of biomolecules such as proteins and for the investigation of time-dependent phenomena. Whereas the recording of a suitable set of projections is a straightforward process, the reconstruction stage can be more problematic. Several practical reconstruction schemes are explored. The deterministic methods-additive back-projection and the lowest-value algorithm-derive the multidimensional spectrum directly from the experimental projections. The statistical search methods include iterative least-squares fitting, maximum entropy, and model-fitting schemes based on Bayesian analysis, particularly the reversible-jump Markov chain Monte Carlo procedure. These competing reconstruction schemes are tested on a set of six projections derived from the three-dimensional 700-MHz HNCO spectrum of a 187-residue protein (HasA) and compared in terms of reliability, absence of artifacts, sensitivity to noise, and speed of computation
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|a Journal Article
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|a Godsill, Simon
|e verfasserin
|4 aut
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|a Kupce, Eriks
|e verfasserin
|4 aut
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| 700 |
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|a Freeman, Ray
|e verfasserin
|4 aut
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|i Enthalten in
|t Magnetic resonance in chemistry : MRC
|d 1985
|g 44(2006), 3 vom: 20. März, Seite 197-209
|w (DE-627)NLM098179667
|x 1097-458X
|7 nnns
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| 773 |
1 |
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|g volume:44
|g year:2006
|g number:3
|g day:20
|g month:03
|g pages:197-209
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|d 44
|j 2006
|e 3
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|c 03
|h 197-209
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