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  Relax, a flexible program for the back calculation of NOESY spectra based on complete-relaxation-matrix formalism

Görler, A., & Kalbitzer, H. R. (1997). Relax, a flexible program for the back calculation of NOESY spectra based on complete-relaxation-matrix formalism. Journal of Magnetic Resonance, 124(1), 177-188. doi:10.1006/jmre.1996.1033.

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Item Permalink: http://hdl.handle.net/11858/00-001M-0000-0024-AF88-5 Version Permalink: http://hdl.handle.net/11858/00-001M-0000-0024-AF89-3
Genre: Journal Article
Alternative Title : Relax, a flexible program for the back calculation of NOESY spectra based on complete-relaxation-matrix formalism

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JMagnReson_124_1997_177.pdf (Any fulltext), 491KB
 
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 Creators:
Görler, Adrian1, Author              
Kalbitzer, Hans Robert1, Author              
Affiliations:
1Emeritus Group Biophysics, Max Planck Institute for Medical Research, Max Planck Society, ou_1497712              

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 Abstract: RELAX is a flexible program for the quantitative analysis of NOESY spectra. It allows the simultaneous application of different models describing the internal and overall motion of the molecule under investigation for individual spin pairs or groups of spins. A correction for anisotropy effects due to the deviation of the molecule from a spherical shape is calculated automatically from the trial structure. The program can deal with completely relaxed spectra as well as spectra recorded with a short relaxation delay. An execution-time-controlled splitting of the relaxation matrix reduces the computation time significantly without any loss of accuracy. This is especially important for large molecules or medium distance cutoffs.

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Language(s): eng - English
 Dates: 1996-09-131996-10-091997-01
 Publication Status: Published in print
 Pages: 12
 Publishing info: -
 Table of Contents: -
 Rev. Type: Peer
 Identifiers: eDoc: 666073
DOI: 10.1006/jmre.1996.1033
URI: http://www.ncbi.nlm.nih.gov/pubmed/9169213
Other: 5413
 Degree: -

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Title: Journal of Magnetic Resonance
Source Genre: Journal
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Publ. Info: San Diego [etc.] : Academic Press
Pages: - Volume / Issue: 124 (1) Sequence Number: - Start / End Page: 177 - 188 Identifier: ISSN: 0022-2364
CoNE: https://pure.mpg.de/cone/journals/resource/954922651175_1