Articles | Volume 2, issue 2
Magn. Reson., 2, 545–555, 2021
https://doi.org/10.5194/mr-2-545-2021

Special issue: Geoffrey Bodenhausen Festschrift

Magn. Reson., 2, 545–555, 2021
https://doi.org/10.5194/mr-2-545-2021

Research article 06 Jul 2021

Research article | 06 Jul 2021

Application of multiplet structure deconvolution to extract scalar coupling constants from 1D nuclear magnetic resonance spectra

Damien Jeannerat and Carlos Cobas

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Interactive discussion

Status: closed

Comment types: AC – author | RC – referee | CC – community | EC – editor | CEC – chief editor | : Report abuse
  • RC1: 'Comment on mr-2021-32', Anonymous Referee #1, 01 Apr 2021
    • AC1: 'Reply on RC1', Damien Jeannerat, 03 May 2021
  • RC2: 'Comment on mr-2021-32', Eriks Kupce, 06 Apr 2021
    • AC2: 'Reply on RC2', Damien Jeannerat, 03 May 2021

Peer review completion

AR: Author's response | RR: Referee report | ED: Editor decision
AR by Damien Jeannerat on behalf of the Authors (14 May 2021)  Author's response    Author's tracked changes    Manuscript
ED: Publish subject to corrections (18 May 2021) by Daniel Abergel
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Short summary
Nuclear magnetic resonance spectroscopy is at the forefront of analytical methods used in organic chemistry and phytochemistry. Multiplet structure deconvolution has been revisited in the perspective of a robust integration in the computer-assisted workflow of 1D spectra analysis. New features include the management of coupling partners with spin > 1/2, second-order effects and partial signal overlap.