ANATOLIA: NMR software for spectral analysis of total lineshape
Тип публикации: Journal Article
Дата публикации: 2018-01-18
scimago Q3
wos Q3
БС2
SJR: 0.36
CiteScore: 4.1
Impact factor: 1.4
ISSN: 07491581, 1097458X
PubMed ID:
29211924
General Chemistry
General Materials Science
Краткое описание
In this paper we present a new fast and free open‐source software package ANATOLIA for the total lineshape analysis of NMR spectra. It performs fitting of experimental 1D NMR spectra based on quantum mechanical formalism. The program serves for the determination of J‐coupling constants and elucidation of complicated multiplet structures including strongly coupled systems. The program utilizes the Lorentzian broadening approach for local minima suppression. It is developed in the C++ language for standard personal computers. ANATOLIA is adapted to work with the Bruker NMR spectral format and could be conveniently integrated into the TopSpin software package. This tutorial contains a program description, 2 demonstration examples, and general recommendations for NMR spectra analysis.
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Cheshkov D. A. et al. ANATOLIA: NMR software for spectral analysis of total lineshape // Magnetic Resonance in Chemistry. 2018. Vol. 56. No. 6. pp. 449-457.
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Cheshkov D. A., Sheberstov K., Sinitsyn D. O., Chertkov V. A. ANATOLIA: NMR software for spectral analysis of total lineshape // Magnetic Resonance in Chemistry. 2018. Vol. 56. No. 6. pp. 449-457.
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TY - JOUR
DO - 10.1002/mrc.4689
UR - https://doi.org/10.1002/mrc.4689
TI - ANATOLIA: NMR software for spectral analysis of total lineshape
T2 - Magnetic Resonance in Chemistry
AU - Cheshkov, Dmitry A.
AU - Sheberstov, Kirill
AU - Sinitsyn, D. O.
AU - Chertkov, Vyacheslav A.
PY - 2018
DA - 2018/01/18
PB - Wiley
SP - 449-457
IS - 6
VL - 56
PMID - 29211924
SN - 0749-1581
SN - 1097-458X
ER -
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@article{2018_Cheshkov,
author = {Dmitry A. Cheshkov and Kirill Sheberstov and D. O. Sinitsyn and Vyacheslav A. Chertkov},
title = {ANATOLIA: NMR software for spectral analysis of total lineshape},
journal = {Magnetic Resonance in Chemistry},
year = {2018},
volume = {56},
publisher = {Wiley},
month = {jan},
url = {https://doi.org/10.1002/mrc.4689},
number = {6},
pages = {449--457},
doi = {10.1002/mrc.4689}
}
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MLA
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Cheshkov, Dmitry A., et al. “ANATOLIA: NMR software for spectral analysis of total lineshape.” Magnetic Resonance in Chemistry, vol. 56, no. 6, Jan. 2018, pp. 449-457. https://doi.org/10.1002/mrc.4689.