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ANATOLIA: NMR software for spectral analysis of total lineshapeстатья
Информация о цитировании статьи получена из
Scopus
Статья опубликована в журнале из списка Web of Science и/или Scopus
Дата последнего поиска статьи во внешних источниках: 10 августа 2018 г.
- Авторы: Cheshkov D.A., Sheberstov K.F., Sinitsyn D.O., Chertkov V.A.
- Журнал: Magnetic Resonance in Chemistry
- Том: 56
- Год издания: 2018
- Издательство: John Wiley & Sons Inc.
- Местоположение издательства: United States
- Первая страница: 1
- Последняя страница: 9
- DOI: 10.1002/mrc.4689
- Аннотация: 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 mutliplet 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, two demonstration examples and general recommendations for NMR spectra analysis.
- Добавил в систему: Чертков Вячеслав Алексеевич