Iterative fitting of magic-angle-spinning NMR spectra |
| |
| Affiliation: | 1. Francis Bitter National Magnet Laboratory and Department of Chemistry, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA;2. Gorlaeus Laboratory der Rijksuniversiteit te Leiden, 2300 RA Leiden, The Netherlands;3. Department of Chemistry, Brandeis University, Waltham, Massachusetts 02254, USA;1. Health Sciences North Research Institute, 41 Ramsey Lake Road, Sudbury, ON P3E 5J1, Canada;2. Laurentian University, 935 Ramsey Lake Road, Sudbury, ON P3E 2C6, Canada;3. Northern Ontario School of Medicine, 935 Ramsey Lake Road, Sudbury, ON P3E 2C6, Canada;4. Finlay Vaccine Institute, Ave. 27 No. 19805, La Habana, AP 16017, Cuba;1. Graduate School of Engineering, Osaka University, 2-1 Yamadaoka, Suita, Osaka 565-0871, Japan;2. Nihon BioData Corporation, 3-2-1 Sakado, Takatsu-ku, Kawasaki, Kanagawa 213-0012, Japan;3. Graduate School of Technology, Industrial and Social Sciences, Tokushima University, 2-1 Minamijosanjima-cho, Tokushima, Tokushima 770-8506, Japan;1. RIKILT Wageningen University & Research, P.O. Box 230, 6700 AE Wageningen, The Netherlands;2. Food Quality and Design Group, Wageningen University & Research, P.O. Box 8129, 6700 EV Wageningen, The Netherlands;3. Dutch Customs Laboratory, Kingsfordweg 1, 1043 GN Amsterdam, The Netherlands;1. Cognitive Neuroscience Section, IRCCS Centro San Giovanni di Dio Fatebenefratelli, Via Pilastroni 4, 25125 Brescia, Italy;2. Neuroscience Section, Department of Clinical and Experimental Sciences, University of Brescia, 25123 Brescia, Italy;1. Non-Invasive Brain Stimulation Unit, Neurologia Clinica e Comportamentale, Fondazione Santa Lucia IRCCS, Rome, Italy;2. Department of System Medicine, Policlinico di Tor Vergata, Rome, Italy;3. Cognitive Neuroscience Section, IRCCS Centro San Giovanni di Dio Fatebenefratelli, Brescia, Italy;4. Department of Neurology, Sant’Eugenio Hospital, Rome, Italy;5. Stroke Unit, Policlinico Tor Vergata, Rome, Italy |
| |
| Abstract: | An approach for the analysis of magic-angle-spinning NMR spectra which combines nonlinear iterative and linear analytical procedures for fitting sideband spectra is presented. Parameter values, as well as statistical errors, are extracted from the experimental data. The method is particularly useful for the analysis of spectra with limited sensitivity or overlapping lines, and the fitting procedure ensures the highest possible speed. Experimental examples for the analysis of spectra with sidebands due to chemical-shift anisotropies and heteronuclear dipolar interactions are shown. The importance of statistical and systematic errors is considered. |
| |
| Keywords: | |
| 本文献已被 ScienceDirect 等数据库收录！ |
|
