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The nuclear magnetic resonance database method enables the identification of the stereochemistry of chiral molecules, especially polyols. It relies on the observation that NMR spectroscopy data depend only on the immediate environment near an asymmetric carbon , not on the entire molecular structure.
The software includes PDF report generation, spectrum prediction (database-trained and/or algorithm based), structure drawing, structure search, spectrum search, text field search, and more. Access to the databases is available to subscribers either as NMR only or combined with mass spectrometry and FT-IR data.
The Collaborative Computing project for NMR spectroscopy was set up in with three main aims; to create a common standard for representing NMR spectroscopy related data, to create a suite of new open-source NMR software packages and to arrange meetings for the NMR community, including conferences, workshops and courses in order to discuss and spread best-practice within the NMR community, for ...
NMRPipe is a Nuclear Magnetic Resonance data processing program.. The project was preceded by other functionally similar programs but is, by and large, one of the most popular software packages for NMR Data Processing in part due to its efficiency (due to its utilization of Unix pipes) and ease of use (due to the large amount of logic embedded in its individual functions).
NMR database (NMR = nuclear magnetic resonance) may refer to: Nuclear magnetic resonance spectra database, a collection of NMR spectra for a large number of compounds; Nuclear magnetic resonance database method, a strategy to identify the stereochemistry of certain chiral compounds
The database has also an ftp site, where data can be downloaded in the bulk. [1] The BMRB has two mirror sites, one at the Protein Database Japan (PDBj) at Osaka University and one at the Magnetic Resonance Research Center (CERM) at the University of Florence in Italy. The site at Japan accepts and processes data depositions. [4]
A 900 MHz NMR instrument with a 21.1 T magnet at HWB-NMR, Birmingham, UK Nuclear magnetic resonance spectroscopy, most commonly known as NMR spectroscopy or magnetic resonance spectroscopy (MRS), is a spectroscopic technique based on re-orientation of atomic nuclei with non-zero nuclear spins in an external magnetic field.
Solid-state 900 MHz (21.1 T [1]) NMR spectrometer at the Canadian National Ultrahigh-field NMR Facility for Solids. Solid-state nuclear magnetic resonance (ssNMR) is a spectroscopy technique used to characterize atomic-level structure and dynamics in solid materials. ssNMR spectra are broader due to nuclear spin interactions which can be categorized as dipolar coupling, chemical shielding ...