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Download QR code; Print/export ... Comparison of software for processing NMR spectra. Software Author, creator ... Free GPLv2: TopSpin Bruker: Linux, Mac OS, Windows ...
While 1D NMR is more straightforward and ideal for identifying basic structural features, COSY enhances the capabilities of NMR by providing deeper insights into molecular connectivity. The two-dimensional spectrum that results from the COSY experiment shows the frequencies for a single isotope, most commonly hydrogen (1 H) along both axes.
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 ...
Modeller, often stylized as MODELLER, is a computer program used for homology modeling to produce models of protein tertiary structures and quaternary structures (rarer). [2] [3] It implements a method inspired by nuclear magnetic resonance spectroscopy of proteins (protein NMR), termed satisfaction of spatial restraints, by which a set of geometrical criteria are used to create a probability ...
Available through Wiley Online Library [3] (John Wiley & Sons), SpecInfo on the Internet NMR is a collection of approximately 440,000 NMR spectra (organized as 13 C, 1 H, 19 F, 31 P, and 29 Si NMR databases). The data are accessed via the Internet using a Java interface and are stored in a server developed jointly with BASF. The software ...
Phosphorus-31 NMR spectroscopy is an analytical chemistry technique that uses nuclear magnetic resonance (NMR) to study chemical compounds that contain phosphorus. Phosphorus is commonly found in organic compounds and coordination complexes (as phosphines ), making it useful to measure 31 - NMR spectra routinely.
X-Pulse has the highest, as standard, resolution (<0.35 Hz / 10 Hz) of the currently available benchtop, cryogen-free NMR analysers. It incorporates a 60 MHz rare-earth permanent magnet. X-Pulse is the only benchtop NMR system to offer a full broadband X channel for the allowing the measurement of 1H,19F, 13C, 31P, 7Li, 29Si, 11B and 23Na on a ...
On a properly acquired NMR spectrum this is seen as a narrow Lorentzian line (at 4.8 ppm, 20 C). Bulk water molecules are also relatively far from magnetic field perturbing macromolecules, such that free water protons experience a more homogeneous magnetic field, which results in slower transverse magnetization dephasing and a longer T 2 ...