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This feature will calculate in the background a simulation of the spectrum of the molecular structure present in the spectral…
Resolution and sensitivity are two key factors in NMR spectroscopy. In the case of 2D NMR, the resolution of direct…
Elemental composition analysis is one of the most informative techniques in mass spectrometry. With appropriate mass spectral data, elemental composition…
NMR diffusion experiments provide a way to separate the different compounds in a mixture based on the differing translation diffusion…
Molecule match analysis determines the possible presence of one or more given structures (or formulae) within a mass spectral data…
In this tutorial, we will explain how to phase the spectrum in real time, directly on the 2D spectrum. We…
The NOE module uses the full relaxation matrix method (CORMA) to calculate NOE intensities from internuclear distances. This tutorial will…
Resolution is a key concept in high resolution NMR and considerable effort (e.g. shimming) is usually devoted to ensure optimum…
A KNIME Workflow for Automated Structure Verification
Title: A KNIME Workflow for Automated Structure Verification Authors: James A. Lumley, Gary Sharman, Thomas Wilkin, Matthew Hirst, Carlos Cobas, Michael Goebel Date: First…
