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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…
Residual Dipolar Coupling experiments can be analyzed, and alignment tensors determined also with Mspin. Once the molecular structure has been…
The user can show the traces of the 2D-NMR spectrum, just by clicking on the ‘Show Traces’ icon:On the same…
This tutorial will show you how to apply the JCoupling module to the fluoroethanol. Just load the molecular structure into…
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…
