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J-graph

Graphical representations of NMR scalar coupling constants

J-graphs are graphical representations of NMR scalar coupling constants.

VisualVisualization of assigned coupling constants

An on-line dynamic J-graph visualizer of androsten with most coupling constants assigned shows how J-Graph can be used to assign coupling constants.

Demo for manual assignement of coupling constants

J-graphs can be used to facilitate the assignment of homonuclear coupling constants, i.e. make pairs of protons with equal values of J.

J-graph visualizer of androsten with no assigned couplings This is a demo of the guided assignement feature: Double-click on dots if the horizontal line is green when rolling over a dot. The green line is indicating that only one coupling partner is compatible with the structure and the value of the coupling constant.

Mnova json reader

More info

More details.

See also

For two-dimensional COSY cross-peaks, a two-dimensional representation of coupling constants was introduced. This work is inspired by it. (D. Jeannerat, PhD thesis, Group G. Bodenhausen).

Installation npm install -g browserify browserify src/nodeModules.js -r nmredata > src/browserifiedModules.js