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  The Metabolomics Toolbox

iNMR offers a wealth of stand-alone functions which help the researcher in manipulating arrays of spectra (acquired under similar conditions). Possible fields of application are: difference spectroscopy, kinetic, titration, variable temperature, metabonomics and metabolomics studies.

iNMR doesn't bring in a new scripting language, nor does it require the knowledge of AppleScript. The user can simply ask the program to process a spectrum in imitation of a given model. The “model” can be any other spectrum, while “imitation” can be quite an elastic concept, according to the user's needs of the moment.

iNMR also sports a powerful Overlay Manager, making the manipulation of hundreds of spectra almost as straightforward as the manipulation of a single spectrum.

See also

Batch Processing

Scripting with Lua

Creation of ASCII tables

Calculating Bins

automatic TMS recognition

sorting

automatic Baseline Correction

Solvent Suppression

Multiple Open command

manipulation