NMR Lab Software


The Bruker Topspin™ software allows acquisition, processing and analysis of 1, 2 or 3D NMR data,  and printing and export of the spectra. Besides the spectrometers,  the software is available for processing/plotting on the external Linux workstations in the NMR lab. The Software can also be installed and run on computers in the Department or on Students personal computers. The Department has a five seat network license (Code Meter), or users can obtain a free academic license from Bruker.  The current version used for processing is 3.6.3.


Bruker Topspin CMC-se

The Structure elucidation module of Topspin allows for the automatic assignment  of known structures or the generation of proposed structures using 2D COSY, HSQC  and HMBC spectra.  Starting with the molecular sum formula, the CMC-se solution analyzes the molecular structure using a defined protocol of 1D and 2D NMR spectra by generating a correlation table.  The spectra and correlations can be generated automatically or interactively.

The module is part of the main Topspin software installation, but requires a separate license.  The free academic version comes with a “Classroom Licsence” that allows for peak picking and display and management of the assignment tables, but not for the automated assignment and structure generation.

The Department has currently one network license for the full functionality that can be used by departmental users.