ASpin-NMR data reporting tool

Abstract

Nuclear Magnetic Resonance spectroscopy, commonly referred as NMR spectroscopy, is a widely used technique for determining the structure of organic compounds and metallorganic complexes. The NMR characterization process can be done automatically by specific tools integrated into the main NMR dedicated software, however it is commonly subjected to user’s interpretation therefore it still remains a manual process. In relationship with the number of signals to interpret and the complexity of the spectrum, the user usually spends between ten minutes and one hour to manually generate an NMR report, which can be clearly affected by typos or format mismatches. Here we report an Excel sheet-based NMR data reporting tool which, thanks to ad hoc macros, generates as output a formatted NMR report, ready to be directly pasted into any manuscript. ASpin tool leaves to the users the full possibility to interpret the spectrum in this way they can gain more experience in the interpretation process, without giving up the time saving.