Invoke the URL /chemical/x-mnpub/10.14469/hpc/1087 from a browser Could one achieve the benefits of both open and fully functional NMR data with no loss from the original instrument coupled with the ability to apply top-quality software for its analysis in an open manner? This is a demonstration of how Mpublish achieves this. Of course there are also examples of non-commercial open software packages that are best-of-breed indeed in its early life-cycle MestreNova was known as MESTREC before becoming a commercial product. This requires what may be highly sophisticated software and that in turn means that it may be a commercial product. Turning this raw data into an interpretable NMR spectrum, the visual form of the data that so appeals to human beings, is non trivial. Now, NMR data as it emerges from a spectrometer is highly sophisticated, comprising a collection of (sometimes) binary proprietary files containing the measured free induction decays (FID). I will start by reminding that NMR data associated with a published article is (or should be) openly free: one should not need a subscription to the journal to access it (although one might in order to find it). With that release now out, the opportunity arose to test the system. In March, I posted from the ACS meeting in San Diego on the topic of Research data: Managing spectroscopy-NMR, and noted a talk by MestreLab Research on how a tool called Mpublish in the forthcoming release of their NMR analysis software Mestrenova could help.

Opening bruker fid files in mestrenova