Friday, February 06, 2009

New Millennium

What's the difference between the old and the new millenium? Do you remember when I described the whitening method? Now it has been published, as a peer-reviewd article, on Magnetic Resonance in Chemistry:
Automatic phase correction of 2D NMR spectra by a whitening method
Giuseppe Balacco, Carlos Cobas
Published Online: Feb 3 2009 10:57AM
DOI: 10.1002/mrc.2394
If you have followed this blog, you know that many other papers have appeared on a similar subject (automatic phase correction of 1-D spectra). In the past, to discover that the method didn't actually work, you had to write a program by yourself (apart a few lucky exceptions). If you want to verify the whitening method in practice, you have plenty of simpler and faster alternatives.
You can download iNMR Passion (freeware) or you can download the freely accessible iNMR (or iNMR reader: they don't allow printing, in demo mode, which is irrelevant in our context). If you have a generic operative system you can ask for a demo copy of MestreNova.
Please don't complain if some of these products are commercial. FTF: where do you publish your results? On your own blog? Second thing: we haven't patented our method and anybody is free to include the algorithm into her/his own program (free or commercial); citing the source would be fair.
A final disclaimer: the whitening method works nicely in 2-D spectroscopy. It's not yet applicable in 3-D cases. When, however, the phase of a 2-D spectrum is impossible to correct manually, it's also impossible to correct it automatically. Obvious!


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