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Showing posts from July, 2011

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cute NMR

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Among the many unfinished open source projects, cuteNMR is worth of some attention. It is not usable, but at least it works. One of the high points is the dialog for manual phase correction. Though nothing spectacular or innovative, it is much better than the one you can find inside NPNMR.

The Pleasure of Writing the Truth

We chemists can publish hundreds of figures. Just think at the experimental section of an average article and the part of that section that describes NMR data. How many times you find the symbol "m" for multiplet? It's a lot of times. Sometimes really there was no viable alternative, other times, however, it was possible to describe that multiplet (or rationalize it) as "ddd" or something similar. It does not happen because of laziness. The values of the coupling constants are not reported in such a case. Other times the J values are reported, but under the first order approximation. We know that this approximation is often valid. We also know, however, that many times it is not accurate. Modern NMR programs includes analyzers of first-order multiplet. It's unfortunate that their marketing always forgets that second order spectra exist in abundance! Obviously people begin to believe that this ignorance is forgivable ("Everybody is using that pretty mult...

Glassy Contours

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This is a new concept in the art of plotting. Only one color is used for positive peaks and another color for negative peaks. The difference among the levels is a different value of the alpha channel. Click the picture to enlarge. This option is featured in iNMR reader 4.1.5 and iNMR 4.1.6.

iPad

There are too many reasons why any wise guy will never write a program to process or visualize NMR spectra on the iPad. What's the iPad? A small, light-weight device that you can use to read books and newspapers, watch pictures and movies, hear music, play games. It's a machine to enjoy contents created by some other means. If you realize this, you conclude that the iPad comes ready to watch NMR spectra as well, provided that those spectra are saved as PDF. I think that one day tablets will substitute the PC as we know it today. That day tablets will have evolved from the iPad to something bigger, less closed, backward compatible with the PC. Then you will see NMR applications for the iPad, but the iPad will be a complete different thing from what it is today. The iPad is closed system. The programs are sold through a single store. Only the owner of the store decides what will be sold (or freely distributed) and when it will be released. If your program is accepted, your probl...