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Showing posts from September, 2008

Ray Nance

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I have a challenge for you. It's a puzzle that I can't find the solution to. Before your challenge, I need to finish the story of my challenge (I already told the beginning and the middle part: see previous posts). To tell my story, however, I need to explain my language first. When I asked for help, on September 9, nobody understood what I really needed, because we speak different languages. While I look at the mathematical description of NMR processing, you think at the software command that performs it. This time I will try to be the clearest I can. The world of NMR is complicated because every program stores data in a different way. There is the sequential storage and the storage in blocks, the little endian and the big endian, the interleaved and the non-interleaved. Add to this that the spectrometer is free, when writing the data on disc, to change the sign to a part of the points. When acquiring a multidimensional spectrum, which is made of many FIDs, it is also free to ...

Passion

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I want to thank Dan, Rolf and Richard who answered to my request for help. I have carefully studied their replies, including the enclosed documents, and I have learned to process a couple of beautiful 3D Varian spectra. There are other cases that still resist to my attempts, yet the progress is remarkable. I have decided to share my work with you (and anybody else). Instead of publishing the details (that few would read), I have uploaded the program that processes THOSE 3D spectra (see previous post). It's lightweight and it's free. The access is also unrestricted. What else you want? Simplicity? It's included! Even a kid could transform a 3D spectrum... If you are interested into visual 3D processing "the way I like it", you can continue reading here . Happy Processing!

Help me Please

For the first time after almost 2 years, you have the oppurtunity to give me something. There is an apparently nice collection of 3D spectra on the web: http://www.biochem.ucl.ac.uk/bsm/nmr/ubq/ but I can't process them because they are Varian spectra. If you are able to process at least one of them with any software, would you please explain me what's happening? Or, in other words, what you see?

North

I have began editing the comparative price list, instead of republishing it periodically. You find the link at the top of the sidebar. Today I have added three new entries, and you'll notice they are all quite expensive; this fact is remarkable, because those programs aren't generally considered commercial. Actually they are the most expensive ones! NMR is extremely specialistic, and for this reason it becomes impossible to keep a freeware alive for a long time. You go nowhere without money, as SideSpin exemplifies so clearly! Apart from the boring pricing considerations, you can follow the links to explore the new websites of NMRPipe, CYANA and LCModel. There is a striking contrast between the informative and elegant site of the first one and the extreme simplicity of the last one. According to the title and the URL, it is the personal site of Stephen Provencher and not the site of the product, but there is no information at all about the author. Even his geographical locat...