Posts

Showing posts from November, 2009

Open Source NMR freeware

Most of the readers arrive here using Google, without knowing me and my blog. Usually they get very angry because they arrive... on the trapping post I wrote 3 years ago! I want to do something to keep them glad... So you want "open source" stuff? Do you know what it really means? Are you ready to compile, test, debug it and add a graphic interface to it? Just because you asked for it, here is a list of available projects. If you know other links, add them into a comment. CCPN NPK matNMR ProSpectND Connjur Newton-NMR nmrproc DOSY Toolbox list of 30+ projects

Tips

It rarely happens to find valuable tips about processing on the web. When it happens, it's probably not enough to bookmark the page (it may disappear), copying it is a better idea. Here is the link: http://spin.niddk.nih.gov/NMRPipe/embo/ When you arrive there, scroll down until you find the chapter Some General Tips About Spectral Processing . The focus is on multi-dimensional processing with NMRPipe, but a few concepts are generally applicable indeed. The brief discussion about first-point pre-multiplication is something to bear in mind. You can also find clearly expressed opinions on zero-filling, linear prediction and baseline correction.

Shadow

Image
Here is a picture I have found on the internet. I have never been in this place, if this is what you want to hear. Suppose, instead, that I live just in front of this tower and tomorrow I take a photo of it immediately after dawn, then another photo after 25 hours and so on for a week, with regular intervals of 25h between pictures. Eventually I print all the pictures in order and ask you: "This pictures have been taken in this exact order at regular intervals. Can you tell me how long the intervals were?". Somebody will answer: "1 hour" and the answer would be partially correct. A more correct answer would be 1 + 24 n hours, with n = 0, 1, 2, 3�. The world of FT-NMR is similar. The difference is that the regular interval between consecutive observation is known in advance while the speed of the hands and of the shadow is unknown. In other words, it is the opposite of my example of the tower. The equivalent of a day, in the world of FT-NMR, is very very short and is...