PALMA for DOSY Analysis
21-Aug-2020 WARNING - this server is running fine, but is experiencing difficulties to deliver the results by mail to its users,
we're working on it, but it should take several days to be solved.
In the mean time, if you launch a computation, please notice me by mail at delsuc@igbmc.fr and I'll directly send you the results
This program will only work for experiment acquired on a Bruker instrument running Topspin (tested for 2.0 to 3.2)
- Acquire your DOSY as usual, using a sequence from the standard library (check the How-To for hints on acquisition).
- set the processing parameters for the F2 (classic) dimension to your taste. (favor SNR to resolution, and avoid having too many points in F2)
- Process it in the F2 dimension with the XF2 command
- create a zipfile containing the whole experiment at the expno level, that is, if your experiment is data_dir/user_name/nmr/project_name/expno/pdata/procno zip the whole expno folder (remarks: -there should be only one procno in the experiment; - only the 2rr, difflist and parameter files are used, the ser and 2ii files are not required and you may remove them before zipping if you wish)
Remarks
- Some Diffusion coefficients typical values:
- solvents are usually within 2000 (water) to 5000 $\mu$m2/s
- small organic molecules are usually within 200 to 1000 $\mu$m2/s
- proteins are usually within 50 (globular proteins) to 200 (peptides) $\mu$m2/s
- polymers can presen wide diffusion distributions...
- The program only handles $^1$H data-set for the moment (we're working on it)
- No need to use a lot of point in the F2 horizontal dimension. 4k-8k points are usually enough, and make nicer spectra than a larger size (and faster too!).
- The program should give reliable diffusion coefficients to the condition that your spectrometer was correctly calibrated (SETPRE) and if you are using a pulse sequence from the standard library.