Subject: Re: [nmr_sparky] Re: Using Sparky with Python
From: Josh Ward
Date: Oct 20, 2005

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What experiments are you looking at and what exactly is wrong with the
spectra? Did they enter enter the sweepwidth incorrectly, or was it
referenced improperly? I am trying to get a feel for what is wrong. If
it is simply an alignment issue, you can align the spectra in sparky
using the align spectra dialogue (Extensions - Spectrum - Align
spectrum al ). You will have to pick a peak in each spectrum (hold
shift key while you click on each peak with cursor in select (F1) mode)
and then select the spectra and axes appropriately in the dialogue window.

Aside from that, I have a feeling you wont be able to repair your data,
honestly, the more I think about it. Most things that could possibly be
wrong with it will require a Fourier Transformation to repair. Your
best bet is probably going to be to contact the other lab and see if
they can send you the raw data so you can process it properly yourself.
By the way, NMRPipe is going to require Linux, Unix, or MacOSX if I
remember correctly. (Frank doesnt do windows) But, you should get
used to running on an improved platform if you are going to be working
in NMR anyways. ;) Let go of the Windows!

Josh

Ras Al Jdi Mai wrote:

Thanks Tieying,

I know that the uscfdata is what Im after, the problem Im having is
that when sparky opens the python window, it says its not running
python which makes it so I cant type in anything. Sparky does read
the matrix files but when they were configured the axes were wrong and
since the spectra dont match up were suspicious that the axes thing
might be part of the problem. I may end up giving up doin this stuff
at home and have to break down and work at the unversity, but since
Im over 45 minutes away, Im trying to avoid this....

Thanks though, and if you think of anything else, drop me a line.







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--
Josh Ward
Graduate Research Assistant
Purdue University
Department of Medicinal Chemistry and Molecular Pharamacology
Lily Hall of Life Sciences
Phone: (765) 494-2191