Subject: Re: [nmr_sparky] Re: Regarding processing problem of 2D TOCSY ucsf in sparky
From: Mandar Naik
Date: May 13, 2013

Previous: 886

Hi,
His problem was in the nmrPipe processing script and has been resolved. According to me (after having seen his data), what you have suggested would not have helped the situation. The only other means to work on his corrupted UCSF file was to shrink the spectral width of one dimension using ucsfdata program, but that was still not perfect solution. Anyhow, I realize in many places people recycle nmrPipe scripts without reading the commands within and that probably should be avoided.
With regards
-mandar


On Sun, May 12, 2013 at 6:57 PM, Demers, Jean-Philippe jpde@... wrote:
 


Hello Pancham,

You can apply a chemical shift correction to your TOCSY spectrum using your ROESY spectrum as a reference:
- First, do the peak picking of a few reliable peaks in your ROESY spectrum and pick the same peaks in your TOCSY spectrum.
- For each axis (w1, w2,...), then calculate the average difference shift between the two spectra (you can also do a regression).
- Finally in your TOCSY spectrum, add the values that you found to the offset using the command st.

Hopefully, this will produce a spectrum with the same values for w1 and w2.

Best regards,
Jean-Philippe Demers

Max Planck Institute for Biophysical Chemistry
Abteilung 030, NMR II, Am Fassberg 11
37077 Goettingen, Germany


Messages
Thu May 9, 2013 9:22 am (PDT) . Posted by:
Dear sir/Madam, 
I am a sparky user and using this software for 2D NMR assignment....I used this software many time...I am facing a problem in ucsf file of 2D tocsy NMR....my sample is in CDCl3 and I fixed the TMS at 0 ppm on both W1 and W2 axis...but if I put the cursor on any other contour of diagonal of this 2D tocsy spectra both the W1 and W2 value are not same....... only that diagonal contour is showing same W1 and W2 value which is fixed by ST command for TMS at 0 ppm.....Same way I did 2D roesy TMS adjustment at 0 ppm...and this case is fine....Due to the problem in tocsy I am unable to synchronize both the 2D tocsy and roesy NMR data...so I am unable to understand the problem...please help me to solve this problem so I can work further....

Thankyou

Regards
Pancham Kandiyal
CDRI, Lucknow
India