Bad baseline when using CS_VE=y

37 views
Skip to first unread message

Yizhi Sun

unread,
Dec 22, 2016, 11:29:07 AM12/22/16
to mddnmr
Hi,

I'm trying to process a 3D 15N noesy-trosy with qMDD. I got nice spectrum using CS/IRLS. But once I switch CS_VE on, I got bad baseline like this:



Thanks for any comments.

Best!
Yizhi

Krzysztof Kazimierczuk

unread,
Dec 22, 2016, 11:36:05 AM12/22/16
to mdd...@googlegroups.com
Hi Yizhi,

You have to set phase parameter to phases you have in fidSP.com. For example, if phases are -yP0 36 -zP0 73. Then:

setenv phase '36 73'

For half-dwell time, i.e. P0 -90 P1 180 and f180 y, you keep phase of 0.

You can also share scripts with us, if you need more help.
Depending on the version of the program, you may have to change the sign of phase comparing to fidSP.com (there was such a bug some time ago).

Krzysztof
--
--
You received this message because you are subscribed to the Google Groups "mddnmr" group.
To post to this group, send email to mdd...@googlegroups.com rom your registered email address.
To unsubscribe from this group, send email to mddnmr-un...@googlegroups.com
For more options, visit this group at http://groups.google.com/group/mddnmr

---
You received this message because you are subscribed to the Google Groups "mddnmr" group.
To unsubscribe from this group and stop receiving emails from it, send an email to mddnmr+un...@googlegroups.com.
For more options, visit https://groups.google.com/d/optout.


-- 
Pozdrawiam,
Krzysztof Kazimierczuk<br />


Krzysztof Kazimierczuk, PhD
Laboratory of Intermolecular Interactions
University of Warsaw
Zwirki i Wigury 101, 02-089 Warsaw
tel. +48 22 8220211 ext. 421

Yizhi Sun

unread,
Dec 22, 2016, 12:03:32 PM12/22/16
to mddnmr
It worked! Thanks a lot. 
A related question, how different would it be if you use IRLS or IST to process your data?

Yizhi

Krzysztof Kazimierczuk

unread,
Dec 22, 2016, 12:27:16 PM12/22/16
to Yizhi Sun, mddnmr
Hi,

IRLS can give better result than IST for demanding cases: high dynamic range of peak intensities and/or low sampling level. On the other hand IST is faster and less memory consuming. Use 200-500 iterations for IST (500 for NOESY and other difficult cases).

Regards,
Krzysztof

Yizhi Sun

unread,
Dec 22, 2016, 6:06:28 PM12/22/16
to mddnmr, walto...@gmail.com
Got it. Thanks a lot!

Yizhi
Reply all
Reply to author
Forward
0 new messages