dear Frank, If at all possible in your sequence of priorities, would it be possible to implement the IUPAC approach in NMRPipe? It would be great if one could
SHIFTCOR: Protein Chemical Shift Re-referencing
SHIFTCOR website
SHIFTCOR is an automated shift correction program that uses statistical methods to compare and correct SHIFTX-predicted shifts relative to an input set of observed chemical shifts. SHIFTCOR uses several simple statistical approaches and pre-determined cutoff values to identify and correct potential referencing, assignment and typographical errors. SHIFTCOR identifies potential chemical shift referencing problems by comparing the difference between the average value of each set (1Hα, 13Cα, 13Cβ, 13CO, 15N and 1HN) of observed and predicted chemical shifts. The difference...
gwnmr
NMR software
0
01-10-2012 06:46 PM
[NMRpipe Yahoo group] SW in indirect dimension
SW in indirect dimension
Hi everybody, I am wondering about SW in indirect dimension... On the spectrometer when taking spectrum we usually set up both SW in direct F2 and indirect F1
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11-09-2011 06:44 AM
[NMRpipe Yahoo group] Re: indirect referencing
Re: indirect referencing
Hi Frans, Thanks for keeping this important topic in mind. By nice coincidence, I started on some related work last week, and added some new entries to the
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03-05-2011 02:44 AM
[Question from NMRWiki Q&A forum] Internal referencing in direct and indirect dimensions using guanidinium
Internal referencing in direct and indirect dimensions using guanidinium
Hello,
I am recording 15N-HSQC spectra of a protein in increasing concentrations (0.25–2.5 M) of guanidine hydrochloride. I would like to use the guanidine chemical shift (which appears in the HSQC) as an internal standard in both the direct and indirect (!) dimensions. My intuition is that the chemical shifts of guanidine should be independent of guanidine concentration. Does anyone know if this is really true?
Currently, I see a constant upfield shift in the indirect dimension, even for the guanidine peak...
nmrlearner
News from other NMR forums
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11-18-2010 06:14 AM
[NMR Geek blog] Chemical Shift Referencing Calculator
Chemical Shift Referencing Calculator
Below is the protocol I follow for chemical shift referencing (direct for 1H, and indirect for 13C and 15N). Actually I always have to look back and forth for referencing, so thought why not make a small script and put it on web so that the access becomes handy. !!! The referencing should be done
Full story can be found on the NMR geek blog
nmrlearner
News from NMR blogs
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08-22-2010 01:41 AM
[NMRpipe Yahoo group] Re: Deuterium referencing in conv.tcl
Re: Deuterium referencing in conv.tcl
Greetings all ... Alex is absolutely correct, and I get to wear the Deuterium Dunce Cap. We've updated and posted new versions of NMRPipe with this fix -- so,
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nmrlearner
News from other NMR forums
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08-18-2010 11:15 AM
[NMRpipe Yahoo group] Deuterium referencing in conv.tcl
Deuterium referencing in conv.tcl
Hello, This isn't of immediate relevance to me, but I am curious nonetheless. I was looking through conv.tcl to learn a bit of how the varian and bruker
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nmrlearner
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08-18-2010 11:15 AM
CheckShift: automatic correction of inconsistent chemical shift referencing
CheckShift: automatic correction of inconsistent chemical shift referencing
Simon W. Ginzinger, Fabian Gerick, Murray Coles and Volker Heun
Journal of Biomolecular NMR; 2007; 39(3); pp 223-227
Abstract:
The construction of a consistent protein chemical shift database is an important step toward making more extensive use of this data in structural studies. Unfortunately, progress in this direction has been hampered by the quality of the available data, particularly with respect to chemical shift referencing, which is often either inaccurate or inconsistently annotated. Preprocessing of...
indirect referencing
Linear Mode
