Hello All, I've been trying to run the automated peak detection, but I've run into some difficulty. Picking a slice from a 3D spectrum works without problems,
Peak height versus peak volume
Given a standard NOESY-based protein structure determination: Does anyone have any information on the benefits of measuring peak intensity by a volume integration method rather than simply measuring the peak height.
Obviously integration is theoretically more accurate, but does it make any difference to the quality of the structures produced? especially if peak lineshapes are comparable?
I was hoping to find some study comparing structures produced by both methods.....
I'm also curious about the benefits of distance-calbrating NOEs to a curve rather than simply putting restraints...
paul
NMR Questions and Answers
3
09-15-2015 07:48 PM
[Question from NMRWiki Q&A forum] Auto peak picking of N15Edit NOESY and C13 Edit NOESY spectrum
Auto peak picking of N15Edit NOESY and C13 Edit NOESY spectrum
Dear friends,
I am in process of doing structure calculation of a dimeric protein. The problem I faced is regarding the assignment of N15Edit NOESY and C13 Edit NOESY spectrum.I have already processed the fid data and converted to sparky ucsf format. Is there options available in sparky for auto peak picking, integration and assignment of my NOESY spectrum? And second query is regarding the generation of input files for structure calculation. In our Lab we are using ARIA 2.1 software for structure calculation? Is there any...
nmrlearner
News from other NMR forums
0
12-14-2011 07:14 PM
[NMRpipe Yahoo group] nmrpipe peak picking simplified
nmrpipe peak picking simplified
Hi everybody I am trying to simplify my assignment process: For this I would like to use a 2D projection from a 3D NOESY where I can easily pick and assign and
More...
NMRpipe Yahoo group news
News from other NMR forums
0
09-23-2011 05:53 AM
solution to a basic nmr problem, practice problem 3
solution to a basic nmr problem, practice problem 3
http://i.ytimg.com/vi/mOdABDblqKo/default.jpg
solution to a basic nmr problem, practice problem 3
The solution to a good, basic practice nmr and IR problem at Bryn Mawr College by M Nerz
From: mnerzsto
Views: 4060
http://gdata.youtube.com/static/images/icn_star_full_11x11.gif http://gdata.youtube.com/static/images/icn_star_full_11x11.gif http://gdata.youtube.com/static/images/icn_star_full_11x11.gif http://gdata.youtube.com/static/images/icn_star_full_11x11.gif http://gdata.youtube.com/static/images/icn_star_full_11x11.gif
...
nmrlearner
NMR educational videos
0
09-14-2011 09:34 PM
[NMR analysis blog] Intelligent Peak Picking of 1D NMR Spectra
Intelligent Peak Picking of 1D NMR Spectra
In case you hadn´t noticed, version 7 of Mnova was released just a few days ago.
Whilst this new version presents a number of significant improvements in the software, in this post I would like to focus on a new peak picking concept which, to the best of my knowledge, is novel and in some way, revolutionary. I will try to keep this as short and clear as possible, just to illustrate the very basic ideas that motivated this new approach to peak picking. In the next posts I will elaborate further on some of the new points introduced here.
...
nmrlearner
News from NMR blogs
0
05-16-2011 08:23 PM
[NMR analysis blog] Alignment of NMR spectra – The problem: Part I
Alignment of NMR spectra – The problem: Part I
The chemical shift is of great importance for NMR spectroscopy because it reflects the chemical environment of the nuclides under observation providing detailed information about the structure of a molecule.
Although the chemical shift of a nucleus in a molecule is generally assumed to be fairly stable, there are a number of experimental factors (pH, ionic strength, solvent, field inhomogeneity –bad shimming, temperature, etc) which might produce slight or even quite significant variations in chemical shifts.
This is particularly important...
nmrlearner
News from NMR blogs
0
01-28-2011 04:52 AM
Peak shape in NMR
Hi there,
I'm quite new to NMR, but one thing I've been wondering is: are the shapes of the peaks in an NMR spectrum important? I know that the frequency information is important, and the amplitude can sometimes be important for experiments like NOESY, but does the overall shape matter? Can anymore information be deduced from this?
Thanks
newToNMR
NMR Questions and Answers
1
12-13-2010 06:50 AM
[NMR paper] Automated peak picking and peak integration in macromolecular NMR spectra using AUTOP
Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY.
Related Articles Automated peak picking and peak integration in macromolecular NMR spectra using AUTOPSY.
J Magn Reson. 1998 Dec;135(2):288-97
Authors: Koradi R, Billeter M, Engeli M, Güntert P, Wüthrich K
A new approach for automated peak picking of multidimensional protein NMR spectra with strong overlap is introduced, which makes use of the program AUTOPSY (automated peak picking for NMR spectroscopy). The main elements of this program are a novel...
Problem peak-picking 3D spectra
Linear Mode
