Hello there, I'd like to transform 2D spectra acquired with randomly spaced data. There are two nmrPipe packages for the Generalized Fourier Transform ...
Peter, Using an FT based method will not give you the best result. The problem is that the PSF (which is simply calculated by setting all the points collected...
Maciejewski,Mark W.
markm@...
Dec 10, 2008 2:49 pm
1824
Hi all ! Interesting discussion. I've just few comments: 1. Our MFT software avaiable on the website processes 2D,3D and 4D data. However, the biggest gain is...
Greetings, All! Ok, NMRPipe actually has some of its own facilities for Non-Uniform Sampling (NUS) reconstruction, including a reasonable MEM implementation, ...
Hello there, Thanks for the guidance. I'm aware that generalized FT methods introduce artefacts, but I was worried that MEM methods might be prohibitively...
Starting data: HSQC 512 complex points x 128 complex increments. The MEM scheme below took 2 min 24 sec on my Dell laptop, vostro 1700 2.0GHz intel core duo...
Peter, My two cents. I can't speak for Pipe but the MaxEnt algorithm in RNMRTK is extremely fast, esp. on dual or quad cores. Â There is little practical...
Hi there, Thanks for the information - any processing time less than 5 minutes would be completely fine, so I definitely will try this out. Yum, humble pie... ...
Hi there A small basic question: When I process xz plan of 3d HNHA experiment, I see the diagonal of hn correlation but when process 3D (xyz) I see only the...
Hussan, Syed (NIH/NID...
hussans@...
Dec 22, 2008 10:32 pm
1831
Hi, in HNHA diagonal and cross peaks have opposite phase: may be you simply need to plot negative levels. Bye, Marco Happy holidays ... Dr.Marco Sette, Ph.D. ...
sette@...
Dec 23, 2008 11:43 am
1832
Ok, Lads and Lasses ... The first point in a time domain sequence is equal to the sum of points in the corresponding frequency domain. So, when you process...
Dear all: I run IPAP-HSQC for measure RDC on Varian machine. After processed data using below script. the inphase spectrum is ok,but there is some strong...
Hi there a few things you may have/could check .... 1) I'd not do POLY in the real dimension 'til after you have processed the indirect especially if you are...
Hi,James thanks for your suggestions. I tried to processing it but it still no improvement. confusing..... Best ________________________________ 寄件人﹕...
Try this macro. Use -cList 1 1 for inphase and -cList 1 -1 for antiphase.. ... #!/bin/sh nmrPipe -in 50-HN-IPAP-test.fid \ ... -out 50-HN-IPAP-test-AP.ft -verb...
Hi everyone! I recently switched to a Mac OSX and Im having trouble running a rearrange.com file for a TOCSY experiment. It runs fine on linux...anyone have...
Frank In your description about the chemical shift analysis you cite the paper from Johnson et. al, Biochemistry 1996, 35, 13895-13906. As far as I can tell,...
Markus Voehler
m.voehler@...
Jan 23, 2009 3:27 pm
1840
Melissa, Can you please attach the script you are trying to run? And can you elaborate on trouble? Without seeing it, my initial guess is a byte swapping...
Hi Markus, I can't speak for Frank, but Ad encouraged to use the equation from Grzesiek, S. et al. (1996) Biochemistry 35:10256. Dav = sqrt( [(change in HN...
Nicholas Fitzkee
nfitzkee@...
Jan 23, 2009 4:16 pm
1842
Good morning, Whats a rearrange.com? Fid.com? On 23-Jan-09, at 6:31 AM, "dr_domincanchick"...
Nick Thanks for your response. This actually makes a lot of sense and the reference points exactly to Frank's procedure in NMRPipe. The factor of 0.2 squared...
Markus Voehler
m.voehler@...
Jan 23, 2009 8:31 pm
1844
hi Markus, One alternative way is to take the distributions from the BMRB for the H and N shifts and then weigh them according to the widths of these ...
Hi everyone! I recently switched to a Mac OSX and Im having trouble running a rearrange.com file for a TOCSY experiment. It runs fine on linux...anyone have...
Greetings all ... These are all good approaches to finding a suitable coefficient for combining HN and N chemical shifts. My intent was simply to weight the...
Well its a file that I used to simply change the axis on a TOCSY experiment that I processed. So instead of going through a H plane, I go through an amide...
Dear Colleagues and Fellow Pipers: As with last year, my web site (www.nmrscience.com) includes a list of events for the year where I?ll make presentations....
Hello Pipers: I want to combine a set of similar 2D spectra (data collected seperately, one parameter change) into one cube. I know it's possible, but whatever...
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