Hi again, I have seen that one can directly incorporate Bruker shaped files into the simulation. Can one incorporate DFS or Hyperbolic Secant shapes as well?...
Dear all, I want to apply shaped pulses of the type DFS (Double Frequency Sweep) and Hyperbolic Secant. Can anyone give me some suggestions as to how to...
Hi all, Simulating a spinning deuteron spectrum seems to require a large number of powder points-- if I use another simulation engine that uses ZCW alpha,...
Hello All, I recently installed SIMPSON 1.1.2 on a new Linux machine (CentOS 5.3 64 bit). Everything runs fine except MINUIT optimization. I get the following...
Hello all I'm doing some simulations on various quadrupolar nuclei and am interested in extracting the full density matrix at various points in time during a...
Hello I'd like to fix the amplitude of a pulse shape element while the pulse is being optimized. I have tried the following: proc main {} { global par rfsh ...
Dear all, I'm a relatively new SIMPSON user.I have simulate the simple 1pulse spectra with two 1H located at -5p and 3p. But when I change the spin_rate,...
Hello, I've been trying for several weeks to output the SIMPSON 1.12 simulated PISEMA spectrum of example 8, from the original Bak et al. (2000) SIMPSON paper,...
Hello, I have been trying to use Simpson(Tcl) to read nmrpipe binary file and not succeeded yet. I first remove the header in the nmrpipe file using the...
Dear All, I have been trying to put Bruker shape file in simpson program. The atachement Dr. Thomas Vosegaard has provided long back (Nov 19 2007) is not seen....
Hi everyone, I'm trying to simulate a 2D Heteronuclear Correlation sequence found in this paper: R. Fu et al 2007, Journal Magnetic Resonance 118 41-48. I'm...
Hi Everyone, I want to generate a two-dimensional grid of CSA lineshapes with delta and eta. Is it possible to do that with SIMPSON? What is the command? ...
Hello Everyone, I am trying to simulate 1H-15N dipolar lineshape using R18(1,7). I have attached my simpson code at the end. I get the following error message...
hello, i'm a new simpson user, and i was playing with the optimal control features. i was trying to create a simple coherence transfer from Ix1 to Ix2 on a 3...
Dear simpson users, From the testing version 2.0.1pre4 <http://www.bionmr.chem.au.dk/download/simpson/2.0.1preXX>, there is a new behavior for cluster...
I'm hoping someone with more SIMPSON experience than me can help me with this problem. I'm trying to do a fit with minuit of a vanadium MAS spectrum, but I...
Dear all, I want to simulate the line shape of a spin 1/2 nucleus directly bonded to one or two quadrupolar nuclei. Some years ago this was already discussed...
Hi all I have made these two commands available. The commands take the shape file name and optionally the nominal rf field strength of the shaped pulse as...
Hi folks, I am trying to simulate a static spectrum which combines the second-order quadrupolar coupling and chemical shift anisotropy. I set the angles for...
Hi all, I tried to simulate a D-F REDOR-type curve between a single deuteron and a single fluorine atom. To better refocus the quadrupolar interaction, I used...
Dear SIMPSON users I am happy to announce the release of SIMPSON version 2.0. As you see this is a major release now introducing the optimal control...
Hi everybody, Recently I want to use the 'mncontour'to plot the contour of csa and eta. But I always got the error message 'invalid parameters'. Any help will...
Hi everyone, I read Thomas Vosegaard's post in March about how to get SIMPSON running in parallel on UNIX computers and now I'm curious: how difficult would it...
I want to simulate the 2nd order quadrupolar effect. I found out that when I only use 1st order quadrupolar interaction, the results keep more or less...
Hi, I was wondering as to what the two columns are in the .fid output file. I know that the first column is the real signal in the time domain and the last...
Hi guys, I'm a relatively new SIMPSON user. I've managed to figure quite a bit out on my own, with much struggling, but there is something I cannot seem to...
Dear all, I'm trying to simulate stmas experiments with simpson 1.1.2 (linux) but I run into synchronisation problems. I tracked the problem down to the use of...
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