Hi conggangli, you don't sample only one point but in your pulseq the loop goes from 1 to par(cycle) which amounts to 10 points. So if you want to have signal...
I want to write a program to simulate a MQMAS experiment by SIMPSON,By using "direct method", it seem to spend too much time by PC.Who can tell me whether...
gcompute may only be used to evaluate a pulse sequence which is periodic with the rotor period. Thus, for calculation of a mqmas experiment it is not ...
Did anybody try to install SIMPSON on Mac OS X? It *should* work as any Linux / Unix system provided it has the correct libraries but I would prefer to know...
Hi everybody, now that I'm a "member" I'm going to use this privilege! I was wondering where you guys were getting your CSA parameters from, for "common"...
Hi Dror, ... The 13C CSA of the twenty amino acids can be found at C. Ye and coworkers, Magn. Reson. Chem. 31, 699-704 (1993) ... The carbonyl CSA is kind of...
I have not built it recently, but I have been running it on my OS X box since 10.1.3. There are now newer gtk libs and tcl/tk than I used to build it out...
For simulating a FASTER MQMAS experiment,I wrote a program by SIMPSON,but I couldn't get a correct spectrum I want,who can help me and tell me the reason? #...
Dror, Andy, et al., Some time ago Andy shared his 10.1.3 build with me and I used it without problems, although as I recall Simmol was not functional. Then I...
Hi again, I am making some progress but still not quite there. Here is the summary of what we have done and results: 1. Running Mac OS X 10.2.4 (build 6I32)...
Hi Chad, I agree with you in that the problem seems to be that there somewhere in the Mac OS X headers is defined a structure _complx like we do in simpson. ...
Hi all, I had come to a similar conclusion and renamed it as well. However, the next thing that fails is malloc.h. I'm still looking at the differences here vs...
I know this is rather primitive, but presently the simpson code is not parallel. The only way to take advantage of the two CPU's is to run in cluster mode and...
Hi, I've been working on some QCPMG simulations. The simulation always has a spiklet at 0, which doesn't usually exist in my experimental spectrum, and...
Hi Kirk, the QCPMG experiment always by definition has a spike on the transmitter. all spikes are at an even frequency from there. If your lineshape is not...
Thanks Andy, I see what your saying and understand that a specific spiklet will not correspond to d(iso). We have encountered the null do to the DC offset...
Hi, In the original Simpson paper, where minimization using simplex is described, the parameters "lb" and "scale" are shown as being optimized. I am trying to...
Hi Dave, I have no problems in optimizing "lb" when I try to extract CSA parameters from a static spectrum: ... proc minuit {} { global ... set f [fsimpson...
Hi All, I have been using Simpson 1.1.0 up until now. Upon switching to 1.1.1pre11 for Windows, I get the following error after running a simple 1D simulation...
I want to simulate a recoupling experiment ,the spinsystem is a pair of quadrupolar nuclei.(11B-11B).I don't know how to select the triple- quantum and...
Hi, I have been having difficulty simulating 1-D spectra using various pulse sequences. Specifically, I am unable to acquire a sensible looking FID, and was...
I'd like to know the real value for Cq which I use in my MQMAS simulation! What's the exact value for Cq, when I write: "quadrupole 1 2 1.2e6..."? In JMR...
This is a typing error in the simpson paper. The quadrupole coupling is specified in Hz (revolutions per second) and not in angular frequencies. That is, you...
Filter or not Filter... this is the problem!!! I say to SIMPSON selects coherence {-1} and detects coherence {-1}: It doesn't work! I say to SIMPSON...
Hi, I am trying to simulate the REDOR dephasing curve with Composite 180 pulse in Dephasing channel. Can some one tell me what is wrong with this programme...
I am trying to do some simulations on 99Ru but they don't seem to be included in the isotope table. Can someone tell me how to add isotopes to this table?...
Hi, I'm a new SIMPSON user and am trying to learn the basics of the program. When I try running the ex01rr.in file that's included as Example 1 in the JMR...
Can you tell us which operating system you're using? Thomas ... -- ********************************************************* Thomas Vosegaard Laboratory for...
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