Hi Kamal, I have been working on a couple of scripts – they are not yet completely debugged, but work reasonably. I have attached them to this email. Thomas ...
Dear colleagues, I am working on a new visualisation NMR tool which should be suitable both for simulated and experimental data. It is now able to read and...
Dear Colleagues, I would like to run explicitly through specific phase cycles in my Simpson simulations. The full phase cycle is rather large, but there are...
It is a relevant question, but I am afraid there is no simple solution to your problem. It is not possible to calculate the propagators outside of the pulseq ...
Hi, I've installed simpson etc as per the instructions in this post. Simpson seems to be working but I'm having some problems with simplot. I get: dyld:...
Unfortunately I have never been able to build simplot from the latest source (1.1.1). The binary I had form the pre releases worked just fine though on 10.4.x....
Hi Andy, I haven't been able to build simplot either - I have used your old compilation. It is wierd that something changed from old to new source - I can't...
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Hello all, I'm observing the MAS powder pattern 3/2 system. I'm interested in loop the offset of irradiation and get only the firt point of the fid. In other...
Try use during the acquisition: #acquisition matrix set detect elements {{3 4}} acq for {set i 1} {$i < $par(np)} {incr i} { delay [expr 1e6/$par(sw)] ...
Hello All, I would like to know how can I get the counters (index) to use as variable. For exemple, If you declare "verbose 1101" you will see: [index of each...
Hi Fabio This is a feature which is not directly available - we could consider including it in future releases. Regarding questions 2 and 3 you control this...
Answer: Create the indirect dimension. Excite with different offset. Return the offset to zero to acquire the point. Don't use pulses too short (0.001us) as...
Hello. I would like to know how to get a powder-averaged average Hamiltonian. As far as I understand the 'matrix get avgham' returns an average- hamiltonian...
Hi there, I want to calculate a 91Zr qcpmg spectrum with two component. For example, one with 91Zr QCC = 4 MHz, one with 91Zr QCC = 2 MHz. I believe the line...
If these spins are not interacting (say dipolar coupled) then I would do 2 separate calculations and add them. You just have to add another fsimpson call where...
Hi, I certainly agree with Andy that you should simulate two individual spectra and add them together. But to answer your question about the matrix set command...
Hi! Thank you for making such a powerful tool! I want to make just a MAS NMR spectrum. But I couldnt do it. Output spectrum is not absorption spectrum... This...
I select I1c to start, and also use I1c to detect, however, I can't get any signal? spinsys { #HMQC: receiver 27Al channels 27Al nuclei 27Al shift 1 0 0 0 0 0...
You need to start on an axis. For your sequence try I1x and it should work. Andy Andrew S. Lipton Macromolecular Structure & Dynamics Environmental Molecular...
My another question is that I want to do a halfecho experiment in quadrupolar system, thus I want to use soft pulse to select center transition. That means I...
Are there any answer? Or are there any mistakes in my question? I want to make MAS NMR spectrum. But I couldnt get such a spectrum as absorption shape. How can...
In your simulation you make a 90 degree pulse between every sampling point. I believe you want to make a 90 degree pulse prior to sampling. Thomas _____ From:...
--Thank you for your replying! How is this input file? Collect or not? I couldnt get proper result. spinsys { channels 23Na nuclei 23Na quadrupole 1 2 40000...
Hi, collegues, I am a new guy in this group. I like simpson simulation very much! it is very powerful! I made the static DFS file for 23Na. the result looks...
Are there any answer? I made another script for calculating MAS NMR Please help me. spinsys { channels 23Na nuclei 23Na quadrupole 1 2 9000000 1 30 30 30 } ...
Could you be more specific about what kind of problems you are experiencing. Your input file seems correct although there are several things that will cause...
Thank you for your replying! Im just a begginer user. So I want to learn how to use simpson. But I couldnt found example for MAS NMR (simplest?). I want to...
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