Recent Posts

1

Updates and Messages / SpinDynamica publication

« Last post by MalcolmHLevitt on August 21, 2017, 06:06:18 PM »

The first peer-reviewed publication on SpinDynamica, which describes its architecture and major principles, and also gives some examples, is now in press.

Find it here: http://onlinelibrary.wiley.com/doi/10.1002/mrc.4642/full

2

Updates and Messages / SpinDynamica 3.0.1 released

« Last post by MalcolmHLevitt on August 21, 2017, 06:03:56 PM »

A substantial revision of SpinDynamica has been released as v3.0.1.
It may be downloaded from www.spindynamica.soton.ac.uk.

Many thanks to Christian Bengs for a lot of help with the recoding and debugging of this new release. It would have been impossible without him. 

enjoy!
malcolm

3

Bug reports / Re: PlotLabel: The specified setting for the option FontSize cannot be used.

« Last post by MalcolmHLevitt on August 21, 2017, 06:00:22 PM »

Hello Andy,
 I don't know the reason for this behaviour, but I find that it has solved itself in the new release SD3.0.1!
malcolm

4

Bug reports / PlotLabel: The specified setting for the option FontSize cannot be used.

« Last post by aliwang on August 12, 2017, 03:10:20 AM »

Dear Malcolm,

I am using:

Mathematica 11.1.1.0
SpinDynamica version 2.14.3

When trying to use PlotLabel *and* SpinDynamica, I get the following error:
The specified setting for the option FontSize cannot be used.

My regards,
Andy

5

Simulations / Re: Dynamic 2H lineshape fitting

« Last post by kuprov on January 25, 2017, 10:49:48 AM »

Can that be modelled in the same way as chemical exchange? If yes, then just specify three instances of the entire spin system and set up the exchange process as described here:

http://spindynamics.org/wiki/index.php?title=Chemical_kinetics_parameters

6

Simulations / Dynamic 2H lineshape fitting

« Last post by dkubicki on January 25, 2017, 10:47:00 AM »

Dear Ilya,

Is it possible to simulate the effect of Markovian jump dynamics on 2H MAS spectra in Spinach?
I would like to simultaneously fit a set of 2H MAS spectra, featuring jumping -CD3 groups, acquired at different temperatures to extract the static EFG tensor and jump rate constants, just as it used to be possible with Robert Vold's EXPRESS (http://www.sciencedirect.com/science/article/pii/S1090780709000251) which, alas, is not available on-line anymore.
I'll be indebted.

Many thanks,
Dominik

7

General Discussion / Re: Zero Field NMR

« Last post by janicke on November 07, 2016, 10:35:13 PM »

Thanks a ton.  I will check it out.   

8

General Discussion / Re: SPINACH-Optimal Control Module-GRAPE-Example

« Last post by kuprov on November 04, 2016, 08:57:35 AM »

sorry for the slow reply -- this has slipped between the cracks somehow. Yes, Spinach returns the optimal waveform. If you would like to run a gate optimisation, specify multiple initial states and multiple destination states as cell arrays.

9

General Discussion / Re: Zero Field NMR

« Last post by kuprov on November 04, 2016, 08:55:55 AM »

It is possible, and examples that we did in collaboration with Dima Budker's group are already in the example set. See examples/nmr_zerofield folder.

10

General Discussion / Zero Field NMR

« Last post by janicke on November 03, 2016, 10:08:04 PM »

I'm am super new to very low field/zero field NMR. I would like to be able to take NMR measurements from high fields and calculate zero field spectrum.  Is this possible with SPINACH?