From: Sylvie Ducki (sylvie_ducki$##$yahoo.com)
Date: Fri Mar 10 2006 - 09:19:39 EST
Thanks.
Indeed the other emails did miss the point.... sorry for not being clearer in my explanation...
We are not after a software to predict NMR but indeed to get the NMR from the FID. We run the NMR on Bruker but then everyone uses the computer attached to the NMR to get their spectra, which means you wasting time on the machine ... We therefore saved the FID and each student has MESTREC on their computers and they can look at the spectrum, expand the regions they need, peak picking, integrals... They can't anymore.
Any more suggestions?
Sylvie
Darren Rhodes <darren.rhodes$##$gmail.com> wrote:
All ...
MestreC took as an input the FID data file from an NMR spectrum. The
software transformed this data from the time domain to the frequency
domain via the Fourier transform. The user could format the
subsequent NMR spectrum.
The suggestions thus far seem to miss this point. If you haven't used
MestreC you've missed out.
It was invaluable as a teaching aid.
It was invaluable for processing NMR FIDs that had been despatched by
email from an NMR provider.
It is tragic that the people at MestreC have gone down this line. Is
user pays the only business model for recouping money from software?
Wasn't there an open source Linux version called ... Swan NMR??? (Or
something????).
Darren.
On 3/8/06, Etienne van Zyl wrote:
> Sylvie
>
> ACD Chemsketch 8.0 freeware is available at this site:
> http://www.acdlabs.com/download/chemsk.html
>
> Suitable for Proton and 13C prediction - it may help.
>
> Etienne van Zyl
> Oxfordshire
>
>
>
>
> ----- Original Message -----
> From:
> To: "Sylvie Ducki"
> Cc: ;
> Sent: Tuesday, March 07, 2006 9:22 PM
> Subject: Re: ORGLIST: NMR spectra
>
>
> > Sylvie,
> >
> > I use the following websites occasionally.
> >
> > http://www2.chemie.uni-erlangen.de/services/spinus/
> >
> > http://www.nmrshiftdb.org/
> >
> > Hope it helps
> >
> > Ed Arruda
> > Senior Scientist
> > International Flavors and Fragrances
> >
> >
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