RE: ORGLIST: NMR spectra

Date view Thread view Subject view Author view Attachment view

From: Bert Kruiswijk (e.kruiswijk$##$tiscali.co.uk)
Date: Fri Mar 10 2006 - 14:45:09 EST

I have been using for many years Delta from Jeol. You can download this
program from the Jeol website. You need to register but that is free. This
is a full commercial NMR program used to operate the NMR machine (if you
have magnet connected to your PC) and to work up FID. It can import all
different formats.
 
Bert.

  _____

From: everybody-bounces$##$orglist.net [mailto:everybody-bounces$##$orglist.net]
On Behalf Of Sylvie Ducki
Sent: 10 March 2006 14:20
To: Darren Rhodes; everybody$##$orglist.net
Subject: Re: ORGLIST: NMR spectra

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 transforme d 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
> >
> >
> > _______________________________________________
> > ORGLIST - Organic Chemistry Mailing List
> > Website / Archive / FAQ: http://www.orglist.net
> > To post a message (TO EVERYBODY) send to everybody$##$orglist.net
> > To unsubscribe, send to everybody-request$##$orglist.net the message:
> > unsubscribe your_orglist_password your_address
> _______________________________________________
> ORGLIST - Organic Chemistry Mailing List
> Website / Archive / FAQ: http://www.orglist.net
> To post a message (TO EVERYBODY) send to everybody$##$orglist.net
> To unsubscribe, send to everybody-request$##$orglist.net the message:
unsubscribe your_orglist_password your_address
> 

--
http://pgpkeys.mit.edu:11371/
Key ID:- 0xB76FE0B9
_______________________________________________
ORGLIST - Organic Chemistry Mailing List
Website / Archive / FAQ: http://www.orglist.net
To post a message (TO EVERYBODY) send to everybody$##$orglist.net
To unsubscribe, send to everybody-request$##$orglist.net the message:
unsubscribe your_orglist_password your_address

***************
Dr. Sylvie Ducki
email sylvie_ducki$##$yahoo.com
http://www.sciences.salford.ac.uk/chemist/Staff/sdres.htm
**************** 

  _____  

 
<http://us.rd.yahoo.com/mail/uk/taglines/gmail_com/photos/*http://uk.photos.
yahoo.com/> Yahoo! Photos - NEW, now offering a quality
<http://us.rd.yahoo.com/mail/uk/taglines/gmail_com/photos/*http://uk.photos.
yahoo.com/> print service from just 8p a photo.

_______________________________________________
ORGLIST - Organic Chemistry Mailing List
Website / Archive / FAQ: http://www.orglist.net
To post a message (TO EVERYBODY) send to everybody$##$orglist.net
To unsubscribe, send to everybody-request$##$orglist.net the message: unsubscribe your_orglist_password your_address

Date view Thread view Subject view Author view Attachment view

This archive was generated by hypermail 2.1.4 : Tue Feb 13 2007 - 14:17:01 EST