We will receive shortly (September 2011) 3 new computers to run the Avance-300, 400 and 500. These PC will use the TOPSPIN software. To learn how to use the TOPSPIN software, you can consult the following Pages .
This page of NMR Facility website provides a variety of information about the
Facility, available spectrometers, charges (external), and policies.
We will receive shortly (September 2011) 3 new computers to run the Avance-300, 400 and 500. These PC will use the TOPSPIN software. To learn how to use the TOPSPIN software, you can consult the following Pages .
We have acquired a new computer for data processing. It is equiped with MNOVA and TOPSPIN software. For procesing with TOPSPIN, I have written a document and a power point presentation that you can look at to familiarize yourself with the software. You can also look at processing T1 and DOSY on TOPSPIN or if you prefer have a look at the power point presentation.
The Aldrich/ACD library
of FT-NMR spectra on CD-ROM have been installed on the Windows-NT computer in
the NMR room. You can search the database by Aldrich or CAS number, by molecular
formula (or any other properties). You can also search the data base by drawing
a structure or substructure using the ACD drawing program. You can also compare
your own data with a reference compound. The guide for using this software can
be consulted on site. You can also download a
copy of this guide by clicking here.
You can also download 
the Movie if you prefer.
ACD-prediction software
(for predicting H-NMR and C-NMR spectra) is also installed on the windows-NT
computer in the NMR room. You simply draw your molecule and click on the prediction
button to get a calculated spectra. If you wish to consult the guide on how
to use the software, you can consult the Proton predicting
software guide, the Carbon predicting software guide,
or you can download the proton-prediction
movie or the carbon-prediction
movie.
Useful
NMR resources from the Web
The data can be retrieve directly from the spectrometers disk (or any computers in the research wing of the chemistry department) for future processing. Off-line processing can be done with several software (freeware). One of the very good freeware for students that can do 1D and 2D NMR processing as well as structure drawing is the ACD program. Another interesting Freeware is Spinworks that can do 1D, 2D processing as well as curve fitting and spin simulation.
A PC computer running under XP-Windows offers Bruker AVANCE software (same software as on the 400 and 600 spectrometers). It can be used for processing 1D and 2D data files.
The spectrometer disks are mapped directly on that computer: therefore processing can be performed easily. The Aldrich data base library of H and C-NMR is also loaded on that computer to provide easy comparison with reference spectra. This computer is also equiped with ACD-prediction software for 1H and 13C-NMR.
A second PC running also under XP-Windows offers ACD-processing software (1D
processing only), as well as predictions software for 1H and 13C-NMR.
You should copy your data files on your computer's disk or on the NMR-PC disk for archiving as soon as possible. The data on the spectrometers will be left only for 1 month on the disk. BE SURE TO BACKUP YOUR DATA BEFORE IT IS ERASE! The NMR lab archive data to a large disk every 2 weeks.
.
send your comments to: Françoise Sauriol sauriolf@chem.queensu.ca
Last updated on: June 21, 1999
