NMR data from the NMR Spectrometers in the CRL can be processed on local computers using appropriate software such as XWINNMR, ACD, MESTREC, or NUTS. We have various handouts available for download which provide instruction on how to use these packages (listed below) and instructions on how to download NMR data from the spectrometers are detailed on a separate web page (viewable only within the Oxford University network).

Our current data processing packages are summarised in the table below:

Software	Computer Platform	Comments
XWINNMR (Bruker)	SG, PC	Available on NMR lab. workstations only. 1D-3D processing
TOPSPIN (New Bruker)	PC	Available on NMR lab. workstations only. 1D-3D processing
MESTREC	PC	Free/Cheap software from MESTREC. Both 1D and 2D versions highly recommended.
ACD	PC	Chemistry site license includes 1D Processing, Databasing and Prediction tools. More info.on our ACD software pages
NUTS	PC, Mac	Chemistry site-license available. 1D (NUTS-lite) version only. contact tim.claridge@chem.ox.ac.uk
SWAN	Mac	Free software for Macs from SWAN-NMR. (Now rather dated)

The Bruker software stores raw data and processed spectra under defined files names within the experimental data set folder, thus:

• 1D processed spectra are stored as the file 1r within the pdata folder under the main data set folder
• 2D processed spectra are stored as the file 2rr within the pdata folder under the main data set folder

Importing these files into, for example, ACD or MESTREC will allow you to interact with the spectra directly without any need for further processing. Processed data are removed from the spectrometers periodically so these files may not exist for older data or for those in the NMR archives.

• 1D raw data are stored as fid in the experiment folder
• 2D raw data are stored as ser in the experiment folder

These files need to be imported when the processed spectra are no longer available and will have to be transformed into the corresponding spectra after importing.

Handouts

• Basic processing techniques (PDF file)
• NMR data processing with XWINNMR (PDF file)
• Plotting NMR spectra with XWINPLOT (PDF file)
• NMR data processing with NUTS (1D) (PDF file)
• NMR data processing with MESTREC (1D) (PDF file) These instrucutions were written for version 2.3.
• NMR processing, databasing and prediction with ACD- brief user guide (Word file)