NMRPredict Help

		Help overview
		Running a Prediction
		Inspecting Prediction Results
		C13 NMR Prediction in Detail
		Proton NMR Prediction in Detail

Selecting Databases

Which C13 database to use can be selected in one of two ways:

• By selecting the Databases push button below the structure control screen
• From the Predict - Options - Database pull down menu

NMRPredict uses the concept of External and Internal databases.

• The External databases are those which come with NMRPredict
• The letters A-M are reserved for External databases
• The databases supplied by Dr Robien are databases A, B, F, H, I, J and K and contain a total of 340,785 records
• Optional databases supplied by Wiley are databases C, D and G and contain a further 185,507 records
• The Internal databases are those you build yourself
• The letters N-Z are used for Internal databases
• If you have purchased a database it is shown as being "Licenced"
• You choose which database to use for prediction or search by setting the "Enabled" column to "Yes" or "No"
• If you have purchased the x-nuclei databases these will show in the same way. A total number of 56,930 records from Dr Robien and 54,591 records from Wiley are available