NMRPredict Help

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  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, H and I and contain a total of 193,352 records
  • Optional databases supplied by Wiley are databases C, D and G and contain a further 185,517 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 86,480 such records are available