NMRPredict Help

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

Importing ACD C13 and X-Nuclei Databases

First open an SDF file which contains your assigned database. This could be a database you have built manually as an SD file or, more likely, is an export of a database you previously built using the ACD software.

It is possible to inspect the file by running the inspect command. This will look at every structure in your SD file and report any problems in a log file.

You should choose a four letter source ID for your data and a database (from N to Z) which you want the database built into.

If you want to import attached text information contained in your SD file select the "Map" icon and map the fields in the SD file to the fields available in NMRPredict. There are eleven fields available.

It is possible to import individual records from the SD file or all records by choosing either "Import This" or "Import All".