How can I add compounds to my library?
8 February 2016 Comments Off on How can I add compounds to my library? FAQ - Compound Libraries
To add compounds to the library, you need to acquire spectra of the compounds under conditions similar to those you expect to encounter in your experiments. Once you have these spectra:
- Process the spectra in Processor and save them as .cnx files
- Overlay a .cnx file in Spin Simulator and fit it (see the Spin Simulator tutorial in the User Guide for details). Save the simulation as a .xss file.
- Import the .xss file in Compound Builder, and overlay the .cnx file. Refine the fit to match the acquired spectrum (see the Compound Builder tutorial in the User Guide for details). Save the signature as a .xcpd file.
- Import the .xcpd file using Library Manager. Make sure that the new compound appears in at least one Compound Set.
- Use the new signature in Profiler. Make sure that at least one compound set containing the new compound is selected to see the compound in Profiler.