When the library files are defaulting to e.g. NIST08 and we want to force the system to use the new libraries, please follow these steps:
- Ensure that all .lib files are saved in the C:\GCMSsolution\library folder and delete/move any extraneous libraries before next steps.
- Open data file and on the top toolbar navigate to Qualitative -> Qualitative Parameters.
- In the Similarity Search Tab, delete all libraries in the boxes by highlighting and deleting.
- On the top toolbar navigate to Tools -> Set Default Library and delete all the libraries from all boxes here.
- Click File -> Save Data File so now we have a data file with no libraries attached to the data or the Default Libraries.
- Right click on the mass spectrum and click Similarity Search (this should give a "No Index Search Parameters" error) and Click OK.
- This should now give the option to populate our default libraries again. Click the "..." button, navigate to the C:\GCMSsolution\library folder and select all libraries to be used. Click OK.
- Now when you right click the mass Spectrum and click Similarity Search, this should give the Similarity Search results.
- Click File -> Save Data File. Close GCMSSolution PostRun, reopen and load the same data file. Navigate to Qualitative Parameters -> Similarity Search and check that the libraries are there, and in the Tools -> Default Library boxes.
- Click File -> Save Method As... and save the method either over the existing one or as a new method, with these similarity search parameters attached.
- For future data runs, use the newly saved method with sim. search parameters. Older data sets can be reprocessed in GCMSSolution Postrun using the Postrun Batch feature.
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