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PNNL-Comp-Mass-Spec / LIQUID

Software tool for identifying lipids in LC-MS/MS-based lipidomics data
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Synchronization between GUI and TSV result output #3

Open tobigithub opened 7 years ago

tobigithub commented 7 years ago

Assume a normal workflow with the Liquid GUI open for visualization and the result sheet exported to EXCEL. How can I connect or synchronize the scans between the GUI and the EXCEL result list? Lets say i want to look at scan number 8405 in EXCEL and then check the specific scan number in the GUI. Currentl;y that is not possible, my results range up to 9000, the GUI scan numbers up to 15,000. (There might be an issue that they can not be synchronized due to HCD and CID spectra mixed in the result sheet.)

Would it be possible to include the scan number in the result sheet? Also would it be possible to mark if the scan is coming from HCD or CID? Because the Liquid GUI annotates that, but in the result sheet the information is lost.

GrantFujimoto commented 7 years ago

Currently the result sheet already contains the MS/MS scan number. (See highlighted images) liquid_scan_highlight_output liquid_scan_highlight Also, the CID or HCD annotation should be able to be added to the result sheet relative ease. I will try to add it during my next round of changes.

tobigithub commented 7 years ago

Thanks, I actually did not see the MS/MS scan number before, but surely I do now.