GNPS_Workflows
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CCMS-UCSD
Public Workflows at GNPS
**Description of the bug** Not all nodes with library matches present a "Top library match", and therefore, these will not present Compound_Name in the Cytoscape visualization. **Link to GNPS job**...
We need 4 test cases, 2 where it is working 2 where it is not working, but we expect it to work provide GNPS task IDs.
**Describe the bug** There is a problem running this job with the kovats index. I am not sure if the problem is because of the kovats table or if there...
There was a previous report of that https://github.com/CCMS-UCSD/GNPS_Workflows/issues/609 And this PR https://github.com/CCMS-UCSD/GNPS_Workflows/pull/727 should resolve the marker units problem and the kovatz equation.
1) Fix the RT units The documentation indicates the carbon marker file must be in minutes: See https://ccms-ucsd.github.io/GNPSDocumentation/gc-ms-library-molecular-network/ But the retention index calculation requires retention time in seconds. 2) Correct...
Currently, there is no web page for viewing/editing/downloading GC-MS spectral libraries available on GNPS. The doc is here: https://ccms-ucsd.github.io/GNPSDocumentation/browselibraries/