Louis-Félix Nothias
Louis-Félix Nothias
Actually, maybe there is a way to change the default peptides in the prepopulated list ?
Those were tested in my test environment are working smoothly.
It works well in my test environment.
The m/z values are shifted by 2 Da between what is shown in the network visualizer/cytoscape and the actual data. This could be specific to negative ionisation mode data. See...
Maybe we should make the link out into a new subsection of results page: "Advances Annotation Tools" Currently they are under "Advanced Views - Experimental Views". If it is just...
Adding these here for remembering. - Reorder the results by scale order: Formula / Class / Structure - Rename results page to prop the educate on the tools: Molecular formula...
None of the parameters are described in the toolbox (mouse-over) or in the documentation (only couple are in the documentation and pretty cryptic). https://ccms-ucsd.github.io/GNPSDocumentation/gc-ms-deconvolution/ @aaksenov1
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/