GNPS_Workflows
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CCMS-UCSD
Public Workflows at GNPS
Test job https://proteomics2.ucsd.edu/ProteoSAFe/status.jsp?task=115f050570ad4972a67f2df929385eac Contains Feature 1111, m/z 391.23, C15H30N6O6 (correct formula, z=0) currently annotated as C17H34O10 (399.2230 m+NH4+) ppm > 1000 and Feature 4664, m/z 262.127, C13H15N3O3 (correct formula, z=0)...
Test job https://proteomics2.ucsd.edu/ProteoSAFe/status.jsp?task=115f050570ad4972a67f2df929385eac Contains Feature 5264, m/z 276.082, C12H18ClNO2S (correct formula, z=0)
The repo: https://bitbucket.org/iAnalytica/mshub_process/src/master/ Everything should be the same as for the low res version. The code accepts both high and res low data (and determines which one it is), the...
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
1. Renaming File to .msp 1. Adding Download to result page
This will import a task and copy all the input files into a separate protected space so that we don't accidentally delete it. Likely will do with massive dataset that...