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Currently USIs like this:
mzspec:GNPS:TASK-82c0124b6053407fa41ba98f53fd8d89-spectrum_library_mgf_splits/114.mgf:scan:1:[+42.011]-AAAAAAAAAAGAAGGR/1
do not parse because MassIVE does not support …
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I revisited our implementations for repairing parent mass and precursor mz and think we should change some things. I would suggest to never repair the precursor mz.
Many of the entries in GNPS ent…
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Hi yufree,
I am still trying to repeat your PMDDA workflow. And I have some question about the data used in this analysis.
For the raw data of samples, nist1950, you have five mzML files (for descri…
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Current Status: Merged code in and deployed to proteomics2 and testing
- [x] Adding tools
- [x] updating workflow xml to be compatible
- [x] Version
- [ ] Testing
- [x] Deployment to GNPS
- [ …
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And parse things like IONMODE, SMILES, SPECTRUMID etc for spectra.
Ionmode probably has a counterpart in spectra metadata.
SMILES would probably be a user parameter.
Spectrum ID is important too.…
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Hi Ming @mwang87 !
I, @lfnothias, and @hoseinmohimani have several requests & suggestions about updating [In Silico Tools](https://gnps.ucsd.edu/ProteoSAFe/static/gnps-theoretical.jsp) webpage. Some …
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**Is your feature request related to a problem? Please describe.**
For most of the compounds found in poison frogs I have felt frustrated because the Classyfire informartion is not available almost n…
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mzMine allows export to GNPS and MSP. Would it be also an option for MassBank? For sure, we have RMassBank, but maybe helpful for single spectra export? What do you think?
tsufz updated
6 years ago
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Hi Ming,
After running this job for around 6 days for the MSHub-GC it failed.
https://gnps.ucsd.edu/ProteoSAFe/status.jsp?task=e106198562bc41e4872d7c922db835a0
There is another job running in …
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Add button based on www.ms2lda.org/motifdb/create_motif_set etc
Only possible for experiments that you own and can edit.
Important: Block the example experiments?! (we have ones for GNPS and Mas…