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In the code, folders, and descriptions.
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Would you all be interested in working on this together with the GNPS Mass Spec Calculator?
I think we could totally benefit from what you all are doing and making it in web api form. We have a ru…
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Hello, I'm trying to run NRPminer but an error appears :
Traceback (most recent call last):
File "/data/ccms-gnps/tools/nrpminer/nrpminer/nrpminer.py", line 250, in
args.minAdomainscore, max…
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Compares 5 scores from GNPS Networking in interface.
@ka-west
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I'm having difficulty to export my DIA (MSall) data to GNPS in version 5.1.230222. On the "export alignment result" function, does not exist the option ``export to gnps`` as in previous versions, and …
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Good day!
I work with GC-MS data (from Single Quad). Before uploaded files into the GNPS, I have got a specific feature list from the MzMine 3 (Export feature list through the GNPS-GC-MS (with ADA…
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I have been running MSDIAL based FBMN analysis. My data is from Thermo Orbitrap. I always get this error:
Columns (0,1,2,6,7,8,9,10,11,12,13,14,15,16,17,18,22,23,24) have mixed types. Specify dtype…
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Hi,
Thank you for these detailed notebooks and workflow.
I managed to get to notebook 4 with my own dataset but in step 3 for MSMS clustering, when I try to run the line:
`spectra_clustering.…
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Hi,
I hope you are doing well,
I ran MolDiscovery on GNPS and it didn't give any results. I used .mgf file exported for FBMN in MZmine3. Apparently, it runs without any issue, but I don't get a…