sirius
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sirius-ms
SIRIUS is a software for discovering a landscape of de-novo identification of metabolites using tandem mass spectrometry. This repository contains the code of the SIRIUS Software (GUI and CLI)
Since Tuesday 5/2 I have been unable to access any of the web-based computational tools using the GUI. I was using v. 5.6.3 winx64 when I first encountered the issue....
After running data using Sirius, I forgot the parameter settings used during computation. So how should I retrieve the runtime parameters? Thank you for the reply.
I have tried to create custom database in SIRIUS 5.6.3, just by clicking on database and adding the SMILES it doesn't create it. I believe there is a problem that...
Dear Sirius team, I recently imported an mgf file into Sirius which contained data on about 5000 features. I then submitted my features to Sirius, selected my parameters (only selecting...
Hey guys! I have a couple of questions about CSI:FingerID structure prediction scores: 1. Is there a way to interpret the `CSI:FingerIDScore`? I know it is hard, but I was...
Hi, I was wondering if there is a way to access the Tanimoto similarity score (xx%), which is shown below the structures in SIRIUS, after exporting the project/summaries? In the...
Hello! Thank you for the great tool. If possible, I wish to speed up the computation in the GUI by filtering to a list of a few hundred specific molecules...
Hi, it would be great to provide a version number of the file format of a *.ms file in one of the next iterations. Yours, Steffen
Hey all, as discussed earlier, I'm working on a MZmine integration for importing results from a Sirius Project and Running Sirius from MZmine via the CLI. - [ ] Import...
Hi, I'm analyzing the MS spectra of a chemical standard glyco-benzofuran: [http://www.chemspider.com/Chemical-Structure.22370036.html ](url) which seems to get naturally protonated in the MS - and so I defined the 'ionization' field...
