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)
I am currently facing challenges with exporting files in Sirius 5.8.3 on Mac. Specifically, I am unable to export the following three files:
id/formula_candidate.tsv
id/structure_candidate.tsv
canopus_summary.tsv
Despite executing the provided command:
-o {odir} -i {mgf} formula --profile qtof --database all '\
' --candidates 50 --ppm-max-ms2 10 '\
' zodiac --thresholdFilter 0.98 fingerprint structure --database all canopus write-summaries'\
The exported files I currently have are:
canopus_compound_summary.tsv
canopus_formula_summary.tsv
canopus_neg.tsv
canopus_npc_neg.tsv
canopus_npc.tsv
canopus.tsv
compound_identifications.tsv
csi_fingerid_neg.tsv
csi_fingerid.tsv
formula_identifications.tsv
report.mztab
I am seeking guidance on how to rectify this issue and successfully export the three mentioned files. Your assistance in this matter would be highly appreciated.
Good evening,
I am currently facing challenges with exporting files in Sirius 5.8.3 on Mac. Specifically, I am unable to export the following three files: id/formula_candidate.tsv id/structure_candidate.tsv canopus_summary.tsv
Despite executing the provided command: -o {odir} -i {mgf} formula --profile qtof --database all '\ ' --candidates 50 --ppm-max-ms2 10 '\ ' zodiac --thresholdFilter 0.98 fingerprint structure --database all canopus write-summaries'\
The exported files I currently have are: canopus_compound_summary.tsv canopus_formula_summary.tsv canopus_neg.tsv canopus_npc_neg.tsv canopus_npc.tsv canopus.tsv compound_identifications.tsv csi_fingerid_neg.tsv csi_fingerid.tsv formula_identifications.tsv report.mztab
I am seeking guidance on how to rectify this issue and successfully export the three mentioned files. Your assistance in this matter would be highly appreciated.
Thank you in advance for your time.