Open
2 of 18 issues completed
Description
Here is a todo list for all of us :)
Points to be adressed:
- mzQC generation mzQC support #6 (@julianu )
- DIA Support (@julianu , @di-hardt Extending to DIA #17 (Library based search, but if not library provided, we just skip the identification DIA Metriken hinzufügen #30)
- Quantile Metrics (and automatic documentation? Export list of features from hdf5 #116 of all metrics, @MaikeWeb Quantile metrics also from other time-dependent numbers #20)
- Variable Decoy Generation (, should we use an external tool for this? OpenMS Decoy Generator, @Luxxii Target/decoy-database #28)
- NEEDED BEFORE: Docker Images publicly available (Make docker accessible #115 @julianu @di-hardt ), then: Unittests (and single subworkflow tests) ( @Luxxii , @julianu , @di-hardt , Tests einführen (Unittests / Vis Tests) #33)
- Wombat has already small RAW-files
- Subtest Units Visualisierung vom MCQuaC Workflow Ablauf (Metroplot) #41 we generate the metroplots in the github actions! ( @MaikeWeb , @di-hardt )
- Documentation pages #43 WIP Documentation (Change to github pages, Julian, then if there is time @ALL)
- Only have a single configuration file for everything which needs to be set up Central Configuration file (for machines?) #74 ( @julianu )
- TIM Check for the 3 calibrants TIMSTof: plot intensities of calibrants over time #77 (@SvitiMPC , @Luxxii )
- HDF5 documentation update for the spike-in metrics (Update info with default=-1) LOCAL:30, SPIKE_..._RT_at_Maximum_Intensity = -1 if run is shorter than the expected retention time #90 (@KarinSchork , @julianu )
- TIC quartiles issue TIC quartiles dont add up to 1 for short Bruker runs #91 (@KarinSchork )
- Feature Charges are currently reported as total numbers, not as fractions (@julianu , charge of features should be given as relative instead of absolute number #95)
- Add flag, so that those files can also be added to the HDF5 (also make this configurable) ( @julianu PIA metrics: should we store all results #106 )
- Usage of mzML with our workflow (@Luxxii will try it Support mzML as input #117)
- Smaller workflow for visualization (@KarinSchork Small visualizer Workflow #108 )
- Check for the Thermo TUNE headers (Thermo "TUNE" Headers have different length #111 @KarinSchork @Luxxii )
- Cleanup everything ( @di-hardt Clean up source and general folders #114 )