Comments (2)
lgatto
commented on July 17, 2024
Features like ms purity, or, more specifically, purify/signal to noise or one peak or a region are also of interest to me. If there are new/specific features/functions we need, if might be useful have them in MSnbase or even another dedicated package.
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jorainer
commented on July 17, 2024
Yup. Agree. My idea was CompoundDb serves as sort of database backend (with data from Massbank, HMDB etc) and spectra processing/comparison functions needed being added to MSnbase.
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Related Issues (20)
- Create an IonDb with all theoretical adducts for a CompoundDb
- Function to combine/concatenate CompDb databases
- Add an insertCompound function HOT 1
- Availability of functions to create empty CompDB and insert and delete compounds HOT 2
- Seeking suggestions for database development (HMDB version 5) HOT 2
- Pass skipErrors to read.SDFset through compound_tbl_sdf? HOT 4
- Avoid storing the DB connection within the object
- Rename table "compound" into "ms_compound"
- Implement a StandardsDb that extends CompoundDb HOT 11
- Update the MsBackendCompDb HOT 1
- insertIon method HOT 4
- non integer msLevel values HOT 3
- Add possibility to delete (inserted or existing) ions or MS/MS spectra
- Prepare for Bioconductor submission HOT 3
- Arbitrary columns in insertIon
- Transfer of CompoundDb
- Support import from MoNa MSP files HOT 1
- custom Db - spectra and ion Db questions HOT 2
- Issue with GitHub install of CompoundDb HOT 3
- mass2mz method for CompDb HOT 6
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