Comments (3)
No, I was using compareSpectra to compare its features with the annotate
function of MS2ID. I'll be more than happy to check your new matchMz :)
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@stanstrup , @jmbadia , did any of you use the annotateMz
function? I would like to remove that because we have a matchMz
function in the MetaboAnnotation
package that has more options and is better.
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CompoundDb was submitted to BioC - waiting for review.
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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
- Replace mass2mz and mz2mass with the ones from MetaboCoreUtils
- 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
- 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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