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rformassspectrometry
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CompoundDb
Creating and using (chemical) compound databases
https://rformassspectrometry.github.io/CompoundDb/index.html
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parallelized lipidblast and reads more info
#117
pratarora
closed
1 month ago
2
fix: ensure exactmass is numeric
#116
jorainer
closed
1 month ago
0
refactor: enable chunk wise import/processing of LipidBlast json
#115
jorainer
closed
1 month ago
0
Unable to read lipidblast-2022 data
#114
pratarora
opened
1 month ago
9
Don't keep an active network connection
#113
jorainer
closed
3 months ago
0
Avoid storing the DB connection within the object
#112
jorainer
opened
4 months ago
0
Fix homepage link
#111
Adafede
closed
7 months ago
0
Pass skipErrors to read.SDFset through compound_tbl_sdf?
#110
nlichti
closed
1 year ago
4
fix: MsBackendCompDb returns collisionEnergy as numeric
#109
jorainer
closed
2 years ago
0
Add script to create CompDb from MassBank
#108
jorainer
closed
2 years ago
0
Seeking suggestions for database development (HMDB version 5)
#107
AnupamGautam
closed
2 years ago
2
Availability of functions to create empty CompDB and insert and delete compounds
#106
Anne-CharlotteD
closed
2 years ago
2
docs: add example for insertCompound to vignette
#105
jorainer
closed
2 years ago
0
Add insertCompound and deleteCompound functions
#104
jorainer
closed
2 years ago
0
Add an insertCompound function
#103
jorainer
closed
2 years ago
1
Function to combine/concatenate CompDb databases
#102
jorainer
opened
2 years ago
0
feat: add mass2mz method for CompDb #99
#101
RogerGinBer
closed
2 years ago
3
Create an IonDb with all theoretical adducts for a CompoundDb
#100
jorainer
opened
2 years ago
0
mass2mz method for CompDb
#99
jorainer
opened
2 years ago
6
Issue with GitHub install of CompoundDb
#98
redbluewater
closed
2 years ago
3
feat: add parameter dbFile to createCompDb
#97
jorainer
closed
2 years ago
0
custom Db - spectra and ion Db questions
#96
cbroeckl
opened
2 years ago
2
Support import from MoNa MSP files
#95
jorainer
opened
2 years ago
1
refactor: address comments from @jianhong
#94
jorainer
closed
2 years ago
0
Transfer of CompoundDb
#93
jorainer
closed
2 years ago
0
deleteSpectra and deleteIon
#92
andreavicini
closed
2 years ago
0
Arbitrary columns in insertIon
#91
jorainer
closed
2 years ago
0
Prepare for Bioconductor submission
#90
jorainer
closed
2 years ago
3
Partial rewrite of insertSpectra
#89
jorainer
closed
2 years ago
1
insertSpectra
#88
andreavicini
closed
2 years ago
0
Add possibility to delete (inserted or existing) ions or MS/MS spectra
#87
jorainer
closed
2 years ago
0
refactor: add IonDb constructor methods and expand documentation
#86
jorainer
closed
2 years ago
0
IonDb
#85
andreavicini
closed
2 years ago
0
IonDb
#84
andreavicini
closed
2 years ago
1
IonDb
#83
andreavicini
closed
2 years ago
1
docs: bump version, add news and use R 4.1 in CI
#82
jorainer
closed
3 years ago
0
feat: Add spectra_type/ms_level and precursor_type parse
#81
jmbadia
closed
3 years ago
0
non integer msLevel values
#80
jmbadia
closed
3 years ago
3
insertIon method
#79
jorainer
closed
2 years ago
4
Update the MsBackendCompDb
#78
jorainer
closed
2 years ago
1
Implement a StandardsDb that extends CompoundDb
#77
jorainer
closed
2 years ago
11
docs: update README
#76
jorainer
closed
3 years ago
0
Cleanup and updates
#75
jorainer
closed
3 years ago
0
Rename table "compound" into "ms_compound"
#74
jorainer
closed
3 years ago
0
Replace mass2mz and mz2mass with the ones from MetaboCoreUtils
#73
jorainer
closed
3 years ago
0
Add fields adduct and msLevel to .extract_spectra_mona_sdf()
#72
jmbadia
closed
3 years ago
6
Submit to Bioconductor
#71
jorainer
closed
2 years ago
0
Jomain
#70
jorainer
closed
3 years ago
0
loading invalid sdf
#69
jmbadia
closed
3 years ago
2
feat: add additional filters
#68
jorainer
closed
3 years ago
0
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