Commits · devel · Environmental Cheminformatics / RMassBank_by_MaliRemorker

This project is mirrored from https://github.com/MaliRemorker/RMassBank. Pull mirroring failed 1 year ago.
Repository mirroring has been paused due to too many failed attempts. It can be resumed by a project maintainer or owner.
Last successful update 1 year ago.

Jun 05, 2020
- ... · b51f4b66
  Todor Kondic authored 4 years ago
  
  Unverified
  
  b51f4b66
May 27, 2020

Merge remote-tracking branch 'official/master' into par_reads · 53cf0054

Todor Kondic authored 4 years ago

* DESCRIPTION: All from the official master

* NAMESPACE: Both the changes from the official master and
  MaliRemorker fork.

* R/leCsvAccess.R(loadlist): Took MaliRemorker version.

Unverified

53cf0054

Mar 10, 2020
- S4power merge: vignettes are building · 611b7857
  Michele Stravs authored 5 years ago
  
  611b7857
Mar 09, 2020
- First fixes. Vignette not working · 2f4032d3
  Michele Stravs authored 5 years ago
  
  2f4032d3
- Merge branch 'master' into s4power-merge · beb9c78d
  Michele Stravs authored 5 years ago
  
  # Conflicts: # DESCRIPTION # NAMESPACE # R/SpectrumMethods.R # R/createMassBank.R # R/leMsMs.r # R/leMsmsRaw.R # R/msmsRead.R # R/zzz.R First attempt. Probably not working
  beb9c78d
Dec 22, 2019
- Fix an issue if saved InfoLists have missing columns · 40cf3053
  Steffen Neumann authored 5 years ago
  
  40cf3053
Dec 18, 2019
- Merge pull request #230 from MassBank/feature/merge_229_228 · 6f4f25bb
  Steffen Neumann authored 5 years ago
  
  Feature/merge 229 228
  Unverified
  
  6f4f25bb
- Update Version · fa995a71
  Steffen Neumann authored 5 years ago
  
  fa995a71
- Merge remote-tracking branch 'origin/branch_treutler' into feature/merge_229_228 · 9d3add2b
  Steffen Neumann authored 5 years ago
  
  9d3add2b
Dec 17, 2019
- Merge branch 'master' into branch_treutler · dfe079d7
  Steffen Neumann authored 5 years ago
  
  Unverified
  
  dfe079d7
- Fix merge conflicts with todays master · deaa6d34
  Steffen Neumann authored 5 years ago
  
  deaa6d34
- Converted DOS Line endings · 2ab2dcdb
  Steffen Neumann authored 5 years ago
  
  2ab2dcdb
- Merge branch 'master' into adelenelai-issue215 · 60664ceb
  Steffen Neumann authored 5 years ago
  
  Unverified
  
  60664ceb
Nov 18, 2019
- Bump version number · c8b00e9c
  meowcat authored 5 years ago
  
  c8b00e9c
- Merge branch 'master' of git.bioconductor.org:packages/RMassBank · 3147d9e0
  meowcat authored 5 years ago
  
  # Conflicts: # DESCRIPTION
  3147d9e0
- Merge pull request #223 from jorainer/master · d51d56af
  meowcat authored 5 years ago
  
  Fix mzR import after mzR::header reporting NA for missing data
  Unverified
  
  d51d56af
Nov 15, 2019

Fix mzR import after mzR::header reporting NA for missing data · 7d45afa5

jorainer authored 5 years ago

- Fix the mzR import functionality to match the changes in recent mzR::header
  reporting `NA` instead of `0` for not set/available spectra variables.

7d45afa5

Oct 30, 2019
- fixed CACTUS lookup for triple bonds · 9ebd7ca9
  meowcat authored 5 years ago
  
  9ebd7ca9
Oct 29, 2019
- bump x.y.z version to odd y after creation of RELEASE_3_10 branch · f220d442
  Nitesh Turaga authored 5 years ago
  
  f220d442
- bump x.y.z version to even y prior to creation of RELEASE_3_10 branch · 2cfce217
  Nitesh Turaga authored 5 years ago
  
  2cfce217
Oct 14, 2019
- reversed order in writing records · 854a08bd
  meowcat authored 5 years ago
  
  854a08bd
Sep 02, 2019
- Merge pull request #2 from MaliRemorker/devel · 085369d5
  MaliRemorker authored 5 years ago
  
  Devel
  Unverified
  
  085369d5
- Read in compound list from a data.frame (a convenience) · f2ff1c43
  Todor Kondic authored 5 years ago
  
  f2ff1c43
- Make read concurrent on compounds, not files · cc023acf
  Todor Kondic authored 5 years ago
  
  cc023acf
Aug 28, 2019
- Added Se to elements of dbe computation · b9aab6b8
  Treutler authored 5 years ago
  
  b9aab6b8
- Added more adducts · 785e571a
  Treutler authored 5 years ago
  
  785e571a
- Added five compound names to records · c7a83c1c
  Treutler authored 5 years ago
  
  c7a83c1c
Jul 31, 2019
- Fix to allow for user-defined peak selection · 0065e33a
  meowcat authored 5 years ago
  
  0065e33a
Jul 16, 2019

Merge branch 'master' into s4power · e6ff4e03

meowcat authored 5 years ago

# Conflicts:
#	DESCRIPTION
#	R/createMassBank.R
#	R/formulaCalculator.R
#	R/leMsMs.r
#	R/leMsmsRaw.R

e6ff4e03

Jul 12, 2019
- backported (foward-ported) the rcdk compatiibility fix into s4power · 275f8430
  meowcat authored 5 years ago
  
  275f8430
- Keep original m/z in recalibrated spectra, achieved through @properties, and... · 60f919c6
  meowcat authored 5 years ago
  
  Keep original m/z in recalibrated spectra, achieved through @properties, and correctly propagate it (as well as any other properties) through the annotation
  60f919c6
Jul 11, 2019
- Merge pull request #1 from MaliRemorker/devel · 7a74f64d
  MaliRemorker authored 5 years ago
  
  Devel
  Unverified
  
  7a74f64d
- Parallel mzR · eeab77f0
  Todor Kondic authored 5 years ago
  
  eeab77f0
Jul 08, 2019
- Differentiate quasisteady version · 9d51c2b9
  Todor Kondic authored 5 years ago
  
  9d51c2b9
- Add Todor and msmsRead.parallel · 33d2dfdb
  Todor Kondic authored 5 years ago
  
  33d2dfdb
- Add Todor to contributors · 1db018c0
  Todor Kondic authored 5 years ago
  
  1db018c0
- Version bump for S4power · c75375bf
  meowcat authored 5 years ago
  
  c75375bf
- Minimal parallelisation of mzR part of msmsRead.parallel · dd25dbe2
  Todor Kondic authored 5 years ago
  
  dd25dbe2
- Import parallel package · 124c3d7b
  Todor Kondic authored 5 years ago
  
  124c3d7b
- Add msmsRead.parallel · 0a254b3f
  Todor Kondic authored 5 years ago
  
  0a254b3f