Commits · 124c3d7bcabd3df055386de4d22433d605f2517f · Environmental Cheminformatics / RMassBank_by_MaliRemorker · GitLab

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Jul 08, 2019
- Import parallel package · 124c3d7b
  Todor Kondic authored 5 years ago
  
  124c3d7b
- Add msmsRead.parallel · 0a254b3f
  Todor Kondic authored 5 years ago
  
  0a254b3f
Apr 18, 2019
- Fixing formula generation for current CRAN rcdk 3.4.7.1 and rcdklibs 2.0.0 · 49518a43
  meowcat authored 5 years ago
  
  49518a43
Apr 03, 2019
- Bump version · 31f79498
  Steffen Neumann authored 5 years ago
  
  31f79498
- Merge branch 'master' of git.bioconductor.org:packages/RMassBank · f9ba04fd
  Steffen Neumann authored 5 years ago
  
  f9ba04fd
- Bump version · 28cc175e
  Steffen Neumann authored 5 years ago
  
  28cc175e
- Merge branch 'master' of github.com:MassBank/RMassBank · cd95da27
  Steffen Neumann authored 5 years ago
  
  cd95da27
- Merge pull request #213 from meier-rene/master · 5dcacb1e
  Steffen Neumann authored 5 years ago
  
  Do not write out empty PUBLICATION tags.
  Unverified
  
  5dcacb1e
- Merge pull request #214 from egonw/patch-1 · a43b534e
  Emma Schymanski authored 5 years ago
  
  Typo :)
  Unverified
  
  a43b534e
- Typo :) · 32e21fa2
  Egon Willighagen authored 5 years ago
  
  Unverified
  
  32e21fa2
Jan 04, 2019
- Add ImmunoOncology biocViews term · 27803648
  Kayla-Morrell authored 6 years ago
  
  27803648
Dec 05, 2018
- Do not write out empty PUBLICATION tags. · 89cba768
  René Meier authored 6 years ago
  
  89cba768
Nov 28, 2018
- Cleanup tryCatch() for generate.formula() not needed on recent rcdk, add versioned dependency · 93cb1608
  Steffen Neumann authored 6 years ago
  
  93cb1608
Nov 27, 2018
- revert enabling unit tests for now · cb6b7738
  Steffen Neumann authored 6 years ago
  
  cb6b7738
- enable unit tests, add another for for empty generated.formula(), closes #199,... · 3f01b3dc
  Steffen Neumann authored 6 years ago
  
  enable unit tests, add another for for empty generated.formula(), closes #199, add NEWS, bump version
  3f01b3dc
Oct 30, 2018
- bump x.y.z versions to odd y after creation of RELEASE_3_8 branch · cdbd99b0
  vobencha authored 6 years ago
  
  cdbd99b0
- bump x.y.z versions to even y prior to creation of RELEASE_3_8 branch · d9a8a2e3
  vobencha authored 6 years ago
  
  d9a8a2e3
Oct 24, 2018
- Fix for RCurl failure, as suggested by @tsufz · 0c82f3b7
  meowcat authored 6 years ago
  
  0c82f3b7
- Version bump · 371ea1b1
  Michele Stravs authored 6 years ago
  
  371ea1b1
Oct 23, 2018
- Merge remote-tracking branch 'origin/master' · 53ceaecc
  meowcat authored 6 years ago
  
  53ceaecc
- Bugfix for some PRM data with precursor scan 0 · 3df3e979
  meowcat authored 6 years ago
  
  3df3e979
Oct 19, 2018
- Fixed remaining fiehnlab URLs to https · 1ce4d162
  Steffen Neumann authored 6 years ago
  
  Unverified
  
  1ce4d162
Oct 18, 2018
- Merge pull request #210 from MassBank/sneumann-patch-2 · 5e4a3ffb
  Emma Schymanski authored 6 years ago
  
  Move base URL of CTS from http to https
  Unverified
  
  5e4a3ffb
- Merge pull request #205 from tsufz/master · f18748a2
  Emma Schymanski authored 6 years ago
  
  Change order of ION_MODE and IONIZATION to be compliant with specification
  Unverified
  
  f18748a2
- Move base URL of CTS from http to https · 2c67143a
  Steffen Neumann authored 6 years ago
  
  closes #209
  Unverified
  
  2c67143a
Sep 10, 2018
- Change order of ION_MODE and IONIZATION to be compliant with specification. Fixes issue #204. · 175d3bb0
  Tobias Schulze authored 6 years ago
  
  175d3bb0
- Add .gitignore · 8b80b6f9
  Tobias Schulze authored 6 years ago
  
  8b80b6f9
Jul 06, 2018
- Version bump · 9abd8be0
  meowcat authored 6 years ago
  
  9abd8be0
- Merge remote-tracking branch 'Bioconductor/master' · 92dacd74
  meowcat authored 6 years ago
  
  92dacd74
Jun 28, 2018

add pNH4 to step 7 · b027f652

Emma Schymanski authored 6 years ago

Attempt to fix error I just encountered in https://github.com/MassBank/RMassBank/issues/112

b027f652

Jun 27, 2018
- Update formulaCalculator.R to account for As, Hg · 6cada572
  Emma Schymanski authored 6 years ago
  
  Attempting a fix at the RDB error messages caused by presence of As, Hg in SMILES
  Unverified
  
  6cada572
Apr 30, 2018
- bump x.y.z versions to odd y after creation of RELEASE_3_7 branch · 781a575a
  vobencha authored 6 years ago
  
  781a575a
- bump x.y.z versions to even y prior to creation of RELEASE_3_7 branch · 094299bf
  vobencha authored 6 years ago
  
  094299bf
Mar 22, 2018
- Fix Travis badge URL · 070e63a6
  Steffen Neumann authored 6 years ago
  
  Unverified
  
  070e63a6
- Merge pull request #191 from MassBank/feature-travis · db967086
  meowcat authored 6 years ago
  
  Feature travis
  Unverified
  
  db967086
- Merge pull request #190 from MassBank/fix-115 · bdc47ce4
  meowcat authored 6 years ago
  
  Fix 115
  Unverified
  
  bdc47ce4
Mar 19, 2018
- Cleanup after disabling code depending on ontoCAT · fa5dcbf1
  Steffen Neumann authored 6 years ago
  
  fa5dcbf1
- Added travis configuration · bf3134e2
  Steffen Neumann authored 6 years ago
  
  bf3134e2
- Added continuous integration · c457195e
  Steffen Neumann authored 6 years ago
  
  c457195e
- Remove code depending on ontoCAT. Closes #115 · a15c9365
  Steffen Neumann authored 6 years ago
  
  a15c9365