Commits · 1d25b28a170fa30b3422a1dc8d2b6945e0d7c8c4 · Environmental Cheminformatics / RMassBank_by_MaliRemorker

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Jul 30, 2018
- Added SP to MB workflow · 1d25b28a
  Treutler authored 6 years ago
  
  1d25b28a
Jul 27, 2018
- Added the option to do a strict selection of MS/MS spectra from the raw data · 6cf6d070
  Treutler authored 6 years ago
  
  6cf6d070
- Minor changes · 72707c6c
  Treutler authored 6 years ago
  
  72707c6c
- added export of invalid records, decomposed the export of records and molfiles · 97087e63
  Treutler authored 6 years ago
  
  97087e63
- added fix to keep the properties of child-spectra valid and a minor fix to... · 93ba17c6
  Treutler authored 6 years ago
  
  added fix to keep the properties of child-spectra valid and a minor fix to aggregate spectra without error
  93ba17c6
- minor changes · 55215a0f
  Treutler authored 6 years ago
  
  55215a0f
Jul 09, 2018
- Merge branch 'master' of https://github.com/MassBank/RMassBank · 80308494
  Treutler authored 6 years ago
  
  80308494
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

Unverified

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 7 years ago
  
  Unverified
  
  070e63a6
- Merge pull request #191 from MassBank/feature-travis · db967086
  meowcat authored 7 years ago
  
  Feature travis
  Unverified
  
  db967086
- Merge pull request #190 from MassBank/fix-115 · bdc47ce4
  meowcat authored 7 years ago
  
  Fix 115
  Unverified
  
  bdc47ce4
Mar 19, 2018
- Cleanup after disabling code depending on ontoCAT · fa5dcbf1
  Steffen Neumann authored 7 years ago
  
  fa5dcbf1
- Added travis configuration · bf3134e2
  Steffen Neumann authored 7 years ago
  
  bf3134e2
- Added continuous integration · c457195e
  Steffen Neumann authored 7 years ago
  
  c457195e
- Remove code depending on ontoCAT. Closes #115 · a15c9365
  Steffen Neumann authored 7 years ago
  
  a15c9365
Mar 06, 2018
- fixed merge issue · 6009dca1
  meowcat authored 7 years ago
  
  6009dca1
- Merge remote-tracking branch 'Bioconductor/master' · d6a8a796
  meowcat authored 7 years ago
  
  # Conflicts: # DESCRIPTION # R/createMassBank.R # R/getSplash.R # R/leMsMs.r # R/leMsmsRaw.R
  d6a8a796
Jan 10, 2018
- Merge branch 'master' of https://github.com/MassBank/RMassBank · e1d52c94
  Treutler authored 7 years ago
  
  e1d52c94
- fixed line endings #2 · f9ef3ef9
  Treutler authored 7 years ago
  
  f9ef3ef9
- fixed line endings · 7f36ba82
  Treutler authored 7 years ago
  
  7f36ba82
- minor change · dab3e18f
  Treutler authored 7 years ago
  
  dab3e18f
- minor changes · 785c29a0
  Treutler authored 7 years ago
  
  785c29a0
Nov 30, 2017
- Added optional parameter RMassBank.env$verbose.output which prints information... · 52ed7116
  Treutler authored 7 years ago
  
  Added optional parameter RMassBank.env$verbose.output which prints information about absent/filtered peaks during the msmsWorkflow
  52ed7116
- Added the msp-functions to NAMESPACE · 219e19e7
  Treutler authored 7 years ago
  
  219e19e7
Nov 29, 2017
- fixed the pubchem-url for curl queries: http --> https · 08d02be8
  Treutler authored 7 years ago
  
  08d02be8
- Added option 'msp' to parameter 'readMethod' in function 'msmsRead' and... · 7eaad6e2
  Treutler authored 7 years ago
  
  Added option 'msp' to parameter 'readMethod' in function 'msmsRead' and implemented the corresponding functionality in file 'leMsmsRaw.R'.
  7eaad6e2
Oct 30, 2017
- bump x.y.z versions to odd y after creation of RELEASE_3_6 branch · d6bccdbc
  Hervé Pagès authored 7 years ago
  
  d6bccdbc
- bump x.y.z versions to even y prior to creation of RELEASE_3_6 branch · ab487cda
  Hervé Pagès authored 7 years ago
  
  ab487cda
Oct 09, 2017
- version bump · 9a6ad6d6
  Michele Stravs authored 7 years ago
  
  9a6ad6d6
- Fix an issue arising from new columns in mzR header() · 8a334988
  Michele Stravs authored 7 years ago
  
  8a334988
Jul 26, 2017
- Fix an argument misassignment that's probably been there for two years · 1fa6ed3c
  meowcat authored 7 years ago
  
  1fa6ed3c
Apr 24, 2017

bump x.y.z versions to odd y after creation of 3_5 branch · 072432e9

Herve Pages authored 7 years ago

git-svn-id: file:///home/git/hedgehog.fhcrc.org/bioconductor/trunk/madman/Rpacks/RMassBank@129129 bc3139a8-67e5-0310-9ffc-ced21a209358

072432e9

bump x.y.z versions to even y prior to creation of 3_5 branch · 64784ac3

Herve Pages authored 7 years ago

git-svn-id: file:///home/git/hedgehog.fhcrc.org/bioconductor/trunk/madman/Rpacks/RMassBank@129126 bc3139a8-67e5-0310-9ffc-ced21a209358

64784ac3

Dec 09, 2016
- (Finally) bumped version number · 1907ec24
  Michele Stravs authored 8 years ago
  
  1907ec24
- Pubchem switch to https · 3e7289ed
  Emma Schymanski authored 8 years ago
  
  git-svn-id: file:///home/git/hedgehog.fhcrc.org/bioconductor/trunk/madman/Rpacks/RMassBank@124938 bc3139a8-67e5-0310-9ffc-ced21a209358
  3e7289ed