Commits · 7d1cee3ec4adb495c5627a7c5d8cc1215a0bdc57 · Environmental Cheminformatics / RMassBank_by_MaliRemorker

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Jan 06, 2016
- Tentative and unknown retrieval added - subject to change · 7d1cee3e
  ermueller authored 9 years ago
  
  7d1cee3e
Dec 19, 2015
- Merge branch 'master' of https://github.com/sneumann/RMassBank · 8bb85982
  ermueller authored 9 years ago
  
  8bb85982
Dec 18, 2015
- Use MS instead of a COMMENT for the SPLASH · ae608736
  Steffen Neumann authored 9 years ago
  
  ae608736
Dec 17, 2015
- Add a SPLASH to the COMMENTS section. Closes #136 · ae1b3504
  Steffen Neumann authored 9 years ago
  
  ae1b3504
- Forgot to add one folder · 3719a719
  ermueller authored 9 years ago
  
  3719a719
- Integrated proper unit testing with R CMD check · 0297b1d5
  ermueller authored 9 years ago
  
  0297b1d5
- Cleaned up format · bedf1624
  ermueller authored 9 years ago
  
  bedf1624
- Changed default license to CC BY #128 · a67f6f6c
  ermueller authored 9 years ago
  
  a67f6f6c
Dec 16, 2015
- Merge https://github.com/MassBank/RMassBank · fd877207
  ermueller authored 9 years ago
  
  fd877207
- Commit for merge reasons · 28228ee3
  ermueller authored 9 years ago
  
  28228ee3
- Test rename · f97a8811
  ermueller authored 9 years ago
  
  f97a8811
- Renamed file · 3573dd23
  ermueller authored 9 years ago
  
  3573dd23
Dec 14, 2015

Fixed issues that arose in current R-devel (3.3), which apparently introduced... · 4ac4e8cb

Michele Stravs authored 9 years ago

Fixed issues that arose in current R-devel (3.3), which apparently introduced a behaviour change in aggregate() and makes rcdk generate.formula() produce warnings.

4ac4e8cb

Dec 09, 2015
- fixed bug (where did this come from??) · d4fc9911
  Michele Stravs authored 9 years ago
  
  d4fc9911
Dec 01, 2015
- fixed version number · 63cbc944
  Michele Stravs authored 9 years ago
  
  63cbc944
Nov 27, 2015
- Fixed a superfluous warning message relating to issue #72 · b0f2cb22
  ermueller authored 9 years ago
  
  b0f2cb22
- Merge remote-tracking branch 'origin/master' · aa846ad8
  ermueller authored 9 years ago
  
  aa846ad8
- Trying something out · 6d37f883
  ermueller authored 9 years ago
  
  6d37f883
- Roxygen docs ficed and getCSID exported · 1d48adba
  ermueller authored 9 years ago
  
  1d48adba
Oct 22, 2015
- Forgot to commit RAW reader function · e6df5a81
  ermueller authored 9 years ago
  
  e6df5a81
Oct 14, 2015
- Fixed showmethod · fefec965
  ermueller authored 9 years ago
  
  fefec965
- Removed old merge conflict comment · f12adacc
  ermueller authored 9 years ago
  
  f12adacc
- Typo · 5b835e39
  ermueller authored 9 years ago
  
  5b835e39
- FInish refactoring and adjusted other small things, 1 unit test added · 261786a3
  ermueller authored 9 years ago
  
  261786a3
Oct 05, 2015
- Modularized Isotopic annotation, still needs tweaks · 8f7a0ef4
  ermueller authored 9 years ago
  
  8f7a0ef4
Sep 20, 2015
- Renewed documentation · 8b81acba
  ermueller authored 9 years ago
  
  8b81acba
- Removed function that makes no sense with new workspace structure · e3503fb4
  ermueller authored 9 years ago
  
  e3503fb4
Sep 17, 2015

Several changes, refactoring almost complete, showmethod adjusted, much less... · 78fc7b52

ermueller authored 9 years ago

Several changes, refactoring almost complete, showmethod adjusted, much less notesand warnings in R CMD check, isotopic annotation error fixed

78fc7b52

Sep 02, 2015
- Reqorked isotopic formula annotation, formulas now follow Hill system · 48139642
  ermueller authored 9 years ago
  
  48139642
- Names were in all caps · feb724fa
  ermueller authored 9 years ago
  
  feb724fa
- CID: now in front of pubchem entries · 6dcb8dec
  ermueller authored 9 years ago
  
  6dcb8dec
Sep 01, 2015
- checkIsotopes finished · ccf689c8
  ermueller authored 9 years ago
  
  ccf689c8
Aug 29, 2015
- Fixed Recalibration bug for special cases · aa602447
  ermueller authored 9 years ago
  
  aa602447
- Fixed bug for special case in msmsWorkspace-showmethod · a396c06b
  ermueller authored 9 years ago
  
  a396c06b
Aug 24, 2015
- Forgot to remove incomplete file from description · 598ada83
  ermueller authored 9 years ago
  
  598ada83
- Basic functionality after refactoring restored · 814f6934
  ermueller authored 9 years ago
  
  814f6934
Aug 04, 2015
- Version bump · 6bee4df4
  ermueller authored 9 years ago
  
  6bee4df4
- Solved merge conflict · 0f714417
  ermueller authored 9 years ago
  
  0f714417
Jul 28, 2015
- Updated roxygen manpages · 7d8dbcb5
  Michele Stravs authored 9 years ago
  
  7d8dbcb5
- Updated inline documentation for new arguments and new classes/methods. Fixed... · 64d3da74
  Michele Stravs authored 9 years ago
  
  Updated inline documentation for new arguments and new classes/methods. Fixed minor bugs. Passes R CMD check w/ standard vignette.
  64d3da74