Commits · 1cd9179ccdfb6662b94473239083c29c25434d3b · 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 14, 2015
- Added fallback for nonbabelusers in case Cactus is down · 1cd9179c
  ermueller authored 9 years ago
  
  1cd9179c
May 18, 2015
- Unit test for record creation and everything about the workflow · a838cc36
  ermueller authored 9 years ago
  
  a838cc36
- Added doc for pNH4 for msmsWorkflow · 5706ef09
  ermueller authored 9 years ago
  
  5706ef09
- Changed filename handling in case of multiple compounds per filename · 6a546af7
  ermueller authored 9 years ago
  
  6a546af7
- Had to change doc for findMsMsHR.mass, so cpdID could get printed · c41095e2
  ermueller authored 9 years ago
  
  c41095e2
May 17, 2015
- Tidied up gatherData and solved addPeaks problem · 1e3d96f0
  ermueller authored 9 years ago
  
  1e3d96f0
- Fixed CID: in front of some pubchem CIDs · cc56d381
  ermueller authored 9 years ago
  
  cc56d381
- Changed warning for fillprecursorscan · a804a7b0
  ermueller authored 9 years ago
  
  a804a7b0
Mar 31, 2015
- Small adjustments, parameter for mbworkflow is better now · c1979023
  ermueller authored 10 years ago
  
  c1979023
Mar 24, 2015
- Fixed various smaller problems · 353f019a
  ermueller authored 10 years ago
  
  353f019a
Mar 18, 2015
- gatherData and several other issues · 6aac3446
  ermueller authored 10 years ago
  
  6aac3446
Feb 01, 2015
- Added functionality so that CTS isn't neccessarily needed anymore · 7c205c10
  ermueller authored 10 years ago
  
  7c205c10
Jan 21, 2015
- remove dontrun from CTS examples to catch CTS errors. · db35707c
  Steffen Neumann authored 10 years ago
  
  db35707c
- remove stray character · c8a9a625
  Steffen Neumann authored 10 years ago
  
  c8a9a625
- fix forgotten test URL (checking the timeout) in getPcId() · 7b010852
  Steffen Neumann authored 10 years ago
  
  7b010852
- Merge branch 'bioc2014' of https://github.com/ermueller/RMassBank · 61d93c60
  Steffen Neumann authored 10 years ago
  
  61d93c60
Jan 20, 2015
- Changed CTS stuff documentation in Roxygen notation · 6d6aa8bb
  ermueller authored 10 years ago
  
  6d6aa8bb
- Added CAS to the error message that explains which columns are needed in loadList · 8b9605e5
  ermueller authored 10 years ago
  
  8b9605e5
- Changed the .Rd file to accomodate for the changes in the validate function · 2e33d88a
  ermueller authored 10 years ago
  
  2e33d88a
- Disabled CTS-accessing-function examples until further note · 225c994e
  ermueller authored 10 years ago
  
  225c994e
- Added timeout message for getPcId · fa8129eb
  ermueller authored 10 years ago
  
  fa8129eb
Jan 19, 2015
- Refined error message from last commit · 19e356bb
  ermueller authored 10 years ago
  
  19e356bb
- Changed a message() to an error(), because the circumstances that generate... · 38cab829
  ermueller authored 10 years ago
  
  Changed a message() to an error(), because the circumstances that generate this message would lead to an error anyways
  38cab829
- Fixed up the validation output for records without mistakes, other half coming up later · 6d158937
  ermueller authored 10 years ago
  
  6d158937
- Added a possible fix for the gatherdata problem in a comment · 1c3ba7b0
  ermueller authored 10 years ago
  
  1c3ba7b0
- Tentatively added a timeout error for CTS · dde318f5
  ermueller authored 10 years ago
  
  dde318f5
- Fixed small bug in validation · b2a3b217
  ermueller authored 10 years ago
  
  b2a3b217
Dec 19, 2014
- Merge pull request #53 from ermueller/bioc2014 · 30e17262
  Steffen Neumann authored 10 years ago
  
  Bioc2014
  30e17262
Dec 18, 2014
- FIxed typo · e6eabab5
  ermueller authored 10 years ago
  
  e6eabab5
- Added unit test · aa2d6008
  ermueller authored 10 years ago
  
  aa2d6008
- Warning message in gatherData avoided · 4756ea45
  ermueller authored 10 years ago
  
  4756ea45
- No wanings in check anymore and added msmsRead.RAW to the export · 73186481
  ermueller authored 10 years ago
  
  73186481
- Changed method name from simple to minimal · b9f05421
  ermueller authored 10 years ago
  
  b9f05421
- loadRmbSettings now checks if the babeldir exists · ee161fb8
  ermueller authored 10 years ago
  
  ee161fb8
- Fix some roxygen annotations · 87e5a919
  Steffen Neumann authored 10 years ago
  
  87e5a919
- moved validation Tests from unitTests to validationTests · 1a2c2b6b
  Steffen Neumann authored 10 years ago
  
  1a2c2b6b
- merge from Erik · f069b2a6
  Steffen Neumann authored 10 years ago
  
  f069b2a6
- Merge with meowcat · d702a5dc
  ermueller authored 10 years ago
  
  d702a5dc
Dec 13, 2014
- fixed merge conflict · f3555c92
  Steffen Neumann authored 10 years ago
  
  f3555c92
Dec 12, 2014

Update RMassBank.Rnw · 6d66088d

schymane authored 10 years ago

Removed rogue text from vignette, it's still in the 1.9.2.1 vignette

6d66088d