Commits · b332e7164b6cc8510001dd3a9ad1a173ef83c0da · Environmental Cheminformatics / RMassBank_by_MaliRemorker

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Jan 09, 2014

Fixed DESCRIPTION, moved "script" part out of msmsRead.R, introduced detection... · b332e716

michele authored 11 years ago

Fixed DESCRIPTION, moved "script" part out of msmsRead.R, introduced detection of wrong spectraList in analyzeMsMs, added functions to update outdated settings files (while issuing warnings).

b332e716

Dec 16, 2013
- Bugfix: using addPeaks repeatedly works as designed now (doesn't overwrite old... · 253764e3
  michele authored 11 years ago
  
  Bugfix: using addPeaks repeatedly works as designed now (doesn't overwrite old additionalPeaks anymore)
  253764e3
- Merge remote-tracking branch 'sneumann/april2013hackfest' into april2013hackfest · e100c2db
  michele authored 11 years ago
  
  e100c2db
- leMsmsRaw: headercache enabled for findEIC · 37af6e32
  michele authored 11 years ago
  
  37af6e32
- Added Eriks msmsRead() · fe80c2ea
  Steffen Neumann authored 11 years ago
  
  fe80c2ea
Dec 04, 2013
- Merge branch 'april2013hackfest' of https://github.com/sneumann/RMassBank into april2013hackfest · 65a64aab
  ermueller authored 11 years ago
  
  65a64aab
- Refactored XCMS-workflow a bit and fixed foundOK, closes issue #25 · 19403d5b
  ermueller authored 11 years ago
  
  19403d5b
Nov 25, 2013
- Merge branch 'april2013hackfest' of https://github.com/meowcat/RMassBank into april2013hackfest · 319af665
  Steffen Neumann authored 11 years ago
  
  319af665
Nov 21, 2013
- Fixed cpd-ID problems and showmethod closes #27 · e884adb7
  ermueller authored 11 years ago
  
  e884adb7
Nov 13, 2013
- Completed the show-method for msmsWorkSpace · 7f4de51a
  ermueller authored 11 years ago
  
  7f4de51a
- Merge https://github.com/sneumann/RMassBank into april2013hackfest · 912bbc4a
  ermueller authored 11 years ago
  
  912bbc4a
Oct 28, 2013
- Merge branch 'april2013hackfest' of https://github.com/ermueller/RMassBank into april2013hackfest · 68bcc414
  Steffen Neumann authored 11 years ago
  
  68bcc414
- Added test for empty CTS data · 9aa778fa
  Steffen Neumann authored 11 years ago
  
  9aa778fa
- cleanup documentation example for addPeaksManually · 0c9ba9b6
  Steffen Neumann authored 11 years ago
  
  0c9ba9b6
Oct 24, 2013
- Started show() for msmsWorkspace · d8738bcd
  Steffen Neumann authored 11 years ago
  
  d8738bcd
Oct 23, 2013
- Merge https://github.com/sneumann/RMassBank into april2013hackfest · 1f985277
  ermueller authored 11 years ago
  
  1f985277
- Added theoretical functionality for MSe · af326f40
  ermueller authored 11 years ago
  
  af326f40
Oct 17, 2013
- Provide template without scientific notation, closes #17 · bd7bb906
  Steffen Neumann authored 11 years ago
  
  bd7bb906
- Skip step 8 in msmsWorkflow() if multiplicity parameter is missing in INI file · a2e1c5aa
  Steffen Neumann authored 11 years ago
  
  a2e1c5aa
- Merge branch 'april2013hackfest' of https://github.com/ermueller/RMassBank into april2013hackfest · 20a35722
  Steffen Neumann authored 11 years ago
  
  20a35722
- Merge branch 'april2013hackfest' of github.com:sneumann/RMassBank into april2013hackfest · 658b0ada
  Steffen Neumann authored 11 years ago
  
  658b0ada
- Made a typeconversion that fixes some problems · cbe4eb2f
  ermueller authored 11 years ago
  
  cbe4eb2f
Oct 02, 2013
- Merge branch 'april2013hackfest' of https://github.com/meowcat/RMassBank into april2013hackfest · 6f613afd
  michele authored 11 years ago
  
  6f613afd
- rmb nonstandard vignette · 5c5e3df9
  michele authored 11 years ago
  
  5c5e3df9
Sep 23, 2013
- Merge branch 'april2013hackfest' of https://github.com/ermueller/RMassBank into april2013hackfest · 378cf8ed
  Steffen Neumann authored 11 years ago
  
  378cf8ed
- Changed the way peaks are picked if no candidates are found · 5ac1880c
  ermueller authored 11 years ago
  
  5ac1880c
Sep 19, 2013
- finished updating settings and vignette, roxygenized changes · 47fb90ec
  uchem-massbank authored 11 years ago
  
  47fb90ec
Sep 16, 2013
- Merge branch 'april2013hackfest' of https://github.com/ermueller/RMassBank into april2013hackfest · df47108e
  Steffen Neumann authored 11 years ago
  
  df47108e
Sep 13, 2013
- updated vignette, builds in RStudio, error in R CMD check · 867a77ca
  uchem-massbank authored 11 years ago
  
  867a77ca
- fixed low vs high settings across board · 147aea79
  uchem-massbank authored 11 years ago
  
  147aea79
- Merge remote-tracking branch 'origin/april2013hackfest' into april2013hackfest · 13ef91a3
  uchem-massbank authored 11 years ago
  
  13ef91a3
- Reanalyzed peaks comment in record; overridable annotator · b2ceea83
  michele authored 11 years ago
  
  b2ceea83
- Updated citation · 169f269a
  uchem-massbank authored 11 years ago
  
  169f269a
Sep 12, 2013
- Suppressed warnings and messages in the xcms-workflow · 2476fb85
  ermueller authored 11 years ago
  
  2476fb85
- Merge pull request #2 from sneumann/april2013hackfest · 36d37e2a
  meowcat authored 11 years ago
  
  Fixes if XCMS did not find any peaks
  36d37e2a
Sep 11, 2013
- Merge branch 'april2013hackfest' of https://github.com/sneumann/RMassBank into april2013hackfest · 11c816bf
  ermueller authored 11 years ago
  
  11c816bf
- Fixed a small bug · 1f72e207
  ermueller authored 11 years ago
  
  1f72e207
Sep 09, 2013
- Merge branch 'april2013hackfest' of https://github.com/meowcat/RMassBank into april2013hackfest · 344095b6
  Steffen Neumann authored 11 years ago
  
  344095b6
- Dont add MS1 peaks to calibration data if MS1 calibration is disabled · 7de60882
  Steffen Neumann authored 11 years ago
  
  7de60882
- Use an empty peaklist if XCMS does not detect any peak to avoid an error... · 2de8ef3b
  Steffen Neumann authored 11 years ago
  
  Use an empty peaklist if XCMS does not detect any peak to avoid an error message downstream in the workflow
  2de8ef3b