Commits · 62baab6b21ae09f93382ecc48aafc06c4bf7dd8f · Environmental Cheminformatics / RMassBank_by_MaliRemorker

This project is mirrored from https://github.com/MaliRemorker/RMassBank. Pull mirroring failed 1 year ago.
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Last successful update 1 year ago.

Jul 18, 2013
- fixed errors from merge · 62baab6b
  michele authored 11 years ago
  
  62baab6b
- Merge remote-tracking branch 'origin/april2013hackfest' into april2013hackfest · fe9f335c
  michele authored 11 years ago
  
  Conflicts: R/createMassBank.R
  fe9f335c
- Merge remote-tracking branch 'origin/master' into april2013hackfest · 10df5658
  michele authored 11 years ago
  
  Conflicts: DESCRIPTION NAMESPACE R/createMassBank.R R/leMsMs.r R/leMsmsRaw.R R/parseMassBank.R R/validateMassBank.R R/webAccess.R inst/unitTests/runit.MS2.test.R man/parseMassBank.Rd man/smiles2mass.Rd man/validate.Rd
  10df5658
Jul 15, 2013
- Fixed a minor bug · 0a7497bf
  ermueller authored 11 years ago
  
  0a7497bf
Jul 06, 2013
- Best candidate is now picked · c01c736e
  ermueller authored 11 years ago
  
  c01c736e
Jul 05, 2013
- fixed merge conflicts · ece14999
  Steffen Neumann authored 11 years ago
  
  ece14999
- Add Version Number to DATA_PROCESSING (T. Schulze, UFZ) · bc82feeb
  Steffen Neumann authored 11 years ago
  
  bc82feeb
- Upgraded for compatibility with new CTS. · 02add3e8
  e.schymanski authored 11 years ago
  
  git-svn-id: https://hedgehog.fhcrc.org/bioconductor/trunk/madman/Rpacks/RMassBank@78125 bc3139a8-67e5-0310-9ffc-ced21a209358
  02add3e8
Jul 03, 2013
- Started work to get the best candidate pspec · c8f7aacc
  Steffen Neumann authored 11 years ago
  
  c8f7aacc
Jul 02, 2013
- RMassBank now fully functional · 3af1cc56
  ermueller authored 11 years ago
  
  3af1cc56
Jun 27, 2013
- Works now, even if some spectra aren't found · f8e6b12b
  ermueller authored 11 years ago
  
  f8e6b12b
Jun 18, 2013
- Fixed some minor problems · a1ba76c2
  ermueller authored 11 years ago
  
  a1ba76c2
May 28, 2013
- rudimentarily fixed the problem with CTS · f2425c91
  ermueller authored 11 years ago
  
  f2425c91
May 07, 2013
- Added plots, the program now skips peaks · 28239e95
  ermueller authored 11 years ago
  
  28239e95
Apr 22, 2013
- Title parser. · c4e8a899
  michele authored 11 years ago
  
  c4e8a899
Apr 19, 2013
- fix latex code in nonstandard vignette · 15afe380
  Steffen Neumann authored 11 years ago
  
  15afe380
- Merge branch 'april2013hackfest' of github.com:sneumann/RMassBank into april2013hackfest · c37de244
  Steffen Neumann authored 11 years ago
  
  c37de244
Apr 17, 2013
- some suggested additions to "validate" man page to orient users a little · 7c74a6a0
  uchem-massbank authored 11 years ago
  
  7c74a6a0
Apr 13, 2013
- Fixed the problem with the peaklist · aec72ee5
  ermueller authored 11 years ago
  
  aec72ee5
Apr 11, 2013
- foxed description · fa75ef5c
  michele authored 11 years ago
  
  fa75ef5c
- line breaks in R code · 4fa4e83c
  Steffen Neumann authored 11 years ago
  
  to avoid overly long lines in PDF
  4fa4e83c
- Merge pull request #10 from meowcat/april2013hackfest · d5618d3e
  Steffen Neumann authored 11 years ago
  
  Authors
  d5618d3e
- Authors · 4992f4f6
  michele authored 11 years ago
  
  4992f4f6
- fix white-space merge conflict · 91da0c98
  Steffen Neumann authored 11 years ago
  
  91da0c98
- Excised the recalibration plots in separate function. Made RMassBankNonstandard vignette nicer. · 27bddc04
  michele authored 11 years ago
  
  27bddc04
- fixed the new calibration function · 20de51ba
  Steffen Neumann authored 11 years ago
  
  20de51ba
- cleanup generated files · 317572dd
  Steffen Neumann authored 11 years ago
  
  317572dd
- Merge branch 'april2013hackfest' of https://github.com/ermueller/RMassBank into april2013hackfest · cb006bc2
  Steffen Neumann authored 11 years ago
  
  cb006bc2
- Fixed the Vignette · 196cb964
  ermueller authored 11 years ago
  
  196cb964
- Forgot to add some files · cf95a621
  ermueller authored 11 years ago
  
  cf95a621
Apr 10, 2013
- recalibrate.identity to skip recalibration · 84058234
  michele authored 11 years ago
  
  84058234
- cleanup XCMSinput, extend XCMS vignette · 91676ce4
  Steffen Neumann authored 11 years ago
  
  91676ce4
Apr 09, 2013
- Fix error message if suggested packages are unavailable · 485c6826
  Steffen Neumann authored 11 years ago
  
  485c6826
- Adapt vignette to new RMassBankData structure · cdf72625
  Steffen Neumann authored 11 years ago
  
  cdf72625
- Merge branch 'april2013hackfest' of https://github.com/ermueller/RMassBank into april2013hackfest · 920e9b72
  Steffen Neumann authored 11 years ago
  
  920e9b72
- Wrote the vignette · 4afdf3a6
  ermueller authored 11 years ago
  
  4afdf3a6
Apr 08, 2013
- Merge branch 'april2013hackfest' of https://github.com/ermueller/RMassBank into april2013hackfest · 7710fa30
  Steffen Neumann authored 11 years ago
  
  7710fa30
- The XCMS-workflow is working now · 6a0f0cf2
  ermueller authored 11 years ago
  
  6a0f0cf2
- load packages required for validation, recursively discover files for validation · 69244c57
  Steffen Neumann authored 11 years ago
  
  69244c57
- Merge branch 'april2013hackfest' of https://github.com/ermueller/RMassBank into april2013hackfest · 6b889736
  Steffen Neumann authored 11 years ago
  
  6b889736