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Environmental Cheminformatics
RMassBank_by_MaliRemorker
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2b8452be91f3198ddc0447994d96fd965e7bb466
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Branches
14
UFZ
default
protected
april2013hackfest
bioc
bioc2014
branch_treutler
devel
feature/defaultCC0
master
par_reads
refactoring
s4power
sneumann-patch-1
sneumann-patch-2
treutler-merge
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description fixed
Merge remote-tracking branch 'github/branch_treutler' into treutler-merge
Added the possibility to add comments with any sub tag
branch_treutler…
branch_treutler upstream/branch_treutler
Added adducts
Bump version
Merge branch 'master' of git.bioconductor.org:packages/RMassBank
Bump version
Merge branch 'master' of github.com:MassBank/RMassBank
Change default to CC0
feature/default…
feature/defaultCC0 upstream/feature/defaultCC0
Merge pull request #213 from meier-rene/master
Merge pull request #214 from egonw/patch-1
Typo :)
Add ImmunoOncology biocViews term
Do not write out empty PUBLICATION tags.
Cleanup tryCatch() for generate.formula() not needed on recent rcdk, add versioned dependency
revert enabling unit tests for now
enable unit tests, add another for for empty generated.formula(), closes #199, add NEWS, bump version
Fixed bug and implemented restarts of web queries for more error tolerance
Added adducts
http://cts.fiehnlab.ucdavis.edu/service/compound/ -> https://cts.fiehnlab.ucdavis.edu/service/compound/
bump x.y.z versions to odd y after creation of RELEASE_3_8 branch
bump x.y.z versions to even y prior to creation of RELEASE_3_8 branch
Fix for RCurl failure, as suggested by @tsufz
Version bump
Merge remote-tracking branch 'origin/master'
Bugfix for some PRM data with precursor scan 0
Fixed remaining fiehnlab URLs to https
Merge pull request #210 from MassBank/sneumann-patch-2
Merge pull request #205 from tsufz/master
Move base URL of CTS from http to https
sneumann-patch-…
sneumann-patch-2 upstream/sneumann-patch-2
Changed order of AC: IONIZATION and AC: ION_MODE as the record specification demands it
Corrected the position of SP in records
Added further adducts
Added Li to DBE calculation
Refined the calculation of monoisotopic masses additions using enviPat
Fixed the parsing of msp files with decimal delimiter comma instead of point
Fixed bug in the record compilation in case of empty spectra
Added additional adducts
Change order of ION_MODE and IONIZATION to be compliant with specification. Fixes issue #204.
Add .gitignore
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