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Created with Raphaël 2.2.020Jan191815118619Dec181716149127Nov22Oct1413520Sep172129Aug24428Jul2423212019171614Jun4218May1716Apr31Mar24181Feb28Jan2721201919Dec18131285425Nov2413111023Oct222113715Sep822Jul720Jun1626May830Apr2927242322117627Mar262411107418Feb1711106527Jan14916Dec425Nov211328Oct242317144223Sep1916131211954229Aug282730Jul2419181512653227Jun1828May722Apr19171311109854326Mar212019151484127Feb26211823Jan141Oct7Sep328AugChanged it so that molfiles don't get generated when tentative or unknown, also no mention in list.tsvAdded new tentative and unknown functionality to RMassbankFixed minor bug related to double slashes in records with the parserPK integratedSet rtShift to 0.0 and use CC-BY in the default settings, closes #147sneumann-patch-…sneumann-patch-1 upstream/sneumann-patch-1removed now superfluous stuff in readWriteMgfData, added support for writing RmbSpectrum2Lists (without the parent).Merge remote-tracking branch 'origin/master' into s4powerVarious S4 improvements: selectPeaks for spectra, RmbSpectrum2Ext class for spectra with additional properties and corresponding S4 handling, MGF writing for RmbSpectraSet, stuff to merge spectra. Generics definition moved to separate file for inclusion order. DESCRIPTION inclusion order changed.Changed docs because of that bugBugfixTentative and unknown retrieval added - subject to changeMerge branch 'master' of https://github.com/sneumann/RMassBankUse MS instead of a COMMENT for the SPLASHAdd a SPLASH to the COMMENTS section. Closes #136Forgot to add one folderIntegrated proper unit testing with R CMD checkCleaned up formatChanged default license to CC BY #128Merge https://github.com/MassBank/RMassBankCommit for merge reasonsTest renameRenamed fileUpdate RMassBank to refactored version 1.99Fixed issues that arose in current R-devel (3.3), which apparently introduced a behaviour change in aggregate() and makes rcdk generate.formula() produce warnings.refactoring ups…refactoring upstream/refactoringfixed bug (where did this come from??)fixed version numberFixed a superfluous warning message relating to issue #72Merge remote-tracking branch 'origin/master'Trying something outRoxygen docs ficed and getCSID exportedForgot to commit RAW reader functionbioc2014 upstre…bioc2014 upstream/bioc2014Fixed showmethodRemoved old merge conflict commentTypoFInish refactoring and adjusted other small things, 1 unit test addedBumped version number of all packages after creation of 3.2 branch.Bumped versions of all packages prior to creating 3.2 branch.Modularized Isotopic annotation, still needs tweaksRenewed documentationRemoved function that makes no sense with new workspace structure