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Created with Raphaël 2.2.030Nov2930Oct97Sep26Jul24Apr9Dec229Nov18117Oct30Sep12May10311Apr28Mar220Feb1815121110985328Jan222120191815118619Dec181716149127Nov22Oct1413520Sep172129Aug24428Jul2423212019171614Jun4218May1716Apr31Mar24181Feb28Jan2721201919Dec18131285425Nov2413111023Oct222113715Sep822Jul720Jun1626May830Apr2927242322117627Mar262411107418Feb1711106527Jan14916Dec425Nov211328Oct242317144223Sep1916131211954229Aug282730Jul2419181512653227Jun1828May722Apr19171311109854326Mar212019151484127Feb26211823Jan141Oct7Sep328AugAdded optional parameter RMassBank.env$verbose.output which prints information about absent/filtered peaks during the msmsWorkflowAdded the msp-functions to NAMESPACEfixed the pubchem-url for curl queries: http --> httpsAdded option 'msp' to parameter 'readMethod' in function 'msmsRead' and implemented the corresponding functionality in file 'leMsmsRaw.R'.bump x.y.z versions to odd y after creation of RELEASE_3_6 branchbump x.y.z versions to even y prior to creation of RELEASE_3_6 branchversion bumpFix an issue arising from new columns in mzR header()Temporary fix for allowing workflow to run, loading old workspaces is currently not working. Fixes to filterPeaksMultiplicity. Currently returns incorrect resultsFix an argument misassignment that's probably been there for two yearsbump x.y.z versions to odd y after creation of 3_5 branchbump x.y.z versions to even y prior to creation of 3_5 branchUpdating how reanalysis and isotope results are added to the spectrum.Merge branch 'master' into s4power(Finally) bumped version numberDIA deconvoluter - first attemptPubchem switch to httpsMerge branch 'master' into s4powerfix in xcms workflow (the "standard" case 1 file for each cpdID was incorrect)fixed empty molfile issue (#165), was stray line in createMolfilefixed empty molfile issue (#165), was stray line in createMolfileadded filter for annotation and alternative accession number generationUpdate webAccess.R - PubChem has moved to httpsFixes in leMsMs.RAW: enforce polarity for switching-mode files; fixed precursor filling bug that failed for MS2 before first MS1 scanAdapted Erik's parseMassBank to parse into RmbSpectrum2 objects (retaining all information from the record)Adding option to treat unknown (level 5) masses as "charged" (default) or "neutral", as per #42.bump x.y.z versions to odd 'y' after creation of 3_4 branchbump x.y.z versions to even 'y' prior to creation of 3_4 branchMerge branch 'master' into s4powerMerge pull request #164 from sneumann/masterCopied code from splashR-0.0.3bump version after creating 3.3 branchBump versions prior to creation of 3.3 branchPush current fixed versionCactus changed their interface to https-onlyReworked isotopic annotationFixed SPLASH appearing in PKIsotopic annotation a bit betterRemoved global variable and modularized isotopic annotation furtherfix bug