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Commits on Jun 5, 2020
  1. Updated docs

    schymane committed Jun 5, 2020
    This time cherry picked only those that seem to have changed dramatically, plus the ones that I added.
  2. Revert "Updated docs"

    schymane committed Jun 5, 2020
    This reverts commit 445b432.
Commits on Apr 20, 2020
  1. Updated docs

    schymane committed Apr 20, 2020
    Updating docs with devtools::document() works ... with 97 file changes. Package builds - not sure if @meowcat wants to cherry pick doc changes, since some files are deleted?
Commits on Apr 18, 2020
  1. updated contact details

    schymane committed Apr 18, 2020
    Updated to uni.lu email address
  2. Update webAccess.R

    schymane committed Apr 18, 2020
    added getPCIDs.CIDtype (from RChemMass), adjusted getPcId to return the preferred CID
Commits on Mar 10, 2020
  1. S4power merge: vignettes are building

    Michele Stravs
    Michele Stravs committed Mar 10, 2020
Commits on Mar 9, 2020
  1. First fixes. Vignette not working

    Michele Stravs
    Michele Stravs committed Mar 9, 2020
  2. Merge branch 'master' into s4power-merge

    Michele Stravs
    Michele Stravs committed Mar 9, 2020
    # Conflicts:
    #	DESCRIPTION
    #	NAMESPACE
    #	R/SpectrumMethods.R
    #	R/createMassBank.R
    #	R/leMsMs.r
    #	R/leMsmsRaw.R
    #	R/msmsRead.R
    #	R/zzz.R
    
    First attempt. Probably not working
Commits on Dec 22, 2019
  1. Fix an issue if saved InfoLists have missing columns

    sneumann committed Dec 22, 2019
Commits on Dec 18, 2019
  1. Merge pull request #230 from MassBank/feature/merge_229_228

    sneumann committed Dec 18, 2019
    Feature/merge 229 228
  2. Update Version

    sneumann committed Dec 18, 2019
Commits on Dec 17, 2019
  1. Merge branch 'master' into branch_treutler

    sneumann committed Dec 17, 2019
  2. Fix merge conflicts with todays master

    sneumann committed Dec 17, 2019
  3. Converted DOS Line endings

    sneumann committed Dec 17, 2019
  4. Merge branch 'master' into adelenelai-issue215

    sneumann committed Dec 17, 2019
Commits on Nov 18, 2019
  1. Bump version number

    meowcat
    meowcat committed Nov 18, 2019
  2. Merge branch 'master' of git.bioconductor.org:packages/RMassBank

    meowcat
    meowcat committed Nov 18, 2019
    # Conflicts:
    #	DESCRIPTION
  3. Merge pull request #223 from jorainer/master

    meowcat committed Nov 18, 2019
    Fix mzR import after mzR::header reporting NA for missing data
Commits on Nov 15, 2019
  1. Fix mzR import after mzR::header reporting NA for missing data

    jorainer committed Nov 15, 2019
    - Fix the mzR import functionality to match the changes in recent mzR::header
      reporting `NA` instead of `0` for not set/available spectra variables.
Commits on Oct 30, 2019
  1. fixed CACTUS lookup for triple bonds

    meowcat
    meowcat committed Oct 30, 2019
Commits on Oct 29, 2019
Commits on Oct 14, 2019
  1. reversed order in writing records

    meowcat
    meowcat committed Oct 14, 2019
Commits on Aug 28, 2019
  1. Added Se to elements of dbe computation

    Treutler committed Aug 28, 2019
  2. Added more adducts

    Treutler committed Aug 28, 2019
Commits on Jul 31, 2019
  1. Fix to allow for user-defined peak selection

    meowcat
    meowcat committed Jul 31, 2019
Commits on Jul 16, 2019
  1. Merge branch 'master' into s4power

    meowcat
    meowcat committed Jul 16, 2019
    # Conflicts:
    #	DESCRIPTION
    #	R/createMassBank.R
    #	R/formulaCalculator.R
    #	R/leMsMs.r
    #	R/leMsmsRaw.R
Commits on Jul 12, 2019
  1. Keep original m/z in recalibrated spectra, achieved through @properties

    meowcat
    meowcat committed Jul 12, 2019
    …, and correctly propagate it (as well as any other properties) through the annotation
Commits on Jul 8, 2019
  1. Version bump for S4power

    meowcat
    meowcat committed Jul 8, 2019
Commits on Jul 5, 2019
  1. Fixed multiplicity filtering to work identical to 2.3.1 version: remo…

    meowcat
    meowcat committed Jul 5, 2019
    …ving peaks which fall out due to "refiltering", where formulas may get multiplicity 1. See #219
Commits on Jul 1, 2019
Commits on Jun 28, 2019
  1. Don't "clean noise" when no spectra are there

    meowcat
    meowcat committed Jun 28, 2019
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