- Add CITATION to the pre-print (https://doi.org/10.31219/osf.io/62v9p_v2)
- Add possibility to split protein groups in PSM data with
makeAdjacencyMatrix(see issue #30) - Removed
showDetails()fromsetMethod("show", "PSM")as discussed in issue #30 - Add
USIparameter toplotSpectraPTM. - Correct
filterPsmFdroutput message - Update Fragments vignette.
- Improve
labelFragments()runtime (see issue #25). - Add Selenocysteine and Pyrrolysine to
getAminoAcids().
- Refactor and improve
plotSpectraPTM().
- New Bioconductor devel.
- Correct
plotSpectraPTMannotations.
- Added
plotSpectraPTM: a plotting function to visualise post-translational modifications.
- Deprecated
addFragments. The use oflabelFragmentsis endorsed instead. See PR #20.
- Replace
calculateFragmentswithcalculateFragments2. See PR #19.
- New
calculateFragments2function includes fixed and variable modifications to fragments ions. See PR #16.
- New devel version
- Fix check errors.
- New Bioc devel.
- Fix connected component dim names in
show().
- In
addFragments()use...to pass parameters tocalculateFragments().
- New Bioc devel.
- New Bioc devel.
- New
fdrvariable (default is alwaysNA_character_for now) that defines the spectrum FDR (or any similar/relevant metric that can be used for filtering - see next item). - New
filterPsmFdr()function that filters based on thefdrvariable.
- Specific
Matrix::rowSums()to fix error in example.
- Fix type in vignette.
- First Bioconductor release.
- Fix mz calculation in
calculateFragmentsfor neutral losses with a charge > 1 (ported fromMSnbase- see issue 573).
- Set seed in the ConnectedComponents unit test to stop random errors after clustering.
- Fix bug in
describePeptides()(close #11).
- Describe the
ConnectedComponents()return value. - Add/update installation instructions.
- Fix typo and improve documentation.
- Prepare package for Bioconductor submission.