- Add
extractByIndex()
method.
- Import method generics from
ProtGenerics
. This requiresProtGenerics
version 1.35.3.
- Remove additional empty line at the end of exported MassBank records (issue #49).
- Add
backendBpparam
forMsBackendMassbankSql
; parallel processing ofSpectra
withMsBackendMassbankSql
will silently disable parallel processing.
- Add support for EAD parameter.
- Avoid export of retention time data if not available.
- Run the full test suite from the
Spectra
package to validate theMsBackend
implementations.
- Add parameter
columns
topeaksData
.
- Import and use
spectraVariableMapping
method fromSpectra
.
- Map comment to spectra variable.
- Use in addition unit tests from the
Spectra
package. - Add
filterPrecursorMzValues
andfilterPrecursorMzRange
.
MsBackendMassbankSql
extendsSpectra::MsBackendCached
to re-use the general caching mechanism provided by that backend.
- Fix wrong database column name for collision energy.
- Change SQL queries to increase performance.
- Fix bug in
show,MsBackendMassbankSql
.
- Cache precursor m/z to allow faster queries for spectral matching.
- Fix an issue in which
selectSpectraVariables,MsBackendMassbankSql
would fail if subsetted to a single variable/column in@localData
issue #29
- Drop names on the
peaksData
.
- Minor updates and changes as requested during package review process.
- Directly call package internal functions using
:::
if used withinbplapply
to avoid errors on Windows.
- Prepare for Bioconductor submission.