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Changelog

Source: NEWS.md

MsBackendMassbank 1.19

Changes in 1.19.2

  • Refactor metaDataBlocks() adding parameters for the individual metadata blocks simplifying configuration of data import.
  • Fix importing issues of individual optional blocks. Import was validated using MassBank releases 2025.05.1 and 2025.10. Several fields/spectra variables now return a list to support records with multiple values per field. These are: "name", "chrom_solvent", "comment", "data_processing_comment", "sample", "data_processing_reanalyze", "data_processing_whole".
  • Map field MS$DATA_PROCESSING: FIND_PEAK to a spectra variable with name "data_processing_find_peak" (was "data_processing_find").

Changes in 1.19.1

  • Avoid error when "N/A" is reported as retention time.
  • Performance improvement: use data.table::rbindlist() for merging and importing records from files in MassBank format.

MsBackendMassbank 1.17

Changes in 1.17.1

  • Allow columns/fields “comment” and “data_processing_comment” to have multiple values.

MsBackendMassbank 1.15

Changes in 1.15.3

  • Fix import from MassBank txt files:
    • force ordered m/z values
    • skip import of deprecated records
    • introduce sanity checks on spectra variables.

Changes in 1.15.2

Changes in 1.15.1

  • Complete unit test coverage.

MsBackendMassbank 1.13

Changes in 1.13.1

MsBackendMassbank 1.11

Changes in 1.11.2

  • Import method generics from ProtGenerics. This requires ProtGenerics version 1.35.3.

Changes in 1.11.1

  • Remove additional empty line at the end of exported MassBank records (issue #49).

MsBackendMassbank 1.7

Changes in 1.7.4

  • Add backendBpparam for MsBackendMassbankSql; parallel processing of Spectra with MsBackendMassbankSql will silently disable parallel processing.

Changes in 1.7.3

  • Add support for EAD parameter.

Changes in 1.7.2

  • Avoid export of retention time data if not available.

Changes in 1.7.1

  • Run the full test suite from the Spectra package to validate the MsBackend implementations.

MsBackendMassbank 1.3

Changes in 1.3.5

  • Add parameter columns to peaksData.

Changes in 1.3.4

  • Import and use spectraVariableMapping method from Spectra.

Changes in 1.3.3

  • Map comment to spectra variable.

Changes in 1.3.2

  • Use in addition unit tests from the Spectra package.
  • Add filterPrecursorMzValues and filterPrecursorMzRange.

Changes in 1.3.1

  • MsBackendMassbankSql extends Spectra::MsBackendCached to re-use the general caching mechanism provided by that backend.

MsBackendMassbank 1.1

Changes in 1.1.4

  • Fix wrong database column name for collision energy.

Changes in 1.1.3

  • Change SQL queries to increase performance.

Changes in 1.1.2

  • Fix bug in show,MsBackendMassbankSql.

Changes in 1.1.1

  • Cache precursor m/z to allow faster queries for spectral matching.

MsBackendMassbank 0.99

Changes in 0.99.4

  • Fix an issue in which selectSpectraVariables,MsBackendMassbankSql would fail if subsetted to a single variable/column in @localData issue #29

Changes in 0.99.3

  • Drop names on the peaksData.

Changes in 0.99.2

  • Minor updates and changes as requested during package review process.

Changes in 0.99.1

  • Directly call package internal functions using ::: if used within bplapply to avoid errors on Windows.

Changes in 0.99.0

  • Prepare for Bioconductor submission.