Add second example why caching changes is better than saving to database.
Changes in 0.8.1
Include feedback and suggestions from Philippine Louail.
Changes in 0.8.0
Add new tutorial Spectra: an expandable infrastructure to handle mass spectrometry data.
Download MassBank data as an alternative from AnnotationHub.
SpectraTutorials 0.7
Changes in 0.7.3
Fix mislabeling columns as experimental spectra and rows as MassBank spectra in the spectra similarity matrix (thanks to CSAMA2023 attendee for pointing this out!).
Changes in 0.7.2
Use MsBackendSql instead of MsqlBackend.
Changes in 0.7.1
Simplify/clarify description of spectra data processing.
Changes in 0.7.0
Add section on the use of the MsqlBackend and compare performance to MsBackendMzR and MsBackendDataFrame.
SpectraTutorials 0.6
Changes in 0.6.3
Better describe usage of the alternative SQLite MassBank database file in the two workshops.
Changes in 0.6.2
Add citation.
Changes in 0.6.1
Adapt to changes in Spectra >= 1.5.8: export spectraVariableMapping method.
Adapt to changes in CompoundDb >= 0.9.6: "target_name" is available as spectra variable in Spectra objects returned from a CompDb database.
Adapt to changes in MetaboAnnotation >= 0.99.4: also the ppm error is reported by matchMz.
Changes in 0.6.0
Remove the Spectra object with data from HMDB.
Use a CompDb database for HMDB annotations.
SpectraTutorials 0.5
Changes in 0.5.0
Add additional vignette describing spectra matching with the MetaboAnnotation package and integration into an xcms analysis workflow.
SpectraTutorials 0.4
Changes in 0.4.0
Version used at the BioC2021 conference.
Use MassBank release 2021.03.
Restructure the document and simplify the analysis (reduce to mzML files with 20eV collision energy).
SpectraTutorials 0.3
Changes in 0.3.2
Use MassBank release 2021.02 and add expand descriptive text.