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Add CITATION file and link to the Zenodo deposit.
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NEWS.md

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# Version 1.0
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# SpectraTutorials 1.0
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## Changes in 1.0.1
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- Add Zenodo doi to citation file and README.
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## Changes in 1.0.0
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- Version published on https://doi.org/10.5281/zenodo.11210190
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- Use R 4.4 and Bioconductor 3.19.
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# Version 0.9
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# SpectraTutorials 0.9
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## Version 0.9.0
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## Changes in 0.9.0
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- Use R 4.3 and Bioconductor 3.18.
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# Version 0.8
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# SpectraTutorials 0.8
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## Version 0.8.2
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## Changes in 0.8.2
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- Add second example why caching changes is better than saving to database.
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## Version 0.8.1
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## Changes in 0.8.1
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- Include feedback and suggestions from Philippine Louail.
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## Version 0.8.0
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## Changes in 0.8.0
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- Add new tutorial *`Spectra`: an expandable infrastructure to handle mass
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spectrometry data*.
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- Download MassBank data as an alternative from *AnnotationHub*.
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# Version 0.7
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# SpectraTutorials 0.7
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## Version 0.7.3
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## Changes in 0.7.3
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- Fix mislabeling columns as experimental spectra and rows as MassBank spectra
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in the spectra similarity matrix (thanks to CSAMA2023 attendee for pointing
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this out!).
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## Version 0.7.2
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## Changes in 0.7.2
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- Use `MsBackendSql` instead of `MsqlBackend`.
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## Version 0.7.1
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## Changes in 0.7.1
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- Simplify/clarify description of spectra data processing.
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## Version 0.7.0
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## Changes in 0.7.0
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- Add section on the use of the `MsqlBackend` and compare performance to
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`MsBackendMzR` and `MsBackendDataFrame`.
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# Version 0.6
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# SpectraTutorials 0.6
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## Version 0.6.3
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## Changes in 0.6.3
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- Better describe usage of the alternative SQLite MassBank database file in the
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two workshops.
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## Version 0.6.2
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## Changes in 0.6.2
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- Add citation.
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## Version 0.6.1
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## Changes in 0.6.1
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- Adapt to changes in `Spectra` >= 1.5.8: export `spectraVariableMapping`
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method.
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- Adapt to changes in `MetaboAnnotation` >= 0.99.4: also the ppm error is
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reported by `matchMz`.
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## Version 0.6.0
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## Changes in 0.6.0
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- Remove the `Spectra` object with data from HMDB.
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- Use a `CompDb` database for HMDB annotations.
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# Version 0.5
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# SpectraTutorials 0.5
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## Version 0.5.0
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## Changes in 0.5.0
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- Add additional vignette describing spectra matching with the
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`MetaboAnnotation` package and integration into an `xcms` analysis workflow.
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# Version 0.4
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# SpectraTutorials 0.4
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## Version 0.4.0
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## Changes in 0.4.0
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- Version used at the BioC2021 conference.
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- Use MassBank release 2021.03.
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- Restructure the document and simplify the analysis (reduce to mzML files with
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20eV collision energy).
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# Version 0.3
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# SpectraTutorials 0.3
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## Version 0.3.2
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## Changes in 0.3.2
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- Use MassBank release 2021.02 and add expand descriptive text.

README.md

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See [NEWS.md](NEWS.md) for information on the current version and a change log.
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## Citation
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This tutorials (and future versions) are deposited at
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[Zenodo](https://zenodo.org). To cite this version of the tutorial:
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Johannes Rainer and Philippine Louail. SpectraTutorials version 1.0.0: Mass
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Spectrometry Data Analysis with Spectra. Zenodo, May
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17, 2024. https://doi.org/10.5281/zenodo.11210190
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## Installation
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For on-line code evaluation the workshops can also be run using a self-contained

inst/CITATION

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citHeader("To cite this workflow:")
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citEntry(entry = "Manual",
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title = "SpectraTutorials: Mass Spectrometry Data Analysis with Spectra",
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author = personList(
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person(given = "Johannes", family = "Rainer"),
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person(given = "Philippine", family = "Louail")
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),
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publisher = "Zenodo",
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year = "2024",
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month = "may",
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version = "v1.0.0",
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doi = "10.5281/zenodo.11210190",
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url = "https://doi.org/10.5281/zenodo.11210190",
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textVersion = paste0("Johannes Rainer, & Philippine Louail. (2024). ",
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"SpectraTutorials version 1.0.0: Mass ",
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"Spectrometry Data Analysis with Spectra. ",
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"Zenodo. https://doi.org/10.5281/zenodo.11210190")
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)

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