Updates and expansion of the backend

rformassspectrometry / MsBackendMsp

Mass Spectrometry Data Backend for MSP Files

https://rformassspectrometry.github.io/MsBackendMsp/

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Updates and expansion of the backend #10

Closed jorainer closed 2 years ago

jorainer commented 2 years ago

This PR:

Makes full use of the spectraVariableMapping for data import and export (issue #9).
Support multi-fields (e.g. Synon:) issue #6.
Uses the default unit test suite from the Spectra package.
Adds a vignette describing the usage.

jorainer commented 2 years ago

@sneumann and @michaelwitting can you please have a quick look at this PR? I think it will improve the support for MSP files. After that I plan to submit the package to Bioconductor.

michaelwitting commented 2 years ago

Looks good to me. I guess with the format variable we can later also add other styles of exporting, right?

jorainer commented 2 years ago

Exactly! At present it supports NIST MSP and MoNA MSP. It allows to import/export these, thus to also convert between formats.