Second request merge of BfG spectra to MassBank dev

[ksjewell]

I made the changes requested in PR "Request merge of BfG Spectra to MassBank dev #245".
All the files were updated.

[ksjewell]

I see the validation error. I'll correct it and export again.

[meier-rene]

I had a look at it. There are two issues:

• AC$MASS_SPECTROMETRY: MS_TYPE CID should be AC$MASS_SPECTROMETRY: MS_TYPE MS2
• ionisation should look like this AC$MASS_SPECTROMETRY: FRAGMENTATION_MODE CID
• there is an empty line at the end and the validator will complain.

[ksjewell]

I made the first two corrections but the last one has to do with
export(MsBackendMassbank(), sps, file = glue("{saveDir}/{sps$accession}.txt"))
the Spectra function, correct?

[meier-rene]

You are probably right. Then it needs to be fixed there. please dont put too much effort in this on. I can easily do that after the export.

[ksjewell]

No problem, I'll just fix it after export with sed.