[New database addition] MS2 and merged MSn

[yguitton]

Hi @ADablanc

I recently discuss with the autors of https://chemrxiv.org/engage/chemrxiv/article-details/663ccc0a91aefa6ce19236c2
they built a really nice MS2 and MSn database creation strategy and are wondering if we can add their DB's into FragHUB
For MS2 spectra it's easy to do from msp/json, but for MSn data what can we do?

see discussion here https://compms.slack.com/archives/C0606E8N03V/p1715366713318969?thread_ts=1714117391.009739&cid=C0606E8N03V

Best
Yann

[robinschmid]

About the format requirements, there are many different flavors of msp and json formats - do you have your specs somewhere?

[yguitton]

FragHUB can deal with quite a lot of flavors, but I think that the Mona style MSP is the easiest, @ADablanc you confirme that?

[ADablanc]

hi @yguitton , hi @robinschmid !
Yes MoNA or GNPS styles are the easiest because they are already integrated into FragHub.
However, we can definitely supplement our conversion dictionary to incorporate your fomat if it's specific

[ADablanc]

About the format requirements, there are many different flavors of msp and json formats - do you have your specs somewhere?

@robinschmid Are you talking about the input format or the output format?
for input format we have a dictionnary for field names conversion here: https://github.com/eMetaboHUB/FragHub/blob/main/datas/key_to_convert.csv