Can someone update the NPA database?

[typewritermonkey]

Hi I'm using the Metfrag online tool to check my MS2 spectra against in-silico predicted spectra from the Natural Products Atlas, but the last update to your copy of the database seems to be from 2019 and they have added a lot more compounds since then.

Would someone be able to update your copy to a current copy?

Thanks

Dan

[schymane]

Great to hear you are using these files ;-)

I have created a new version (latest available via downloads) on Zenodo and sent a pull request to @sneumann
ipb-halle/MetFragRelaunched#146

(please see notes in there for more details).

[typewritermonkey]

Wow I didn’t expect anyone to reply, thanks Emma 🥰 Get Outlook for iOS<https://aka.ms/o0ukef>

…

________________________________ From: Emma Schymanski ***@***.***> Sent: Thursday, August 1, 2024 8:12:01 PM To: ipb-halle/MetFrag ***@***.***> Cc: typewritermonkey ***@***.***>; Author ***@***.***> Subject: Re: [ipb-halle/MetFrag] Can someone update the NPA database? (Issue #24) Great to hear you are using these files ;-) I have created a new version (latest available via downloads) on Zenodo<https://zenodo.org/records/13148840> and sent a pull request to @sneumann<https://github.com/sneumann> ipb-halle/MetFragRelaunched#146<ipb-halle/MetFragRelaunched#146> (please see notes in there for more details). — Reply to this email directly, view it on GitHub<#24 (comment)>, or unsubscribe<https://github.com/notifications/unsubscribe-auth/A5WH2GET2ZMTXOKST45W2M3ZPHUVDAVCNFSM6AAAAABLZ3A4JKVHI2DSMVQWIX3LMV43OSLTON2WKQ3PNVWWK3TUHMZDENRSGMZDGMBQGA>. You are receiving this because you authored the thread.Message ID: ***@***.***>

[sneumann]

While we are maintaining MetFrag on a best effort basis, things happen fast if we notice ;-)
I have deployed on https://msbi.ipb-halle.de/MetFragBeta/ for testing.
Yours, Steffen

[schymane]

Thanks @sneumann I have tested several examples on MetFragBeta and all is working as expected ;-)
All good to go to "real" MetFrag! Thanks!