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berlinguyinca / spectra-hash

The splash, this is the reference documentation
http://splash.fiehnlab.ucdavis.edu
BSD 3-Clause "New" or "Revised" License
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SPLASH resolver? #38

Closed egonw closed 6 years ago

egonw commented 6 years ago

Now that there are several databases that use SPLASH, and there is not necessarily overlap in the SPLASHes they have, MONA may not have data for a real world SPLASH. Specifically, I have entered a few SPLASHes from Open Spectral DataBase to Wikidata, and these now link out to MONA where these spectra are not found.

Therefore, I was wondering if there is a central index of SPLASHes, that indexes which SPLASHes are found in which databases, and would effectively tell me which database to go to for the spectrum matching a SPLASH?

berlinguyinca commented 6 years ago

no it does not exist yet. But it would be highly appreciated if you could submit these spectra to Mona so that we can create this index!

On Mon, Mar 19, 2018, 7:29 AM Egon Willighagen notifications@github.com wrote:

Now that there are several databases that use SPLASH, and there is not necessarily overlap in the SPLASHes they have, MONA may not have data for a real world SPLASH. Specifically, I have entered a few SPLASHes from Open Spectral DataBase to Wikidata, and these now link out to MONA where these spectra are not found.

Therefore, I was wondering if there is a central index of SPLASHes, that indexes which SPLASHes are found in which databases, and would effectively tell me which database to go to for the spectrum matching a SPLASH?

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berlinguyinca commented 6 years ago

Also after talking a bit with my team, we will put a resolver together, to which people can update as they see fit, based on a simple REST API

ssmehta commented 6 years ago

I think a resolver is a good idea, but encouraging the independent databases that utilize SPLASH to keep the resolver up to date will be difficult. We are happy to put one together and populate it with the spectral records that are available to us.

stuchalk commented 6 years ago

As soon as the resolver is up I will send the splashes from my DB http://osdb.info.

berlinguyinca commented 6 years ago

looking forward to it and should happen in a couple of weeks. Btw please feel free to submit any MS Spectra, to the MoNA system at http://mona.fiehnlab.ucdavis.edu We always love to have more open spectra for the world to see!

On Fri, Mar 23, 2018 at 12:15 PM, Stuart Chalk notifications@github.com wrote:

As soon as the resolver is up I will send the splashes from my DB http://osdb.info.

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berlinguyinca commented 6 years ago

Just as an update, this resolver has been updated and made publically available for testing. Please provide me some feedback.

It's api only at this stage, have no time right now to provide a GUI for it.

https://github.com/berlinguyinca/splash-resolver