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[New Feature] Link from SPLASH #66

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sneumann opened this issue Jan 28, 2020 · 6 comments
Open

[New Feature] Link from SPLASH #66

sneumann opened this issue Jan 28, 2020 · 6 comments
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@sneumann
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@sneumann sneumann commented Jan 28, 2020

Hi, it would be great to have SPLASH support, which would be independent of the spectral database.
This would be useful if a paper or resource specifies a reference spectrum via its SPLASH.
An example could be:
https://metabolomics-usi.ucsd.edu/spectrum/?usi=mzdata:SPLASH:splash10-0002-0900000000-f236794b68cee8f6798c
This would only work for spectra that are indexed through their SPLASH, and might initially only be feasible for e.g. reference spectra. Yours, Steffen

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@mwang87 mwang87 commented Jan 28, 2020

Lets prototype it! I think its a good idea. Might not be ready for first version of the manuscript, but is a v2 feature!

Ming

@schymane

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@schymane schymane commented Feb 3, 2020

I think this would be great ... it would allow us theoretically resource-independent plotting ... definitely a +1 my side for this feature ...

@mwang87 mwang87 self-assigned this Mar 11, 2020
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@mwang87 mwang87 commented Mar 11, 2020

Going to implement first version of this where we calculate the SPLASH and display it. In the long run, as this relationship between SPLASH and USI builds up, we can resolve back and forth!

To start off with, I will hit all GNPS and MASSBANK library spectra if feasible to make an initial stab at populating the database.

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@schymane schymane commented Mar 11, 2020

MassBank.EU spectra should already have a SPLASH in the records (but GNPS too, right?)

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@mwang87 mwang87 commented Mar 11, 2020

Yes, definitely do, Just want to automatically get peaks and generate to show proof of principle. Also, easier implementation wise to just let the system handle everything and data ingress in a single code path. We'll see! Sorry if I hit MassBank.EU servers super hard.

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@sneumann sneumann commented Mar 11, 2020

Hi, @tsufz will have an eye on system load (any ETA when that might happen ?).
Also, you could grab all records via git clone https://github.com/MassBank/MassBank-data.git.
Yours, Steffen

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