Individual custom molecules

metaspace2020 / metaspace

Cloud engine and platform for metabolite annotation for imaging mass spectrometry

https://metaspace2020.eu/

Apache License 2.0

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Individual custom molecules #151

Closed theodev closed 2 years ago

theodev commented 5 years ago

@LachlanStuart this can be a perfect first task for serverless:

take mol formula from a user
pull data from imzML from S3 using serverless
calculate rho_* and MSM for the images using serverless
pass it to the webapp for visualization
no FDR should be calculated, but may be "interpolated" based on FDR and MSM values of annotations from the same dataset
(optionally) add the results into "Individual molecules" database

LachlanStuart commented 5 years ago

This would synergize well with having dataset-level permissions to allow other people to trigger processing jobs for the dataset. E.g. if somebody was doing a study on mouse kidneys, and they were interested in a specific molecule that wasn't in HMDB, they could (probably through python-client) trigger annotation for that molecule on other peoples' mouse kidney samples annotated.

I've addedthis to the notes to discuss at the next strategic meeting.

intsco commented 4 years ago

The case described in the issue is somewhat implemented through the custom databases. Do we still need to keep the issue given it's a pretty old one?

LachlanStuart commented 2 years ago

Closing this as it's covered by Custom DBs and partially by ImzML Browser