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Implemented RI getter for MatchMSData and improved documentation #8

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merged 11 commits into from
Apr 26, 2021

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hechth
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@hechth hechth commented Apr 20, 2021

Implemented the RI getter for MatchMSData by reading from Spectrum metadata.

Improved the documentation of both Data realizations and corrected data types.

Also fixed RI calculation from carbon numbers.

Closes #6 and closes #3

@hechth hechth changed the title Implemented RI getter for MathMSData and improved documentation Implemented RI getter for MatchMSData and improved documentation Apr 20, 2021
@hechth hechth merged commit 2ed2271 into RECETOX:main Apr 26, 2021
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@hechth Are we going to wrap this for Galaxy?

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hechth commented Apr 27, 2021

Yes I'm planning to do that

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