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Add back in uncertainties and signals from filtered peaks for SLSUnique #221

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AdityaSavara opened this issue Feb 13, 2020 · 1 comment
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enhancement New feature or request help wanted Extra attention is needed

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@AdityaSavara
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For filtered to 0 small reference peaks, need to keep track of them. see if
any other molecules used it for solving and then add that amount back on
as uncertainty in the solved peak in a post processing step. Simple way:
take predicted signal for molecule that had filtering, get absolute
uncertainty. Get predicted signal for molecule that had sls unique on it. Get
uncertainty. Subtract the "filtered" molecule's contribution, consider the uncertainties as orthogonal.

Then, scale both the previously solved concentration and previously solved relative uncertainty based on the new values.

@AdityaSavara AdityaSavara added enhancement New feature or request help wanted Extra attention is needed labels Feb 13, 2020
@AdityaSavara
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This is done or mostly done in SLSimplicit correction.
It should be checked whether the uncertainties are updated during SLSimplicit, but I think this issues card was actually completely sometime in 2020 (this comment is being made in Nov 2021).

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