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Peak Group specific reextraction #744

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PMSeitzer opened this issue Aug 16, 2024 · 2 comments
Open

Peak Group specific reextraction #744

PMSeitzer opened this issue Aug 16, 2024 · 2 comments

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@PMSeitzer
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Given a peak group that contains peaks for samples A, B, and C; in an experiment that also contains samples D and E, apply reextraction protocol to render a reextract peak for samples D and E.

This will be very helpful for pulling out isotopic envelopes, as envelopes always start with an [M+0] peak.

Add the ability to determine which samples should be reextracted (don't just use all samples available), e.g. for the diff iso analysis, only try to reextract samples designated in the Unlabeled Sample Set and Isotopically Labeled Sample Set.

@PMSeitzer PMSeitzer self-assigned this Aug 16, 2024
@PMSeitzer PMSeitzer added the high_priority Highest priority, can release as separate milestone. label Aug 16, 2024
@PMSeitzer
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This will require creating a new parameter, and propagating forward in all relevant contexts.

@PMSeitzer
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This was originally proposed as part of https://github.com/calico/mass_spec/issues/1447, but implementation of #750 might make this work unnecessary for that ticket.

@PMSeitzer PMSeitzer removed the high_priority Highest priority, can release as separate milestone. label Sep 20, 2024
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