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Expand testmzkitchenprocessor to review M012A DO CR results - compute PeakGroup meanMz with double instead of float #633

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PMSeitzer opened this issue May 2, 2023 · 1 comment
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Expand testmzkitchenprocessor to review M012A DO CR results - compute PeakGroup meanMz with double instead of float #633

PMSeitzer opened this issue May 2, 2023 · 1 comment
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blocker bug high_priority Highest priority, can release as separate milestone.
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2.10.2

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@PMSeitzer PMSeitzer added the bug label May 2, 2023
@PMSeitzer PMSeitzer self-assigned this May 2, 2023
@PMSeitzer PMSeitzer added this to the 2.10.2 milestone May 2, 2023
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Completed as of eugenemel/maven_core@207dedf

There is a precision issue in the computation of the meanMz for a PeakGroup, it doesn't matter much when there aren't many samples, but the errors accumulate for large datasets.

Temporarily holding everything as a double seems to deal with the problem, however, it would probably be better longer-term to have all mass-related values stored as doubles (as of #500)

@PMSeitzer PMSeitzer added high_priority Highest priority, can release as separate milestone. blocker labels May 3, 2023
@PMSeitzer PMSeitzer changed the title Expand testmzkitchenprocessor to review M012A DO CR results Expand testmzkitchenprocessor to review M012A DO CR results - compute PeakGroup meanMz with double instead of float May 3, 2023
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