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[CV request] filtered PSMs ppm deviation #249

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julianu opened this issue Dec 3, 2024 · 3 comments
Open

[CV request] filtered PSMs ppm deviation #249

julianu opened this issue Dec 3, 2024 · 3 comments
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@julianu
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julianu commented Dec 3, 2024

What is the QC term's name?

filtered PSMs ppm deviations

Briefly describe the QC term.

A list of all the observed mass accuracies (MS:4000072) for FDR valid (or otherwise filtered) PSMs of the run

What is the QC term's unit?

UO:0000169, tuple of MS:4000072

Value type

MS:4000004 ! n-tuple

Describe any additional information.

A histogram plot of this QC is often used to visualize the accuracy deviation of PSMs in the run.
The distribution should be narrow and close to 0 per run.

The metric is ID-based and (usually) per run

@bittremieux
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Related to MS:4000026 ! fragment ppm deviation median, MS:4000027 ! fragment ppm deviation mean, and MS:4000028 ! fragment ppm deviation sigma.

@bittremieux
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Similar to MS:4000078 ! QC2 sample mass accuracies, except with rows for all PSMs rather than the predefined QC2 peptides.

@bittremieux
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Julian will discuss whether the terms describing the distribution (mean, median, std) are sufficient, with the underlying values easy to calculate from e.g. mzTab files referred to as input for the mzQC file.

We could include some more terms to describe the distribution in more detail (+/-1.5 * IQR) to visualize the distribution as a box plot, without needing the full underlying data.

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