HUPO-PSI / psi-ms-CV

HUPO-PSI mass spectrometry CV
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A QC metric to track info surrounding enzymatic digestion #242

Closed mwalzer closed 1 month ago

mwalzer commented 4 months ago

What is the QC term's name?

enzyme digestion parameters

Briefly describe the QC term.

This metric is designed to track data for identified spectra, hence a tabular design, for now tracking the spectrum number and the number of missed cleavages.

What is the QC term's unit?

No response

Value type

MS:4000005 ! table

Describe any additional information.

Here the term's proposed entry:

[Term]
id: MS:4000xxx
name: enzyme digestion parameters
def: "Tabular representation of the parameters around enzymatic digestion." [PSI:MS]
is_a: MS:4000005 ! table
relationship: has_metric_category MS:4000008 ! ID based metric
relationship: has_metric_category MS:4000012 ! single run based metric
relationship: has_column MS:1000767 ! native spectrum identifier format
relationship: has_column MS:1003044 ! number of missed cleavages
relationship: has_optional_column MS:1000511! ms level
mwalzer commented 2 months ago

@cbielow @bittremieux Any comments before I'll create a PR?

mwalzer commented 2 months ago

digest from slack:

[Term]
id: MS:4000xxx
name: missed cleavages histogram
def: "The number of missed cleavages, tallied by the number of occurrence of n missed cleavages per spectrum for a set of identified MS2 spectra after user-defined acceptance criteria (FDR) are applied. The number of missed cleavages per spectrum is given in one column, whereas the occurrence column gives the counts of spectra with the according number of missed cleavages. The highest missed cleavage state is to be interpreted as that number of missed cleavages or more." [PSI:MS]
is_a: MS:4000005 ! table
relationship: has_metric_category MS:4000008 ! ID based metric
relationship: has_metric_category MS:4000022 ! MS2 metric
relationship: has_column MS:1003044 ! number of missed cleavages
relationship: has_column NCIT:C150827 ! Number of Occurrences

tallied <-> binned ? Is the second sentence of the definition necessary? Are there any synonymous metrics I missed?

bittremieux commented 1 month ago

Completed in #255.