Advanced sequence segment, sample, and feature level QCs - Githubissues

dmccloskey / smartPeakPy

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Advanced sequence segment, sample, and feature level QCs #27

Open dmccloskey opened 6 years ago

dmccloskey commented 6 years ago

Description:

Calculation of advanced sequence segment, sample, and feature level quality control metrics

Objectives

Feature QCs:

[ ] Summary statistic of feature group and feature quality
[ ] Greater than 80% peak height/area compared to Blank samples (filter on "peak_apex_int")
[ ] LLOQ and ULOQ (derived from calibrators LLOQ and ULOQ; filter on "calculated_concentration")

Sample QCs:

[ ] Resolution between isomers

Sequence segment QCs:

[ ] %RSD between QCs
[ ] %carryover

Other

[ ] SST

dmccloskey commented 6 years ago

Quantitative analysis workflow:

Define the sequence for the Blank samples
Define the llod/ulod (based on 80% of the Blank samples)
Update FeatureFiler/FeatureQC files
Define the sequence for the Standard samples
Define the initial quantitationMethod file
Define the standardsConcentrations file
Define the lloq/uloq and regression parameters (based on the Standard samples)
Update FeatureFiler/FeatureQC files and quantitationMethod files
Define the sequence for the Unknown, Quality Control, and Solvent samples
Review the featureSummary and sequenceSummary