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shuzhao-li-lab / asari

asari, metabolomics data preprocessing
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To enforce RT in `12C/13C isotopic pairs as landmarks` #87

Closed shuzhao-li closed 6 months ago

shuzhao-li commented 7 months ago

This is used in --autoheight. The estimated parameters['min_peak_height'] tends to be too low, which skews noise estimation (currently based on np.quantile(list_intensity, 0.25)).

shuzhao-li commented 6 months ago

Added analyze.match_mzdiff_pairs_by_rt. This reduced number of reported 12C/13C isotopic pairs, but min_peak_height remains similar. In v1.13, we made min_peak_height adjusted per mass track, default 0.001 * max height in track. One may argue that a mass track should have dynamic range > 1e3. We cannot be sure of trace leftover in columns either.