shuzhao-li-lab / asari

asari, metabolomics data preprocessing
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MAX_RETENTION_SHIFT in CompositeMap.calibrate_sample_RT is not used #84

Open shuzhao-li opened 7 months ago

shuzhao-li commented 7 months ago

MAX_RETENTION_SHIFT can be from CLI arg --max_retention_shift but is not actually used because:

chromatogram.rt_lowess_calibration uses clean_rt_calibration_points, which filters out any pair of scan numbers differing > 3x stdev.

Two related notes: RT is scan number in asari by default. np.inf is not be used without strong justification. Max scan number is available per experiment.