shuzhao-li-lab / asari

asari, metabolomics data preprocessing
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Retention Index #94

Open jmmitc06 opened 1 month ago

jmmitc06 commented 1 month ago

GC data (and maybe someday LC data) are often reported in retention index rather than retention time. This standardizes retention time to account for changes in the column that are more frequent in GC experiments. In Asari, this should probably occur before retention time alignment and alignment should be done on retention index and not retention time. Conversion should be done per batch of samples. Maybe this is easiest if we assume that the most intense scan for a RI standard should be considered its retention time.