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shuzhao-li-lab / asari

asari, metabolomics data preprocessing
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Improve build_chromatogram_by_mz_clustering in m/z dense regions #41

Closed jmmitc06 closed 2 weeks ago

jmmitc06 commented 1 year ago

build_chromatogram_by_mz_clustering takes prohibitively long on some samples where there are high m/z dense regions.

jmmitc06 commented 2 weeks ago

This only occurred on the nano-LC data and in hindsight, was probably just really slow because it was using the small study way of making the mass grid. This is likely still an issue but until I find a reproducible case, I'm going to defer trying to fix this.