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sneumann / xcms

This is the git repository matching the Bioconductor package xcms: LC/MS and GC/MS Data Analysis
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adjustRtime() #651

Open linlennypinawa opened 1 year ago

linlennypinawa commented 1 year ago

I came across the nice thing.

adjustRtime() works on a MSnExp object. So I could generate plots with ggplot2. Here are a couple of examples.

Overlay_RTadj Figure 1: Overlaid TIC plots.

time_diff Figure 2: Time adjustment

The con of this approach is that I cannot apply adjusted RT to the MSnExp object.

jorainer commented 1 year ago

Do you need a MSnExp object or would a OnDiskMSnExp also work? For OnDiskMSnExp it would be easy to apply (replace) the retention times...