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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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XCMS-centwave-exclusion-mz-list #646

Open djawedb opened 1 year ago

djawedb commented 1 year ago

Hi everyone, I was wondering if it is possible to include an exclusion m/z list when using peak picking with XCMS? is there any parameter that we can add in centwave to perform that? Thanks, DJ

sneumann commented 1 year ago

Hi, currently there is no such parameter. Would it work to filter the resulting peaks ? What is the actual use case ? If there are contaminants, you probably don't want to trust any picked peaks near that m/z range. Alternatively, you could filter the inputs. Yours, Steffen