XCMS-centwave-exclusion-mz-list

[djawedb]

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]

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