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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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fillPeaks.MSW-methods #520

Closed yuan596 closed 3 years ago

yuan596 commented 3 years ago

Hi,I have some questions about filling peaks.After peak grouping, the obtained matrix has many 'NA'.Can l fill the missing peak by the fillPeaks.MSW method ?

jorainer commented 3 years ago

In general, gap-filling (peak-filling) is performed after peak grouping (i.e. correspondence analysis). Note that the fillPeaks.MSW function is part of the old/original xcms (these functions are no longer updated/maintained). It is highly suggested to use the findChromPeaks, groupChromPeaks and fillChromPeaks functions instead.

Also, the MSW method can only applied to direct injection data (i.e. not LC-MS data). If you have direct injection data, performed the peak detection with findChromPeaks with the MSWParam, then fillChromPeaks will automatically use the correct peak filling method (which corresponds to the fillPeaks.MSW).

yuan596 commented 3 years ago

Thank you very munch！

jorainer commented 3 years ago

Closing this issue now - feel free to re-open if needed.