Metabolomics: MetAlign

Transform AMDIS data files


  • Output format option Excel - M orders the rows by metabolite name and then RT value
  • If there is more than one "RT" value for a metabolite then the retention times are clustered and merged using RT max difference (seconds) as a "threshold" and fclusterdata ("distance" criterion).
  • If "missing values are zero" is "No" then any missing values will result in an error. If "Yes" then missing values will be assumed to be zero.
  • If you are viewing the results with LibreOffice then you may need to press Shift+Ctrl+F9 to recalculate all formulas in the document. (See "Recalculate on File Load" buried in the menu: Tools - Options - LibreOffice Calc - Formula.)
  • Spreadsheet colours are awful I know :(