Metabolomics: MetAlign

Transform AMDIS data files

Choose AMDIS file

Sort Key:

Signal:

RT max difference (seconds):

output format:

missing values are zero:

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 :(