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G'day, I've committed changes that improve the Adduct Search module with regard to adding custom adducts to search for. The Adducts parameter control has four new buttons: Add... Allows the user to specify an individual custom adduct. A dialog is displayed in which the user can enter the name and mass difference of the new adduct. Import... Loads custom adducts from a comma-separated values (CSV) file. The file should be formatted with one adduct defined per line, with each line having the adduct's name and mass difference values separated by a comma. Export... Saves the adducts to a comma-separated values (CSV) file. Reset Restores the list of adducts to the original default set. These changes will be available in the next release of MZmine. Regards, Chris.  |
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