On data inputs

(2) How can I use a different set of isotopes in enviMass? Sure you can ...
    Very similar to the above FAQ (1). Before starting the workflow via webMass(), I make sure my own table of isotopes is present in the R workspace. For exemplification, after loading the enviMass package via ...

    library(enviMass)

    ... I can load the default isotope table from the enviPat library and have a look at its help file to see how the table is formatted ...

    library(enviPat)
    data(isotopes)
    ?isotopes

    ... and expand it with entries of my own ...

    new_isotope_1<-c("[81]Br","81Br","80.916291","0.49310000","2")
    new_isotope_2<-c("[41]K","41K","40.961826","0.06730200","0")
    isotopes<-rbind(isotopes,new_isotope_1,new_isotope_2)

    ... and then start the UI and a new project to make this isotope table available in this very project (e.g., for calculating compound isotopologue patterns):

    webMass()

    I ensure the modified isotope table is available in the R workspace whenever I open this particular project (you can use commands save, load).

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