On data inputs

(1) To include a different set of adducts in an enviMass project, I do the following:
    Before starting the workflow via webMass(), I load my own table of adducts into R. For exemplification, after loading the enviMass package via ...

    library(enviMass)

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

    library(enviPat)
    data(adducts)
    ?adducts

    ... and expand it with an entry of my own ...

    new_adduct<-c("6M-2H","6M-2.014552","-2","6","2.014552","negative","FALSE","H2","6")
    adducts<-rbind(adducts,new_adduct)

    ... and then start the UI and a new project to make this adduct table available in this very project (e.g., in Settings -> Screening -> Adducts):

    webMass()

    I ensure the modified adduct table is available in the R workspace whenever I open this particular project (you can use commands save, load. The adduct table must always be consistent with the adducts listed under the tab Settings -> Screening -> Adducts of an existing project.)

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