export fragmentation tree

[mar-garcia]

Is it possible to export the fragmentation tree from the R package? Or obtain the formulas of the explained peaks?

[philouail]

That can definitely be done! the easiest output is in json. is there another type of output you would prefer ?

In the future I ideally want to be able to plot spectrum with the formula for each peak visible but that will come later.

[mar-garcia]

That could be great!
JSON it's ok.
I think could be very useful that in the output table there is an additional column with the formulas of explained peaks for each candidate formula.

[philouail]

Ok i'll quickly create a json export for the fragmentation tree.

And you are right for the table. That will not be for the next version but definitely very soon.