This tool includes two utilities. One that retrieves data from the KMD HMDB API formated as a tsv file, and the other plots those data in a plotly graph.

The default behavior of the plot is to produce a plot of the kmd in in function of the nominal mass of the compound.

Compounds are retrieved using a query with default parameters:

• mz default to 303.05
• mz tolerance defaults to 10.0
• adduct list defaults to "M+H"
• database default to "HMDB", and possible values are one of:
  • KMD Metabolites
  • HMDB

Those two utilities are usable independently, or sequentially in galaxy.

Multiple X / Y values in the X/Y column selection can be selected to produce a lot of graphs at once.

For example, imagine you have 5 columns in you tsv file, and those columns are named: A, B, C, D and F.

If you choose X = [A, C] and Y = [B], then you will get two graphs (in one single HTML file) with:

• f(A) = B
• f(C) = B

But if you choose multiple values for both X and Y, you get all combinations of columns X and Y. For example, if you select X = [A, B] and Y = [C, D, E], then you will get six graphs on the same plot:

• f(A) = C
• f(A) = D
• f(A) = E
• f(B) = C
• f(B) = D
• f(B) = E

All those graph's traces will be tooglable in the HTML page. So don't hesitate to select a lot of parameters for X and Y!