Usage

First, launch the cell to initialize the Graphical User Interface.

Type in a name for the run. This name will be used to create the folder in which the results will be exported. All characters that are not allowed for naming folders should be avoided.

Tick the Plot Mean Ratios checkbox if the data contains multiple samples and the means have to be calculated.

Use the Upload Isocor Data button to upload your data.

Click on the submit data button. This will create the run folder and export the results file. A new dropdown menu will appear with the names of all the metabolites that are in the data file. Use this dropdown to select the metabolites that should be plotted. Once the metabolites have been selected, click the submit metabolites button to generate the dropdown menus for isotopologue selection.

When the metabolite dropdown menus appear, the isotopologues for which the experimental ratios are beneath the threshold will automatically be unselected (threshold is by default equal to 0.02). Select for each metabolite the isotopologues that must be plotted and click the generate plots button. This will generate the figures and you can review them before choosing or not to save them.

Once you are happy with the plots that you have, click the save plots button which will generate a pdf in which each requested metabolite is plotted (2 plots per page).