Python code used to make executable program using auto-py-to-exe.

Can perform filtering, PCA, and OPLS-DA using GUI.

• Used rpy2 package to run R based code on python.

• Used ropls package in R to perform PCA and OPLS-DA

• Used tkinter to create GUI for the program

• Run InstallRPackage.py in local.bat. It will install all R packages needed for program.
• Use auto-py-to-exe to create executable file.
• Put excel sheets in Data folder and run the program.

Delete all columns that are in the same group with "Control" based on t-test.

• File Name: name of the excel file.
• Sheet Name: name of the sheet containing data.
• Metadata: column index in excel that contains metadata.
• Control Name: row number in excel that contains
• Filter: Creates new excel file named "File Name_filtered" in Data directory.

Performs PCA, PLS-DA, and OPLS-DA on selected data/group.

• File Name: name of the excel file.
• Start Column: starting column to perform PCA on.
• End Column: last column to perform PCA on.
• Color: customize color for each group.
• Read Data: read data based on the information above
• PCA: perform PCA and show graph on screen.
• Groups: select groups for PLS-DA, OPLS-DA.
• PLS/OPLS: perform PLS-DA/OPLS-DA and show graph on screen.

Creates box plot of selected/all metabolites.

• File Name, Start Column, End Column, Read Data: same with above.
• Metabolite: choose one column(Metabolite) for box plot.
• Plot One: create box plot for selected metabolite.
• Plot All: create box plot for all metabolite.