change_col_names()
Create custom column names for pivotting.
extract_sim_data()
Extract the SIM traces
find_peaks()
Find all peaks
fix_mzml()
Fix mzML file
get_all_sim()
Show all the SIM traces.
group_peaks()
Group peaks
plot_cim()
titla Plot CIM chromatogram
plot_reconstruct_spectrum()
Plot the reconstructed EISA fragmentation spectrum
plot_sims()
Show the SIM traces
read_files()
Read the files
reconstruct_spectrum()
Calculate the ratio's for the reconstructed EISA fragmentation spectrum