oktoberfest.pl.plot_mean_sa_ce

oktoberfest.pl.plot_mean_sa_ce(sa_ce_df, filename)

Generate dotplot for spectral angle distribution over range of collision energies used for fragment intensity prediction.

Parameters:

sa_ce_df (DataFrame) – a dataframe containing the two columns “COLLISION_ENERGY”, “SPECTRAL_ANGLE”.
filename (Union[str, Path]) – the path to the location used for storing the plot

Example:

>>> from oktoberfest import plotting as pl
>>> import pandas as pd
>>> # Required columns: SPECTRA_ANGLE and COLLISION_ENERGY
>>> sa_ce_df = pd.DataFrame({"SPECTRAL_ANGLE": [0.7,0.5,0.3,0.8], "COLLISION_ENERGY": [34,31,34,31]})
>>> pl.plot_mean_sa_ce(sa_ce_df=sa_ce_df, filename="./tests/doctests/output/mean_sa_ce_plot.svg")