import pandas as pd

Load the master table we just saved

master_csv = “/mnt/data/isotope_master_table_known_vs_predicted.csv”
df_master = pd.read_csv(master_csv)

Add gap column

df_master[“Gap (Predicted – Known)”] = df_master[“Predicted Isotopes (est.)”] – df_master[“Isotopes Known”]

Save updated table

master_csv_gap = “/mnt/data/isotope_master_table_known_vs_predicted_with_gap.csv”
master_md_gap = “/mnt/data/isotope_master_table_known_vs_predicted_with_gap.md”
df_master.to_csv(master_csv_gap, index=False)

md_text = df_master.to_markdown(index=False)
with open(master_md_gap, “w”, encoding=”utf-8″) as f:
f.write(“# Master Isotope Table (Known vs Predicted + Gap, Z = 1 → 118)\n\n”)
f.write(md_text + “\n\n”)
f.write(“## Totals\n”)
f.write(f”- Total gap (Predicted – Known): {int(df_master[‘Gap (Predicted – Known)’].sum())}\n”)

from caas_jupyter_tools import display_dataframe_to_user
display_dataframe_to_user(“Master Isotope Table (Known vs Predicted + Gap, Z = 1–118)”, df_master)

int(df_master[‘Gap (Predicted – Known)’].sum()), master_csv_gap, master_md_gap