Re-run clean merge to build Master Table (Known vs Predicted, Z=1–118)


# Re-run clean merge to build Master Table (Known vs Predicted, Z=1–118)

import pandas as pd

# Strict known data (Element, Known, Stable)
rows_known = [
    ("H (1)", 7, 2), ("He (2)", 9, 2), ("Li (3)", 11, 2), ("Be (4)", 12, 1), ("B (5)", 13, 2), ("C (6)", 15, 2),
    ("N (7)", 16, 2), ("O (8)", 17, 3), ("F (9)", 18, 1), ("Ne (10)", 19, 3), ("Na (11)", 20, 1), ("Mg (12)", 22, 3),
    ("Al (13)", 22, 1), ("Si (14)", 23, 3), ("P (15)", 23, 1), ("S (16)", 24, 4), ("Cl (17)", 24, 2), ("Ar (18)", 24, 3),
    ("K (19)", 24, 2), ("Ca (20)", 24, 6), ("Sc (21)", 25, 1), ("Ti (22)", 26, 5), ("V (23)", 26, 1), ("Cr (24)", 26, 4),
    ("Mn (25)", 26, 1), ("Fe (26)", 28, 4), ("Co (27)", 29, 1), ("Ni (28)", 31, 5), ("Cu (29)", 29, 2), ("Zn (30)", 30, 5),
    ("Ga (31)", 31, 2), ("Ge (32)", 32, 5), ("As (33)", 33, 1), ("Se (34)", 30, 6), ("Br (35)", 31, 2), ("Kr (36)", 32, 6),
    ("Rb (37)", 32, 1), ("Sr (38)", 34, 4), ("Y (39)", 32, 1), ("Zr (40)", 34, 5), ("Nb (41)", 34, 1), ("Mo (42)", 35, 7),
    ("Tc (43)", 36, 0), ("Ru (44)", 37, 7), ("Rh (45)", 35, 1), ("Pd (46)", 36, 6), ("Ag (47)", 38, 2), ("Cd (48)", 39, 8),
    ("In (49)", 39, 2), ("Sn (50)", 40, 10), ("Sb (51)", 36, 2), ("Te (52)", 38, 8), ("I (53)", 37, 1), ("Xe (54)", 40, 9),
    ("Cs (55)", 39, 1), ("Ba (56)", 40, 7), ("La (57)", 39, 1), ("Ce (58)", 40, 4), ("Pr (59)", 39, 1), ("Nd (60)", 41, 5),
    ("Pm (61)", 39, 0), ("Sm (62)", 41, 7), ("Eu (63)", 40, 2), ("Gd (64)", 41, 7), ("Tb (65)", 39, 1), ("Dy (66)", 40, 7),
    ("Ho (67)", 39, 1), ("Er (68)", 40, 6), ("Tm (69)", 39, 1), ("Yb (70)", 41, 7), ("Lu (71)", 40, 1), ("Hf (72)", 36, 5),
    ("Ta (73)", 37, 1), ("W (74)", 35, 5), ("Re (75)", 39, 1), ("Os (76)", 35, 7), ("Ir (77)", 34, 2), ("Pt (78)", 35, 6),
    ("Au (79)", 36, 1), ("Hg (80)", 38, 7), ("Tl (81)", 39, 2), ("Pb (82)", 43, 4), ("Bi (83)", 41, 0), ("Po (84)", 42, 0),
    ("At (85)", 39, 0), ("Rn (86)", 39, 0), ("Fr (87)", 34, 0), ("Ra (88)", 34, 0), ("Ac (89)", 33, 0), ("Th (90)", 31, 1),
    ("Pa (91)", 29, 0), ("U (92)", 28, 0), ("Np (93)", 20, 0), ("Pu (94)", 20, 0), ("Am (95)", 17, 0), ("Cm (96)", 19, 0),
    ("Bk (97)", 21, 0), ("Cf (98)", 20, 0), ("Es (99)", 18, 0), ("Fm (100)", 19, 0), ("Md (101)", 16, 0), ("No (102)", 13, 0),
    ("Lr (103)", 16, 0), ("Rf (104)", 18, 0), ("Db (105)", 16, 0), ("Sg (106)", 14, 0), ("Bh (107)", 15, 0), ("Hs (108)", 15, 0),
    ("Mt (109)", 13, 0), ("Ds (110)", 15, 0), ("Rg (111)", 11, 0), ("Cn (112)", 9, 0), ("Nh (113)", 9, 0), ("Fl (114)", 6, 0),
    ("Mc (115)", 4, 0), ("Lv (116)", 4, 0), ("Ts (117)", 2, 0), ("Og (118)", 1, 0)
]
df_known = pd.DataFrame(rows_known, columns=["Element (Z)", "Isotopes Known", "Stable"])
df_known["Unstable"] = df_known["Isotopes Known"] - df_known["Stable"]

# Load predicted
pred = pd.read_csv("/mnt/data/isotope_predicted_only_Z1-118.csv")
pred = pred.rename(columns={"Isotopes Known": "Isotopes Known (pred)"})

# Merge properly
df_master = pd.merge(df_known, pred[["Element (Z)", "Predicted Isotopes (est.)"]], on="Element (Z)", how="left")

# Totals
totals_master = {
    "Total elements": len(df_master),
    "Known isotopes": int(df_master["Isotopes Known"].sum()),
    "Stable isotopes (strict)": int(df_master["Stable"].sum()),
    "Unstable isotopes": int(df_master["Unstable"].sum()),
    "Predicted isotopes": int(df_master["Predicted Isotopes (est.)"].sum()),
}

# Save
master_csv = "/mnt/data/isotope_master_table_known_vs_predicted.csv"
master_md = "/mnt/data/isotope_master_table_known_vs_predicted.md"
df_master.to_csv(master_csv, index=False)

md_text = df_master.to_markdown(index=False)
with open(master_md, "w", encoding="utf-8") as f:
    f.write("# Master Isotope Table (Known vs Predicted, Z = 1 → 118)\n\n")
    f.write(md_text + "\n\n")
    f.write("## Totals\n")
    for k, v in totals_master.items():
        f.write(f"- {k}: {v}\n")

from caas_jupyter_tools import display_dataframe_to_user
display_dataframe_to_user("Master Isotope Table (Known vs Predicted, Z = 1–118)", df_master)

totals_master, master_csv, master_md





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