after coffee

OH2 5 KIE OH.py

@@ -151,6 +151,7 @@ def elena(d18O_A, d18O_B):
 ax.scatter(np.full(len(df), 22), df["1000lna18"],
            marker="o", color="#38342F", ec="k",
            label="experimental data from\nthis study (" + r"$\it{n}$" + f" = {len(df)})")
+print(f"\nThe mean value of 1000lna18OH- is {df['1000lna18'].mean():.1f}‰ (1σ = {df['1000lna18'].std():.1f}‰)")
 
 # Show BH21 equation without the acid fractionation correction
 ax.text(0, 14,
@@ -165,9 +166,9 @@ def elena(d18O_A, d18O_B):
 KIE_OH = (np.log((OH_eff+1000) / (OH_eq+1000))*1000)
 
 print(f"\nKIE_OH = {KIE_OH:.1f}‰ (relative to the theoretical equilibrium value from Z20-X3LYP")
-
-ax.annotate("", xy=(temp, OH_eq), xytext=(temp, OH_eff),
+ax.annotate("", xy=(temp, np.log(a18OH(temp+273.15, "Z20-X3LYP"))*1000), xytext=(temp, df["1000lna18"].mean()),
             arrowprops=dict(arrowstyle="<|-", color="#FF7A00", lw=1.5))
+
 ax.text(23, 30, r"$^{18}KIE_{OH^{-}}$", 
         ha="left", va="center", color="#FF7A00")
 

OH2 6 triple oxygen.py

@@ -417,11 +417,11 @@ def calculate_OH(d18O_CO2, Dp17O_CO2, d18O_precipitate, Dp17O_precipitate):
 ax.scatter(prime(d18O_OH), Dp17O_OH,
            fc="w", ec="#1455C0", marker="o", s=50, zorder=3)
 ax.text(prime(d18O_OH), Dp17O_OH+15,
-        r"OH$_{KIE}^{-}$",
+        r"OH$^{-}$ + KIE",
         ha="center", va="bottom", color="w")
 
 # Line between effective OH- and water
-ax.text((prime(d18O_OH) + prime(d18O_water))/2+13, (Dp17O_OH + Dp17O_water)/2+20,
+ax.text((prime(d18O_OH) + prime(d18O_water))/2+13, (Dp17O_OH + Dp17O_water)/2+25,
         r"$\theta_{H_2O/OH^-}^{effective}$ = " + f"{theta_effective}",
         ha="right", va="center", color="w",
         fontsize=12)
@@ -433,7 +433,7 @@ def calculate_OH(d18O_CO2, Dp17O_CO2, d18O_precipitate, Dp17O_precipitate):
 ax.scatter(prime(d18O_OH_eq), Dp17O_OH_eq,
            fc="w", ec="#1455C0", marker="o", s=50, zorder=3)
 ax.text(prime(d18O_OH_eq), Dp17O_OH_eq-15,
-        r"OH$_{eq.}^{-}$",
+        r"OH$^{-}$",
         ha="center", va="top", color="w")
 
 # Line between equilibrium OH- and water
@@ -459,7 +459,7 @@ def calculate_OH(d18O_CO2, Dp17O_CO2, d18O_precipitate, Dp17O_precipitate):
 ax.set_ylabel("$\Delta^{\prime 17}$O")
 ax.set_xlabel("$\delta^{\prime 18}$O")
 ax.set_ylim(-90, 290)
-ax.set_xlim(-51, -6)
+ax.set_xlim(-53, -5)
 ax.set_xticklabels([])
 ax.set_yticklabels([])
 ax.xaxis.set_ticks_position('none')