Check fit results instead of excepting KeyError
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@ -32,46 +32,44 @@ def export_comm(data, path, lorentz=False):
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with open(str(path + extension), "w") as out_file:
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with open(str(path + extension), "w") as out_file:
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for meas_num, meas in data["Measurements"].items():
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for meas_num, meas in data["Measurements"].items():
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print(meas_num)
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print(meas_num)
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try:
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if meas.get("fit") is None:
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meas_number_str = f"{meas_num[1:]:{align}{padding[0]}}"
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h_str = f'{int(meas["h_index"]):{padding[1]}}'
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k_str = f'{int(meas["k_index"]):{padding[1]}}'
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l_str = f'{int(meas["l_index"]):{padding[1]}}'
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if meas["fit"]["export_fit"] is True:
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area = float(meas["fit"]["g_amp"][0]) + float(meas["fit"]["l_amp"][0])
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else:
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area = float(meas["fit"]["int_area"]) - float(meas["fit"]["int_background"][0])
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if data["meta"]["zebra_mode"] == "bi":
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int_str = f'{"{:8.2f}".format(correction(area, lorentz, data["meta"]["zebra_mode"], meas["twotheta_angle"])):{align}{padding[2]}}'
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angle_str1 = f'{meas["twotheta_angle"]:{padding[3]}}'
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angle_str2 = f'{meas["omega_angle"]:{padding[3]}}'
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angle_str3 = f'{meas["chi_angle"]:{padding[3]}}'
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angle_str4 = f'{meas["phi_angle"]:{padding[3]}}'
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elif data["meta"]["zebra_mode"] == "nb":
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int_str = f'{"{:8.2f}".format(correction(area, lorentz, data["meta"]["zebra_mode"], meas["gamma_angle"],meas["nu_angle"])):{align}{padding[2]}}'
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angle_str1 = f'{meas["gamma_angle"]:{padding[3]}}'
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angle_str2 = f'{meas["omega_angle"]:{padding[3]}}'
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angle_str3 = f'{meas["nu_angle"]:{padding[3]}}'
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angle_str4 = f'{meas["unkwn_angle"]:{padding[3]}}'
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sigma_str = (
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f'{"{:8.2f}".format(float(meas["fit"]["g_width"][0])):{align}{padding[2]}}'
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)
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line = (
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meas_number_str
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+ h_str
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+ l_str
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+ k_str
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+ int_str
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+ sigma_str
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+ angle_str1
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+ angle_str2
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+ angle_str3
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+ angle_str4
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+ "\n"
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)
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out_file.write(line)
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except KeyError:
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print("Measurement skipped - no fit value for:", meas_num)
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print("Measurement skipped - no fit value for:", meas_num)
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continue
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meas_number_str = f"{meas_num[1:]:{align}{padding[0]}}"
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h_str = f'{int(meas["h_index"]):{padding[1]}}'
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k_str = f'{int(meas["k_index"]):{padding[1]}}'
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l_str = f'{int(meas["l_index"]):{padding[1]}}'
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if meas["fit"]["export_fit"] is True:
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area = float(meas["fit"]["g_amp"][0]) + float(meas["fit"]["l_amp"][0])
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else:
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area = float(meas["fit"]["int_area"]) - float(meas["fit"]["int_background"][0])
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if data["meta"]["zebra_mode"] == "bi":
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int_str = f'{"{:8.2f}".format(correction(area, lorentz, data["meta"]["zebra_mode"], meas["twotheta_angle"])):{align}{padding[2]}}'
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angle_str1 = f'{meas["twotheta_angle"]:{padding[3]}}'
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angle_str2 = f'{meas["omega_angle"]:{padding[3]}}'
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angle_str3 = f'{meas["chi_angle"]:{padding[3]}}'
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angle_str4 = f'{meas["phi_angle"]:{padding[3]}}'
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elif data["meta"]["zebra_mode"] == "nb":
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int_str = f'{"{:8.2f}".format(correction(area, lorentz, data["meta"]["zebra_mode"], meas["gamma_angle"],meas["nu_angle"])):{align}{padding[2]}}'
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angle_str1 = f'{meas["gamma_angle"]:{padding[3]}}'
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angle_str2 = f'{meas["omega_angle"]:{padding[3]}}'
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angle_str3 = f'{meas["nu_angle"]:{padding[3]}}'
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angle_str4 = f'{meas["unkwn_angle"]:{padding[3]}}'
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sigma_str = f'{"{:8.2f}".format(float(meas["fit"]["g_width"][0])):{align}{padding[2]}}'
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line = (
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meas_number_str
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+ h_str
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+ l_str
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+ k_str
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+ int_str
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+ sigma_str
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+ angle_str1
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+ angle_str2
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+ angle_str3
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+ angle_str4
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+ "\n"
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)
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out_file.write(line)
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