Rename guess -> value
Keep it consistent with lmfit naming convention
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@ -410,7 +410,7 @@ def create():
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if new:
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if new:
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fitparams_table_source.data.update(fit_params[new[0]])
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fitparams_table_source.data.update(fit_params[new[0]])
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else:
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else:
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fitparams_table_source.data.update(dict(param=[], guess=[], vary=[], min=[], max=[]))
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fitparams_table_source.data.update(dict(param=[], value=[], vary=[], min=[], max=[]))
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fitparams_select = MultiSelect(options=[], height=120, default_size=145)
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fitparams_select = MultiSelect(options=[], height=120, default_size=145)
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fitparams_select.tags = [0]
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fitparams_select.tags = [0]
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@ -446,17 +446,17 @@ def create():
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n = len(params)
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n = len(params)
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fitparams = dict(
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fitparams = dict(
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param=params, guess=[None] * n, vary=[True] * n, min=[None] * n, max=[None] * n,
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param=params, value=[None] * n, vary=[True] * n, min=[None] * n, max=[None] * n,
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)
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)
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return fitparams
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return fitparams
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fitparams_table_source = ColumnDataSource(dict(param=[], guess=[], vary=[], min=[], max=[]))
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fitparams_table_source = ColumnDataSource(dict(param=[], value=[], vary=[], min=[], max=[]))
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fitparams_table = DataTable(
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fitparams_table = DataTable(
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source=fitparams_table_source,
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source=fitparams_table_source,
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columns=[
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columns=[
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TableColumn(field="param", title="Parameter"),
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TableColumn(field="param", title="Parameter"),
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TableColumn(field="guess", title="Guess", editor=NumberEditor()),
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TableColumn(field="value", title="Value", editor=NumberEditor()),
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TableColumn(field="vary", title="Vary", editor=CheckboxEditor()),
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TableColumn(field="vary", title="Vary", editor=CheckboxEditor()),
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TableColumn(field="min", title="Min", editor=NumberEditor()),
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TableColumn(field="min", title="Min", editor=NumberEditor()),
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TableColumn(field="max", title="Max", editor=NumberEditor()),
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TableColumn(field="max", title="Max", editor=NumberEditor()),
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@ -507,7 +507,7 @@ def create():
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def _get_fit_params():
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def _get_fit_params():
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return dict(
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return dict(
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guess=fit_params["gauss-1"]["guess"] + fit_params["background-0"]["guess"],
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value=fit_params["gauss-1"]["value"] + fit_params["background-0"]["value"],
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vary=fit_params["gauss-1"]["vary"] + fit_params["background-0"]["vary"],
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vary=fit_params["gauss-1"]["vary"] + fit_params["background-0"]["vary"],
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constraints_min=fit_params["gauss-1"]["min"] + fit_params["background-0"]["min"],
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constraints_min=fit_params["gauss-1"]["min"] + fit_params["background-0"]["min"],
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constraints_max=fit_params["gauss-1"]["max"] + fit_params["background-0"]["max"],
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constraints_max=fit_params["gauss-1"]["max"] + fit_params["background-0"]["max"],
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@ -491,7 +491,7 @@ def create():
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if new:
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if new:
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fitparams_table_source.data.update(fit_params[new[0]])
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fitparams_table_source.data.update(fit_params[new[0]])
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else:
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else:
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fitparams_table_source.data.update(dict(param=[], guess=[], vary=[], min=[], max=[]))
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fitparams_table_source.data.update(dict(param=[], value=[], vary=[], min=[], max=[]))
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fitparams_select = MultiSelect(options=[], height=120, default_size=145)
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fitparams_select = MultiSelect(options=[], height=120, default_size=145)
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fitparams_select.tags = [0]
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fitparams_select.tags = [0]
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@ -527,17 +527,17 @@ def create():
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n = len(params)
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n = len(params)
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fitparams = dict(
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fitparams = dict(
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param=params, guess=[None] * n, vary=[True] * n, min=[None] * n, max=[None] * n,
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param=params, value=[None] * n, vary=[True] * n, min=[None] * n, max=[None] * n,
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)
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)
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return fitparams
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return fitparams
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fitparams_table_source = ColumnDataSource(dict(param=[], guess=[], vary=[], min=[], max=[]))
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fitparams_table_source = ColumnDataSource(dict(param=[], value=[], vary=[], min=[], max=[]))
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fitparams_table = DataTable(
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fitparams_table = DataTable(
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source=fitparams_table_source,
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source=fitparams_table_source,
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columns=[
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columns=[
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TableColumn(field="param", title="Parameter"),
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TableColumn(field="param", title="Parameter"),
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TableColumn(field="guess", title="Guess", editor=NumberEditor()),
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TableColumn(field="value", title="Value", editor=NumberEditor()),
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TableColumn(field="vary", title="Vary", editor=CheckboxEditor()),
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TableColumn(field="vary", title="Vary", editor=CheckboxEditor()),
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TableColumn(field="min", title="Min", editor=NumberEditor()),
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TableColumn(field="min", title="Min", editor=NumberEditor()),
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TableColumn(field="max", title="Max", editor=NumberEditor()),
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TableColumn(field="max", title="Max", editor=NumberEditor()),
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@ -588,7 +588,7 @@ def create():
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def _get_fit_params():
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def _get_fit_params():
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return dict(
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return dict(
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guess=fit_params["gauss-1"]["guess"] + fit_params["background-0"]["guess"],
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value=fit_params["gauss-1"]["value"] + fit_params["background-0"]["value"],
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vary=fit_params["gauss-1"]["vary"] + fit_params["background-0"]["vary"],
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vary=fit_params["gauss-1"]["vary"] + fit_params["background-0"]["vary"],
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constraints_min=fit_params["gauss-1"]["min"] + fit_params["background-0"]["min"],
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constraints_min=fit_params["gauss-1"]["min"] + fit_params["background-0"]["min"],
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constraints_max=fit_params["gauss-1"]["max"] + fit_params["background-0"]["max"],
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constraints_max=fit_params["gauss-1"]["max"] + fit_params["background-0"]["max"],
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@ -33,7 +33,7 @@ def create_uncertanities(y, y_err):
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def fitccl(
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def fitccl(
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scan,
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scan,
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guess,
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value,
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vary,
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vary,
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constraints_min,
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constraints_min,
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constraints_max,
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constraints_max,
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@ -90,21 +90,21 @@ def fitccl(
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if len(scan["peak_indexes"]) == 0:
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if len(scan["peak_indexes"]) == 0:
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# Case for no peak, gaussian in centre, sigma as 20% of range
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# Case for no peak, gaussian in centre, sigma as 20% of range
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peak_index = find_nearest(x, np.mean(x))
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peak_index = find_nearest(x, np.mean(x))
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guess[0] = centre if guess[0] is None else guess[0]
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value[0] = centre if value[0] is None else value[0]
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guess[1] = (x[-1] - x[0]) / 5 if guess[1] is None else guess[1]
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value[1] = (x[-1] - x[0]) / 5 if value[1] is None else value[1]
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guess[2] = 50 if guess[2] is None else guess[2]
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value[2] = 50 if value[2] is None else value[2]
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guess[3] = 0 if guess[3] is None else guess[3]
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value[3] = 0 if value[3] is None else value[3]
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guess[4] = np.mean(y) if guess[4] is None else guess[4]
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value[4] = np.mean(y) if value[4] is None else value[4]
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constraints_min[2] = 0
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constraints_min[2] = 0
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elif len(scan["peak_indexes"]) == 1:
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elif len(scan["peak_indexes"]) == 1:
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# case for one peak, takse into account users guesses
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# case for one peak, takse into account users guesses
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peak_height = scan["peak_heights"]
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peak_height = scan["peak_heights"]
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guess[0] = centre if guess[0] is None else guess[0]
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value[0] = centre if value[0] is None else value[0]
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guess[1] = 0.1 if guess[1] is None else guess[1]
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value[1] = 0.1 if value[1] is None else value[1]
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guess[2] = float(peak_height / 10) if guess[2] is None else float(guess[2])
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value[2] = float(peak_height / 10) if value[2] is None else float(value[2])
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guess[3] = 0 if guess[3] is None else guess[3]
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value[3] = 0 if value[3] is None else value[3]
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guess[4] = np.median(x) if guess[4] is None else guess[4]
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value[4] = np.median(x) if value[4] is None else value[4]
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constraints_min[0] = np.min(x) if constraints_min[0] is None else constraints_min[0]
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constraints_min[0] = np.min(x) if constraints_min[0] is None else constraints_min[0]
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constraints_max[0] = np.max(x) if constraints_max[0] is None else constraints_max[0]
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constraints_max[0] = np.max(x) if constraints_max[0] is None else constraints_max[0]
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@ -121,11 +121,11 @@ def fitccl(
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mod = Model(gaussian) + Model(background)
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mod = Model(gaussian) + Model(background)
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params = Parameters()
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params = Parameters()
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params.add_many(
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params.add_many(
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("g_cen", guess[0], bool(vary[0]), np.min(x), np.max(x), None, None),
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("g_cen", value[0], bool(vary[0]), np.min(x), np.max(x), None, None),
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("g_width", guess[1], bool(vary[1]), constraints_min[1], constraints_max[1], None, None),
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("g_width", value[1], bool(vary[1]), constraints_min[1], constraints_max[1], None, None),
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("g_amp", guess[2], bool(vary[2]), constraints_min[2], constraints_max[2], None, None),
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("g_amp", value[2], bool(vary[2]), constraints_min[2], constraints_max[2], None, None),
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("slope", guess[3], bool(vary[3]), constraints_min[3], constraints_max[3], None, None),
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("slope", value[3], bool(vary[3]), constraints_min[3], constraints_max[3], None, None),
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("intercept", guess[4], bool(vary[4]), constraints_min[4], constraints_max[4], None, None),
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("intercept", value[4], bool(vary[4]), constraints_min[4], constraints_max[4], None, None),
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)
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)
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# the weighted fit
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# the weighted fit
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weights = [np.abs(1 / val) if val != 0 else 1 for val in y_err]
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weights = [np.abs(1 / val) if val != 0 else 1 for val in y_err]
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