diff --git a/nafuma/xanes/calib.py b/nafuma/xanes/calib.py index beaeba7..6162d99 100644 --- a/nafuma/xanes/calib.py +++ b/nafuma/xanes/calib.py @@ -462,8 +462,6 @@ def smoothing(data: dict, options={}): # Make plots ... if options['save_plots'] or options['show_plots']: - - edge_pos = estimate_edge_position(data=data, options=options) step_length = data['xanes_data']['ZapEnergy'].iloc[1] - data['xanes_data']['ZapEnergy'].iloc[0] @@ -563,8 +561,8 @@ def estimate_edge_position(data: dict, options={}, index=0): options = aux.update_options(options=options, required_options=required_options, default_options=default_options) #making new dataframe to keep the differentiated data - df_diff = pd.DataFrame(data['xanes_data_original']["ZapEnergy"]) - df_diff[data['path'][index]]=data['xanes_data_original'][data['path'][index]].diff(periods=options['periods']) + df_diff = pd.DataFrame(data['xanes_data']["ZapEnergy"]) + df_diff[data['path'][index]]=data['xanes_data'][data['path'][index]].diff(periods=options['periods']) #shifting column values up so that average differential fits right between the points used in the calculation df_diff[data['path'][index]]=df_diff[data['path'][index]].shift(-int(options['periods']/2))