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Estimate edge position from xanes_data instead of xanes_data_original

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rasmusvt 2022-08-16 12:09:37 +02:00
parent f31849b08b
commit 8ca73e4687
1 changed files with 2 additions and 4 deletions
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6
nafuma/xanes/calib.py
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@ -462,8 +462,6 @@ def smoothing(data: dict, options={}):
# Make plots ... # Make plots ...
if options['save_plots'] or options['show_plots']: if options['save_plots'] or options['show_plots']:
edge_pos = estimate_edge_position(data=data, options=options) edge_pos = estimate_edge_position(data=data, options=options)
step_length = data['xanes_data']['ZapEnergy'].iloc[1] - data['xanes_data']['ZapEnergy'].iloc[0] 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) options = aux.update_options(options=options, required_options=required_options, default_options=default_options)
#making new dataframe to keep the differentiated data #making new dataframe to keep the differentiated data
df_diff = pd.DataFrame(data['xanes_data_original']["ZapEnergy"]) df_diff = pd.DataFrame(data['xanes_data']["ZapEnergy"])
df_diff[data['path'][index]]=data['xanes_data_original'][data['path'][index]].diff(periods=options['periods']) 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 #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)) df_diff[data['path'][index]]=df_diff[data['path'][index]].shift(-int(options['periods']/2))