diff --git a/beamtime/xanes/calib.py b/beamtime/xanes/calib.py index 9e3cbdb..7a0ecb5 100644 --- a/beamtime/xanes/calib.py +++ b/beamtime/xanes/calib.py @@ -126,18 +126,7 @@ def post_edge_normalization(path, options={}): if edge == 'Ni': edge_stop = 8.361 -#============================================================= - #absolute_difference_function = lambda list_value : abs(list_value - edge_stop) - #edge_stop_value = min(df_bkgd_sub["ZapEnergy"], key=absolute_difference_function) - #end_index=df_bkgd_sub[df_bkgd_sub["ZapEnergy"]==edge_stop_value].index.values[0] - #Defining x-range for linear fit - #df_fix=df_bkgd_sub - #df_fix.dropna(inplace=True) - #df_end=df_fix[end_index:] #The region of interest for the post edge - - #Fitting linear function to the pre-edge using the background corrected intensities to make the post edge fit - #=============================================================== - df_end= df_bkgd_sub.loc[df_bkgd_sub["ZapEnergy"] > edge_stop] # new dataframe only containing the post edge -> to be fitted + df_end= df_bkgd_sub.loc[df_bkgd_sub["ZapEnergy"] > edge_stop] # new dataframe only containing the post edge, where a regression line will be calculated in the for-loop below df_end.dropna(inplace=True) #Removing all indexes without any value, as some of the data sets misses the few last data points and fucks up the fit df_postedge = pd.DataFrame(df_bkgd_sub["ZapEnergy"]) #making a new dataframe @@ -149,17 +138,14 @@ def post_edge_normalization(path, options={}): function_post_list.append(function_post) df_postedge.insert(1,files,y_post) #adding a new column with the y-values of the fitted post edge - #print(filenames[0]) - #print(df_postedge) #Plotting the background subtracted signal with the post-edge regression line and the start point for the linear regression line if options['print'] == True: ax = df_bkgd_sub.plot(x = "ZapEnergy",y=filenames) #defining x and y plt.axvline(x = min(df_end["ZapEnergy"])) fig = plt.figure(figsize=(15,15)) df_postedge.plot(x="ZapEnergy", y=filenames,color="Green",ax=ax, legend=False) - #print(function_post_list) - #print(function_post) ax = df_bkgd_sub.plot(x = "ZapEnergy",y=filenames, legend=False) #defining x and y df_postedge.plot(x="ZapEnergy", y=filenames,color="Green",ax=ax, legend=False) plt.axvline(x = min(df_end["ZapEnergy"])) - \ No newline at end of file + + return df_bkgd_sub, df_postedge \ No newline at end of file