AeroViz 0.1.3__py3-none-any.whl → 0.1.4__py3-none-any.whl

AeroViz/__init__.py

@@ -1,12 +1,14 @@
 # This file is used to import all the modules in the AeroViz package
 from AeroViz import plot
-from AeroViz.dataProcess import Optical, SizeDistr, Chemistry, VOC
+from AeroViz.dataProcess import DataProcess
 from AeroViz.rawDataReader import RawDataReader
 from AeroViz.tools import DataBase, DataReader, DataClassifier
 
 __all__ = [
-	'plot',
-	'RawDataReader',
-	'Optical', 'SizeDistr', 'Chemistry', 'VOC',
-	'DataBase', 'DataReader', 'DataClassifier'
+    'plot',
+    'RawDataReader',
+    'DataProcess',
+    'DataBase',
+    'DataReader',
+    'DataClassifier'
 ]

AeroViz/{config → data}/DEFAULT_DATA.csv

@@ -1,4 +1,4 @@
-Time,SO2,NO,NOx,NO2,CO,O3,THC,CH4,NMHC,PM10,PM25,WS,WD,AT,RH,RT,Benzene,Toluene,EthylBenzene,m/p-Xylene,o-Xylene,Si,Ti,V,Cr,Mn,Fe,Co,Ni,Cu,Zn,Ga,As,Se,Br,Sr,Ag,Cd,Sn,Sb,Ba,Hg,Tl,Pb,NH3,HF,HCl,HNO2,HNO3,G-SO2,Na+,NH4+,K+,Mg2+,Ca2+,F-,Cl-,NO2-,NO3-,PO43-,SO42-,Extinction,Scattering,Absorption,MEE,MSE,MAE,SSA,SAE450700,AAE370880,Vis_Naked,Vis_LPV,BC,VC,PBLH,T_OC,T_EC,O_OC,O_EC,POC,SOC,NOR,SOR,PM1,ALWC,pH,NH4_status,AS,AN,OM,Soil,SS,EC,SIA,total_mass,unknown_mass,AS_ratio,AN_ratio,OM_ratio,Soil_ratio,SS_ratio,EC_ratio,SIA_ratio,unknown_mass_ratio,AS_volume,AN_volume,OM_volume,Soil_volume,SS_volume,EC_volume,total_volume,AS_volume_ratio,AN_volume_ratio,OM_volume_ratio,Soil_volume_ratio,SS_volume_ratio,EC_volume_ratio,density,ALWC_volume_ratio,gRH,k_amb,k_dry,kappa_chem,kappa_vam,n_amb,n_dry,AS_ext_dry,AN_ext_dry,OM_ext_dry,Soil_ext_dry,SS_ext_dry,EC_ext_dry,total_ext_dry,AS_ext,AN_ext,OM_ext,Soil_ext,SS_ext,EC_ext,total_ext,ALWC_AS_ext,ALWC_AN_ext,ALWC_SS_ext,ALWC_ext,fRH_IMPR,ScatteringByGas,AbsorptionByGas,ExtinctionByGas,Number,GMDn,GSDn,mode_n,ultra_n,accum_n,coarse_n,Surface,GMDs,GSDs,mode_s,ultra_s,accum_s,coarse_s,Volume,GMDv,GSDv,mode_v,ultra_v,accum_v,coarse_v,Bext_internal,GMDext_in,GSDext_in,mode_ext_in,ultra_ext_in,accum_ext_in,coarse_ext_in,Bsca_internal,Babs_internal,Bext_external,GMDext_ex,GSDext_ex,mode_ext_ex,ultra_ext_ex,accum_ext_ex,coarse_ext_ex,Bsca_external,Babs_external,Bext_Fixed_PNSD,Bext_Fixed_RI,PG,MAC,Ox,N2O5_tracer,Vis_cal,OCEC_ratio,PM1/PM25,MEE_PNSD
+Time,SO2,NO,NOx,NO2,CO,O3,THC,CH4,NMHC,PM10,PM2.5,WS,WD,AT,RH,RT,Benzene,Toluene,EthylBenzene,m/p-Xylene,o-Xylene,Si,Ti,V,Cr,Mn,Fe,Co,Ni,Cu,Zn,Ga,As,Se,Br,Sr,Ag,Cd,Sn,Sb,Ba,Hg,Tl,Pb,NH3,HF,HCl,HNO2,HNO3,G-SO2,Na+,NH4+,K+,Mg2+,Ca2+,F-,Cl-,NO2-,NO3-,PO43-,SO42-,Extinction,Scattering,Absorption,MEE,MSE,MAE,SSA,SAE450700,AAE370880,Vis_Naked,Vis_LPV,BC,VC,PBLH,T_OC,T_EC,O_OC,O_EC,POC,SOC,NOR,SOR,PM1,ALWC,pH,NH4_status,AS,AN,OM,Soil,SS,EC,SIA,total_mass,unknown_mass,AS_ratio,AN_ratio,OM_ratio,Soil_ratio,SS_ratio,EC_ratio,SIA_ratio,unknown_mass_ratio,AS_volume,AN_volume,OM_volume,Soil_volume,SS_volume,EC_volume,total_volume,AS_volume_ratio,AN_volume_ratio,OM_volume_ratio,Soil_volume_ratio,SS_volume_ratio,EC_volume_ratio,density,ALWC_volume_ratio,gRH,k_amb,k_dry,kappa_chem,kappa_vam,n_amb,n_dry,AS_ext_dry,AN_ext_dry,OM_ext_dry,Soil_ext_dry,SS_ext_dry,EC_ext_dry,total_ext_dry,AS_ext,AN_ext,OM_ext,Soil_ext,SS_ext,EC_ext,total_ext,ALWC_AS_ext,ALWC_AN_ext,ALWC_SS_ext,ALWC_ext,fRH_IMPR,ScatteringByGas,AbsorptionByGas,ExtinctionByGas,Number,GMDn,GSDn,mode_n,ultra_n,accum_n,coarse_n,Surface,GMDs,GSDs,mode_s,ultra_s,accum_s,coarse_s,Volume,GMDv,GSDv,mode_v,ultra_v,accum_v,coarse_v,Bext_internal,GMDext_in,GSDext_in,mode_ext_in,ultra_ext_in,accum_ext_in,coarse_ext_in,Bsca_internal,Babs_internal,Bext_external,GMDext_ex,GSDext_ex,mode_ext_ex,ultra_ext_ex,accum_ext_ex,coarse_ext_ex,Bsca_external,Babs_external,Bext_Fixed_PNSD,Bext_Fixed_RI,PG,MAC,Ox,N2O5_tracer,Vis_cal,OCEC_ratio,PM1/PM25,MEE_PNSD
 2021-02-01 00:00:00,2.5,10.4,53.0,42.6,1.3,14.6,2.2,2.0,0.2,84.0,56.0,1.3,306.0,20.5,76.8,24.4,0.99,2.67,0.19,0.68,0.21,,,,,,,,,,,,,,,,,,,,,,,,12.5774,,0.5693,0.4759,,0.0714,0.4765,11.6625,0.0743,0.2798,0.2885,,0.1486,0.5551,6.4869,,2.9681,179.879,129.306,50.573,3.212125969,2.309035714,0.903090254,0.718849677,1.624,1.356,,2.4,3593.466667,48.54,37.339,0.540278143,0.169467395,,,7.108993122,2.413756878,0.056,0.229,35.56,15.537361,3.88663594,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,11.3805792163543,14.058,25.4385792163544,65073.8724853036,26.1370756001682,2.27387008559594,11.8,0.9,0.1,0.0,1056999978.60697,202.561522810954,2.46787275826095,175.1255164,0.17,0.8,0.03,51861790000.2695,421.511551165032,2.3298013391531,378.4899973,0.03,0.8,0.16,,,,,,,,,,,,,,,,,,,,,205.317579216354,298.423186359831,57.2,621.96,6.09298472862313,,0.635,
 2021-02-01 01:00:00,2.1,1.8,36.7,34.8,0.9,21.1,2.2,2.1,0.1,73.0,49.0,1.2,291.0,19.7,80.5,24.4,1.14,1.84,0.12,0.43,0.11,,,,,,,,,,,,,,,,,,,,,,,,12.0403,,0.5965,0.3095,,0.0355,0.4456,11.057,0.0568,0.284,0.2534,,0.1092,0.2621,5.8583,,2.8003,162.183,120.322,41.861,3.309852291,2.45555102,0.854301271,0.741891421,1.668,1.285,10.0,2.4,3008.316667,50.13,41.775,0.466460746,0.148629793,,,6.036647232,1.923627768,0.061,0.25,32.2,18.378917,3.919787846,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,11.4116843184148,11.484,22.8956843184148,42275.3347651561,32.3417554250119,2.43890896537368,11.8,0.85,0.15,0.0,979132241.788556,213.495369564376,2.34216600590469,192.8357499,0.16,0.81,0.03,49066097131.0516,420.683242663998,2.27756054854188,378.4899973,0.03,0.81,0.15,,,,,,,,,,,,,,,,,,,,,185.078684318415,281.646089623498,55.9,734.28,6.75779828958646,,0.657142857142857,
 2021-02-01 02:00:00,2.9,9.8,61.0,51.1,0.99,10.7,2.4,2.1,0.3,94.0,70.0,1.3,299.0,19.4,82.8,24.4,1.08,1.98,0.14,0.14,0.12,0.479322,0.013841,0.001037,0.002118,0.026962,0.49815,,,0.039141,0.140642,,0.008099,0.003098,0.023387,,,,0.018278,0.011566,0.005437,,,0.009238,12.0026,,0.3118,0.2484,,0.0514,0.424,12.8777,0.0656,0.2885,0.2404,,0.1137,0.4371,8.3928,,2.7932,208.59,158.844,49.746,2.979859428,2.2692,0.710659428,0.761512432,1.75,1.31,,2.55,3570.75,58.135,44.719,0.624357056,0.20177276,,,7.06735645,2.12126855,0.06,0.194,34.93,24.048226,3.879511152,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,,11.4233926128591,16.863,28.2863926128591,62303.8712944327,30.3238605222433,2.49086526854534,11.8,0.85,0.15,0.0,1391459557.50536,211.541054105552,2.30001297386085,186.741787,0.15,0.82,0.02,67916033048.9499,402.359688194295,2.22606883392695,366.5290201,0.03,0.84,0.13,,,,,,,,,,,,,,,,,,,,,236.876392612859,246.544677289442,61.8,546.77,5.25432666954312,,0.499,

AeroViz/dataProcess/Chemistry/__init__.py

@@ -1,63 +1,63 @@
-from ..core import _writter, _run_process
+from ..core import Writer, run_process
 
 __all__ = [
 
-	'Chemistry',
+    'Chemistry',
 
 ]
 
 
-class Chemistry(_writter):
+class Chemistry(Writer):
 
-	## Reconstruction
-	@_run_process('Chemistry - reconstruction basic', 'reconstrc_basic')
-	def ReConstrc_basic(self, *df_chem, df_ref=None, df_water=None, df_density=None,
-						nam_lst=['NH4+', 'SO42-', 'NO3-', 'Fe', 'Na+', 'OC', 'EC']):
-		from ._mass_volume import _basic
+    ## Reconstruction
+    @run_process('Chemistry - reconstruction basic', 'reconstrc_basic')
+    def ReConstrc_basic(self, *df_chem, df_ref=None, df_water=None, df_density=None,
+                        nam_lst=['NH4+', 'SO42-', 'NO3-', 'Fe', 'Na+', 'OC', 'EC']):
+        from ._mass_volume import _basic
 
-		out = _basic(df_chem, df_ref, df_water, df_density, nam_lst=nam_lst)
+        out = _basic(df_chem, df_ref, df_water, df_density, nam_lst=nam_lst)
 
-		return self, out
+        return self, out
 
-	## Partition
-	@_run_process('Chemistry -  Partition', 'partition')
-	def Partition(self, *df_chem, nam_lst=['NH4+', 'SO42-', 'NO3-', 'Cl-', 'NO2', 'HNO3', 'SO2', 'NH3', 'HCl', 'temp']):
-		from ._partition import _basic
+    ## Partition
+    @run_process('Chemistry -  Partition', 'partition')
+    def Partition(self, *df_chem, nam_lst=['NH4+', 'SO42-', 'NO3-', 'Cl-', 'NO2', 'HNO3', 'SO2', 'NH3', 'HCl', 'temp']):
+        from ._partition import _basic
 
-		out = _basic(df_chem, nam_lst=nam_lst)
+        out = _basic(df_chem, nam_lst=nam_lst)
 
-		return self, out
+        return self, out
 
-	## ISOROPIA
-	@_run_process('Chemistry - ISOROPIA', 'isoropia')
-	def ISOROPIA(self, *df_chem,
-				 nam_lst=['Na+', 'SO42-', 'NH4+', 'NO3-', 'Cl-', 'Ca2+', 'K+', 'Mg2+', 'NH3', 'HNO3', 'HCl', 'RH',
-						  'temp']):
-		from ._isoropia import _basic
+    ## ISOROPIA
+    @run_process('Chemistry - ISOROPIA', 'isoropia')
+    def ISOROPIA(self, *df_chem,
+                 nam_lst=['Na+', 'SO42-', 'NH4+', 'NO3-', 'Cl-', 'Ca2+', 'K+', 'Mg2+', 'NH3', 'HNO3', 'HCl', 'RH',
+                          'temp']):
+        from ._isoropia import _basic
 
-		if self.path_out is None:
-			raise ValueError('Please Input "path_out" !!')
+        if self.path_out is None:
+            raise ValueError('Please Input "path_out" !!')
 
-		out = _basic(df_chem, self.path_out, nam_lst=nam_lst)
+        out = _basic(df_chem, self.path_out, nam_lst=nam_lst)
 
-		return self, out
+        return self, out
 
-	## OCEC
-	@_run_process('Chemistry - OC/EC basic', 'ocec_basic')
-	def OCEC_basic(self, df_lcres, df_res, df_mass=None, ocec_ratio=None, ocec_ratio_month=1, hr_lim=200,
-				   least_square_range=(0.1, 2.5, 0.1), WISOC_OC_range=(0.2, 0.7, 0.01), ):
-		from ._ocec import _basic
+    ## OCEC
+    @run_process('Chemistry - OC/EC basic', 'ocec_basic')
+    def OCEC_basic(self, df_lcres, df_res, df_mass=None, ocec_ratio=None, ocec_ratio_month=1, hr_lim=200,
+                   least_square_range=(0.1, 2.5, 0.1), WISOC_OC_range=(0.2, 0.7, 0.01), ):
+        from ._ocec import _basic
 
-		out = _basic(df_lcres, df_res, df_mass, ocec_ratio, ocec_ratio_month, hr_lim, least_square_range,
-					 WISOC_OC_range)
+        out = _basic(df_lcres, df_res, df_mass, ocec_ratio, ocec_ratio_month, hr_lim, least_square_range,
+                     WISOC_OC_range)
 
-		return self, out
+        return self, out
 
-	## TEOM
-	@_run_process('Chemistry - TEOM basic', 'teom_basic')
-	def TEOM_basic(self, df_teom, df_check=None):
-		from ._teom import _basic
+    ## TEOM
+    @run_process('Chemistry - TEOM basic', 'teom_basic')
+    def TEOM_basic(self, df_teom, df_check=None):
+        from ._teom import _basic
 
-		out = _basic(df_teom, df_check)
+        out = _basic(df_teom, df_check)
 
-		return self, out
+        return self, out

AeroViz/dataProcess/Chemistry/_calculate.py

@@ -1,27 +1,27 @@
-from pandas import concat, DataFrame
+from pandas import concat
 
 # parameter
 _mol_wg = {
-	'SO42-': 96.06,
-	'NO3-': 62.00,
-	'Cl-': 35.4,
+    'SO42-': 96.06,
+    'NO3-': 62.00,
+    'Cl-': 35.4,
 
-	'Ca2+': 40.078,
-	'K+': 39.098,
-	'Mg2+': 24.305,
-	'Na+': 22.99,
-	'NH4+': 18.04,
+    'Ca2+': 40.078,
+    'K+': 39.098,
+    'Mg2+': 24.305,
+    'Na+': 22.99,
+    'NH4+': 18.04,
 }
 
 
 # ug -> umol
 def _ug2umol(_df):
-	_pt_ky = list(set(_df.keys()) & set(_mol_wg.keys()))
-	_gas_ky = list(set(_df.keys()) - set(_mol_wg.keys()) - set(['temp', 'RH']))
+    _pt_ky = list(set(_df.keys()) & set(_mol_wg.keys()))
+    _gas_ky = list(set(_df.keys()) - set(_mol_wg.keys()) - set(['temp', 'RH']))
 
-	_par = (_df['temp'].to_frame() + 273.15) * .082
+    _par = (_df['temp'].to_frame() + 273.15) * .082
 
-	_df_pt = concat([(_df[_ky] / _mol_wg[_ky]).copy() for _ky in _pt_ky], axis=1)
-	_df_gas = _df[_gas_ky] / _par.values
+    _df_pt = concat([(_df[_ky] / _mol_wg[_ky]).copy() for _ky in _pt_ky], axis=1)
+    _df_gas = _df[_gas_ky] / _par.values
 
-	return concat([_df_pt, _df_gas], axis=1)
+    return concat([_df_pt, _df_gas], axis=1)

AeroViz/dataProcess/Chemistry/_isoropia.py

@@ -1,99 +1,103 @@
+from pathlib import Path
 from subprocess import Popen, PIPE
-from pandas import date_range, concat, DataFrame, to_numeric, read_csv
-from ._calculate import _ug2umol
+
 import numpy as np
+from pandas import concat, DataFrame, to_numeric, read_csv
 
-from pathlib import Path
+from ._calculate import _ug2umol
+
+
+# TODO: fix isoropia2.exe can not run
 
 
 def _basic(df_che, path_out, nam_lst):
-	# parameter
-	df_all = concat(df_che, axis=1)
-	index = df_all.index.copy()
-	df_all.columns = nam_lst
+    # parameter
+    df_all = concat(df_che, axis=1)
+    index = df_all.index.copy()
+    df_all.columns = nam_lst
 
-	df_umol = _ug2umol(df_all)
+    df_umol = _ug2umol(df_all)
 
-	## output
-	## Na, SO4, NH3, NO3, Cl, Ca, K, Mg, RH, TEMP
-	df_input = DataFrame(index=index)
-	df_out = DataFrame(index=index)
+    ## output
+    ## Na, SO4, NH3, NO3, Cl, Ca, K, Mg, RH, TEMP
+    df_input = DataFrame(index=index)
+    df_out = DataFrame(index=index)
 
-	pth_input = path_out / '_temp_input.txt'
-	pth_output = path_out / '_temp_input.dat'
+    pth_input = path_out / '_temp_input.txt'
+    pth_output = path_out / '_temp_input.dat'
 
-	pth_input.unlink(missing_ok=True)
-	pth_output.unlink(missing_ok=True)
+    pth_input.unlink(missing_ok=True)
+    pth_output.unlink(missing_ok=True)
 
-	## header
-	_header = 'Input units (0=umol/m3, 1=ug/m3)\n' + '0\n\n' + \
-			  'Problem type (0=forward, 1=reverse); Phase state (0=solid+liquid, 1=metastable)\n' + '0, 1\n\n' + \
-			  'NH4-SO4 system case\n'
+    ## header
+    _header = 'Input units (0=umol/m3, 1=ug/m3)\n' + '0\n\n' + \
+              'Problem type (0=forward, 1=reverse); Phase state (0=solid+liquid, 1=metastable)\n' + '0, 1\n\n' + \
+              'NH4-SO4 system case\n'
 
-	## software
-	path_iso = Path(__file__).parent / 'isrpia2.exe'
+    ## software
+    path_iso = Path(__file__).parent / 'isrpia2.exe'
 
-	# make input file and output temp input (without index)
-	## NH3
-	df_input['NH3'] = df_umol['NH4+'].fillna(0).copy() + df_umol['NH3']
+    # make input file and output temp input (without index)
+    ## NH3
+    df_input['NH3'] = df_umol['NH4+'].fillna(0).copy() + df_umol['NH3']
 
-	## NO3
-	df_input['NO3'] = df_umol['HNO3'].fillna(0).copy() + df_umol['NO3-']
+    ## NO3
+    df_input['NO3'] = df_umol['HNO3'].fillna(0).copy() + df_umol['NO3-']
 
-	## Cl
-	df_input['Cl'] = df_umol['HCl'].fillna(0).copy() + df_umol['Cl-']
+    ## Cl
+    df_input['Cl'] = df_umol['HCl'].fillna(0).copy() + df_umol['Cl-']
 
-	## temp, RH
-	df_input['RH'] = df_all['RH'] / 100
-	df_input['TEMP'] = df_all['temp'] + 273.15
+    ## temp, RH
+    df_input['RH'] = df_all['RH'] / 100
+    df_input['TEMP'] = df_all['temp'] + 273.15
 
-	df_input[['Na', 'SO4', 'Ca', 'K', 'Mg']] = df_umol[['Na+', 'SO42-', 'Ca2+', 'K+', 'Mg2+']].copy()
+    df_input[['Na', 'SO4', 'Ca', 'K', 'Mg']] = df_umol[['Na+', 'SO42-', 'Ca2+', 'K+', 'Mg2+']].copy()
 
-	df_input = df_input[['Na', 'SO4', 'NH3', 'NO3', 'Cl', 'Ca', 'K', 'Mg', 'RH', 'TEMP']].fillna('-').copy()
+    df_input = df_input[['Na', 'SO4', 'NH3', 'NO3', 'Cl', 'Ca', 'K', 'Mg', 'RH', 'TEMP']].fillna('-').copy()
 
-	## output the input data
-	df_input.to_csv(pth_input, index=False)
-	with (pth_input).open('r+', encoding='utf-8', errors='ignore') as _f:
-		_cont = _f.read()
-		_f.seek(0)
+    ## output the input data
+    df_input.to_csv(pth_input, index=False)
+    with (pth_input).open('r+', encoding='utf-8', errors='ignore') as _f:
+        _cont = _f.read()
+        _f.seek(0)
 
-		_f.write(_header)
-		_f.write(_cont)
+        _f.write(_header)
+        _f.write(_cont)
 
-	# use ISOROPIA2
-	run = Popen([path_iso], stdin=PIPE, stdout=PIPE, stderr=PIPE)
-	scrn_res, run_res = run.communicate(input=str(pth_input.resolve()).encode())
+    # use ISOROPIA2
+    run = Popen([path_iso], stdin=PIPE, stdout=PIPE, stderr=PIPE)
+    scrn_res, run_res = run.communicate(input=str(pth_input.resolve()).encode())
 
-	# read dat file and transform to the normal name
-	cond_idx = df_all[['SO42-', 'NH4+', 'NO3-']].dropna().index
+    # read dat file and transform to the normal name
+    cond_idx = df_all[['SO42-', 'NH4+', 'NO3-']].dropna().index
 
-	with (pth_output).open('r', encoding='utf-8', errors='ignore') as f:
-		df_res = read_csv(f, delimiter='\s+').apply(to_numeric, errors='coerce').set_index(index)
+    with pth_output.open('r', encoding='utf-8', errors='ignore') as f:
+        df_res = read_csv(f, delimiter=r'\s+').apply(to_numeric, errors='coerce').set_index(index)
 
-	df_out['H'] = df_res['HLIQ'] / (df_res['WATER'] / 1000)
+    df_out['H'] = df_res['HLIQ'] / (df_res['WATER'] / 1000)
 
-	df_out.loc[cond_idx, 'pH'] = -np.log10(df_out['H'].loc[cond_idx])
-	df_out['pH'] = df_out['pH'].where((df_all['RH'] <= 95) & (df_all['RH'] >= 20))
+    df_out.loc[cond_idx, 'pH'] = -np.log10(df_out['H'].loc[cond_idx])
+    df_out['pH'] = df_out['pH'].where((df_all['RH'] <= 95) & (df_all['RH'] >= 20))
 
-	cond_idx = df_out['pH'].dropna().index
-	df_out.loc[cond_idx, 'ALWC'] = df_res['WATER'].loc[cond_idx]
+    cond_idx = df_out['pH'].dropna().index
+    df_out.loc[cond_idx, 'ALWC'] = df_res['WATER'].loc[cond_idx]
 
-	df_out[['NH3', 'HNO3', 'HCl', 'NH4+', 'NO3-', 'Cl-']] = df_res[
-		['GNH3', 'GHNO3', 'GHCL', 'NH4AER', 'NO3AER', 'CLAER']]
+    df_out[['NH3', 'HNO3', 'HCl', 'NH4+', 'NO3-', 'Cl-']] = df_res[
+        ['GNH3', 'GHNO3', 'GHCL', 'NH4AER', 'NO3AER', 'CLAER']]
 
-	# calculate partition
-	# df_out['epls_NO3-'] = df_umol['NO3-'] / (df_umol['NO3-'] + df_umol['HNO3'])
-	# df_out['epls_NH4+'] = df_umol['NH4+'] / (df_umol['NH4+'] + df_umol['NH3'])
-	# df_out['epls_Cl-']  = df_umol['Cl-'] / (df_umol['Cl-'] + df_umol['HCl'])
+    # calculate partition
+    # df_out['epls_NO3-'] = df_umol['NO3-'] / (df_umol['NO3-'] + df_umol['HNO3'])
+    # df_out['epls_NH4+'] = df_umol['NH4+'] / (df_umol['NH4+'] + df_umol['NH3'])
+    # df_out['epls_Cl-']  = df_umol['Cl-'] / (df_umol['Cl-'] + df_umol['HCl'])
 
-	# remove _temp file (input and output)
-	pth_input.unlink(missing_ok=True)
-	pth_output.unlink(missing_ok=True)
+    # remove _temp file (input and output)
+    pth_input.unlink(missing_ok=True)
+    pth_output.unlink(missing_ok=True)
 
-	# output input and output
-	out = {
-		'input': df_input,
-		'output': df_out,
-	}
+    # output input and output
+    out = {
+        'input': df_input,
+        'output': df_out,
+    }
 
-	return out
+    return out