AeroViz 0.1.21__py3-none-any.whl

AeroViz/dataProcess/SizeDistr/merge/_merge_v4.py

@@ -0,0 +1,422 @@
+# from ContainerHandle.dataProcess.config import _union_index
+
+import warnings
+from datetime import datetime as dtm
+from functools import partial
+from multiprocessing import Pool, cpu_count
+
+import numpy as np
+from pandas import DataFrame, concat, DatetimeIndex
+# from scipy.interpolate import interp1d
+from scipy.interpolate import UnivariateSpline as unvpline, interp1d
+
+warnings.filterwarnings("ignore")
+
+__all__ = ['_merge_SMPS_APS']
+
+
+def _powerlaw_fit(_coeA, _coeB, _aps, _idx, _factor):
+    # breakpoint()
+
+    _smps_fit_df = _coeA * (_aps.keys().values / _factor) ** _coeB
+    return DataFrame(((_smps_fit_df.copy() - _aps.copy()) ** 2).sum(axis=1), columns=[_idx])
+
+
+## Calculate S2
+## 1. SMPS and APS power law fitting
+## 2. shift factor from 0.5 ~ 3
+## 3. calculate S2
+## return : S2
+# def _S2_calculate_dN(_smps, _aps):
+def _powerlaw_fit_dN(_smps, _aps, _alg_type):
+    print(f"\t\t\t{dtm.now().strftime('%m/%d %X')} : \033[92moverlap range fitting : {_alg_type}\033[0m")
+
+    ## overlap fitting
+    ## parmeter
+    _dt_indx = _smps.index
+
+    ## use SMPS data apply power law fitting
+    ## y = Ax^B, A = e**coefa, B = coefb, x = logx, y = logy
+    ## ref : http://mathworld.wolfram.com/LeastSquaresFittingPowerLaw.html
+    ## power law fit to SMPS num conc at upper bins to log curve
+
+    ## coefficient A, B
+    _smps_qc_cond = ((_smps != 0) & np.isfinite(_smps))
+    _smps_qc = _smps.where(_smps_qc_cond)
+
+    _size = _smps_qc_cond.sum(axis=1)
+    _size = _size.where(_size != 0.).copy()
+
+    _logx, _logy = np.log(_smps_qc.keys()._data.astype(float)), np.log(_smps_qc)
+    _x, _y, _xy, _xx = _logx.sum(), _logy.sum(axis=1), (_logx * _logy).sum(axis=1), (_logx ** 2).sum()
+
+    _coeB = ((_size * _xy - _x * _y) / (_size * _xx - _x ** 2.))
+    _coeA = np.exp((_y - _coeB * _x) / _size).values.reshape(-1, 1)
+    _coeB = _coeB.values.reshape(-1, 1)
+
+    ## rebuild shift smps data by coe. A, B
+    ## x_shift = (y_ori/A)**(1/B)
+    _aps_shift_x = (_aps / _coeA) ** (1 / _coeB)
+    _aps_shift_x = _aps_shift_x.where(np.isfinite(_aps_shift_x))
+
+    ## the least squares of diameter
+    ## the shift factor which the closest to 1
+    _shift_val = np.arange(0.3, 3.05, .05) ** .5
+    # _shift_val = np.arange(0.9, 1.805, .005)**.5
+
+    _shift_factor = DataFrame(columns=range(_shift_val.size), index=_aps_shift_x.index)
+    _shift_factor.loc[:, :] = _shift_val
+
+    # _dropna_idx = _shift_factor.dropna(how='all').index.copy()
+    _dropna_idx = _aps_shift_x.dropna(how='all').index.copy()
+
+    ## use the target function to get the similar aps and smps bin
+    ## S2 = sum( (smps_fit_line(dia) - aps(dia*shift_factor) )**2 )
+    ## assumption : the same diameter between smps and aps should get the same conc.
+
+    ## be sure they art in log value
+    _S2 = DataFrame(index=_aps_shift_x.index)
+    _dia_table = DataFrame(np.full(_aps_shift_x.shape, _aps_shift_x.keys()),
+                           columns=_aps_shift_x.keys(), index=_aps_shift_x.index)
+
+    pool = Pool(cpu_count())
+
+    _S2 = pool.starmap(partial(_powerlaw_fit, _coeA, _coeB, _aps), list(enumerate(_shift_val)))
+
+    pool.close()
+    pool.join()
+
+    S2 = concat(_S2, axis=1)[np.arange(_shift_val.size)]
+    # S2 /= S2.max(axis=1).to_frame().values
+
+    shift_factor_dN = DataFrame(
+        _shift_factor.loc[_dropna_idx].values[range(len(_dropna_idx)), S2.loc[_dropna_idx].idxmin(axis=1).values],
+        index=_dropna_idx).reindex(_dt_indx).astype(float)
+
+    shift_factor_dN = shift_factor_dN.mask((shift_factor_dN ** 2 < 0.6) | (shift_factor_dN ** 2 > 2.6))
+
+    return shift_factor_dN
+
+
+def _corr_fc(_aps_dia, _smps_dia, _smps_dn, _aps_dn, _smooth, _idx, _sh):
+    ds_fc = lambda _dt: _dt * _dt.index ** 2 * np.pi
+    dv_fc = lambda _dt: _dt * _dt.index ** 3 * np.pi / 6
+
+    _aps_sh = _aps_dia / _sh
+    _aps_sh_inp = _aps_sh.where((_aps_sh >= 500) & (_aps_sh <= 1500.)).copy()
+    _aps_sh_corr = _aps_sh.where((_aps_sh >= _smps_dia[-1]) & (_aps_sh <= 1500.)).copy()
+
+    corr_x = np.append(_smps_dia, _aps_sh_corr.dropna())
+
+    input_x = np.append(_smps_dia, _aps_sh_inp.dropna())
+    input_y = concat([_smps_dn, _aps_dn.iloc[:, ~np.isnan(_aps_sh_inp)]], axis=1)
+    input_y.columns = input_x
+
+    input_x.sort()
+    input_y = input_y[input_x]
+    corr_y = input_y[corr_x]
+
+    S2_lst = []
+    for (_tm, _inp_y_dn), (_tm, _cor_y_dn) in zip(input_y.dropna(how='all').iterrows(),
+                                                  corr_y.dropna(how='all').iterrows()):
+        ## corr(spec_data, spec_spline)
+        _spl_dt = [unvpline(input_x, _inp_y, s=_smooth)(corr_x) for _inp_y in
+                   [_inp_y_dn, ds_fc(_inp_y_dn), dv_fc(_inp_y_dn)]]
+        _cor_dt = [_cor_y_dn, ds_fc(_cor_y_dn), dv_fc(_cor_y_dn)]
+
+        _cor_all = sum([np.corrcoef(_cor, _spl)[0, 1] for _cor, _spl in zip(_cor_dt, _spl_dt)])
+
+        S2_lst.append((3 - _cor_all) / 3)
+
+    return DataFrame(S2_lst, columns=[_idx])
+
+
+# def _S2_calculate_dSdV(_smps, _aps, _shft_dn, _S2, smps_ori, aps_ori):
+# def _S2_calculate_dSdV(_smps, _aps, smps_ori=None):
+def _corr_with_dNdSdV(_smps, _aps, _alg_type):
+    print(f"\t\t\t{dtm.now().strftime('%m/%d %X')} : \033[92moverlap range correlation : {_alg_type}\033[0m")
+
+    _smps_dia = _smps.keys().astype(float)
+    _aps_dia = _aps.keys().astype(float)
+
+    all_index = _smps.index.copy()
+    qc_index = DatetimeIndex(set(_smps.dropna(how='all').index) & set(_aps.dropna(how='all').index)).sort_values()
+
+    _smps_dn = _smps.loc[qc_index].copy()
+    _aps_dn = _aps.loc[qc_index].copy()
+
+    ds_fc = lambda _dt: _dt * _dt.index ** 2 * np.pi
+    dv_fc = lambda _dt: _dt * _dt.index ** 3 * np.pi / 6
+
+    _std_bin = np.geomspace(11.8, 19810, 230)
+    _merge_bin = _std_bin[(_std_bin >= _smps_dia[-1]) & (_std_bin < 1500)].copy()
+
+    _smooth = 50
+
+    _shift_val = np.arange(0.5, 2.605, .005) ** .5
+    _shift_val = np.arange(0.9, 2.01, .01) ** .5
+    _shift_val = np.arange(0.9, 2.65, .05) ** .5
+
+    ## spline fitting with shift aps and smps
+    pool = Pool(cpu_count())
+
+    S2_lst = pool.starmap(partial(_corr_fc, _aps_dia, _smps_dia, _smps_dn, _aps_dn, _smooth),
+                          list(enumerate(_shift_val)))
+
+    pool.close()
+    pool.join()
+
+    S2_table = concat(S2_lst, axis=1).set_index(qc_index)[np.arange(_shift_val.size)].astype(float).dropna()
+    min_shft = S2_table.idxmin(axis=1).values
+
+    return DataFrame(_shift_val[min_shft.astype(int)], index=S2_table.index).astype(float).reindex(_smps.index)
+
+
+## Create merge data
+##  shift all smps bin and remove the aps bin which smaller than the latest old smps bin
+## Return : merge bins, merge data, density
+def _merge_data(_smps_ori, _aps_ori, _shift_ori, _smps_lb, _aps_hb, _shift_mode, _alg_type):
+    print(f"\t\t\t{dtm.now().strftime('%m/%d %X')} : \033[92mcreate merge data : {_shift_mode} and {_alg_type}\033[0m")
+
+    _ori_idx = _smps_ori.index.copy()
+    # _merge_idx = _smps_ori.loc[_aps_ori.dropna(how='all').index].dropna(how='all').index
+
+    _corr_aps_cond = _aps_ori.keys() < 700
+    _corr_aps_ky = _aps_ori.keys()[_corr_aps_cond]
+
+    _merge_idx = DatetimeIndex(set(_smps_ori.dropna(how='all').index) & set(_aps_ori.dropna(how='all').index) &
+                               set(_shift_ori.dropna(how='all').index)).sort_values()
+
+    _smps, _aps, _shift = _smps_ori.loc[_merge_idx], _aps_ori.loc[_merge_idx], _shift_ori.loc[_merge_idx].values
+
+    ## parameter
+    _smps_key, _aps_key = _smps.keys()._data.astype(float), _aps.keys()._data.astype(float)
+
+    _cntr = 1000
+    _bin_lb = _smps_key[-1]
+
+    ## make shift bins
+    _smps_bin = np.full(_smps.shape, _smps_key)
+    _aps_bin = np.full(_aps.shape, _aps_key)
+
+    _std_bin = np.geomspace(_smps_key[0], _aps_key[-1], 230)
+    _std_bin_merge = _std_bin[(_std_bin < _cntr) & (_std_bin > _bin_lb)]
+    _std_bin_inte1 = _std_bin[_std_bin <= _bin_lb]
+    _std_bin_inte2 = _std_bin[_std_bin >= _cntr]
+
+    if _shift_mode == 'mobility':
+        _aps_bin /= _shift
+
+    elif _shift_mode == 'aerodynamic':
+        _smps_bin *= _shift
+
+    ## merge
+    _merge_lst, _corr_lst = [], []
+    for _bin_smps, _bin_aps, _dt_smps, _dt_aps, _sh in zip(_smps_bin, _aps_bin, _smps.values, _aps.values, _shift):
+        ## keep complete smps bins and data
+        ## remove the aps bin data lower than smps bin
+        _condi = _bin_aps >= _bin_smps[-1]
+
+        _merge_bin = np.hstack((_bin_smps, _bin_aps[_condi]))
+        _merge_dt = np.hstack((_dt_smps, _dt_aps[_condi]))
+
+        _merge_fit_loc = (_merge_bin < 1500) & (_merge_bin > _smps_lb)
+
+        ## coeA and coeB
+        _unvpl_fc = unvpline(np.log(_merge_bin[_merge_fit_loc]), np.log(_merge_dt[_merge_fit_loc]), s=50)
+        _inte_fc = interp1d(_merge_bin, _merge_dt, kind='linear', fill_value='extrapolate')
+
+        _merge_dt_fit = np.hstack((_inte_fc(_std_bin_inte1), np.exp(_unvpl_fc(np.log(_std_bin_merge))),
+                                   _inte_fc(_std_bin_inte2)))
+
+        _merge_lst.append(_merge_dt_fit)
+        _corr_lst.append(interp1d(_std_bin, _merge_dt_fit)(_bin_aps[_corr_aps_cond]))
+
+    _df_merge = DataFrame(_merge_lst, columns=_std_bin, index=_merge_idx)
+    _df_merge = _df_merge.mask(_df_merge < 0)
+
+    _df_corr = DataFrame(_corr_lst, columns=_corr_aps_ky, index=_merge_idx) / _aps_ori.loc[_merge_idx, _corr_aps_ky]
+
+    ## process output df
+    ## average, align with index
+    def _out_df(*_df_arg, **_df_kwarg):
+        _df = DataFrame(*_df_arg, **_df_kwarg).reindex(_ori_idx)
+        _df.index.name = 'time'
+        return _df
+
+    return _out_df(_df_merge), _out_df(_shift_ori ** 2), _out_df(_df_corr)
+
+
+def _fitness_func(psd, rho, pm25):
+    psd_pm25 = psd[psd.keys()[psd.keys().values <= 2500]] * np.diff(np.log10(psd.keys())).mean()
+    rho_pm25 = pm25 / (psd_pm25 * np.pi * psd_pm25.keys().values ** 3 / 6 * 1e-9).sum(axis=1, min_count=1)
+
+    return (rho['density'] - rho_pm25) ** 2
+
+
+def merge_SMPS_APS(df_smps, df_aps, df_pm25, aps_unit='um', smps_overlap_lowbound=500, aps_fit_highbound=1000,
+                   dndsdv_alg=True, times_range=(0.8, 1.25, .05)):
+    # merge_data, merge_data_dn, merge_data_dsdv, merge_data_cor_dn, density, density_dn, density_dsdv, density_cor_dn = [DataFrame([np.nan])] * 8
+
+    ## set to the same units
+    smps, aps = df_smps.copy(), df_aps.copy()
+    smps.columns = smps.keys().to_numpy(float)
+    aps.columns = aps.keys().to_numpy(float)
+
+    if aps_unit == 'um':
+        aps.columns = aps.keys() * 1e3
+
+    fitness_typ = dict(dn=[], cor_dn=[], dndsdv=[], cor_dndsdv=[])
+    shift_typ = dict(dn=[], cor_dn=[], dndsdv=[], cor_dndsdv=[])
+    oth_typ = dict()
+
+    times_ary = np.arange(*times_range).round(4)
+    # times_ary = np.arange(*(0.8, 0.9, .05)).round(4)
+
+    for times in times_ary:
+
+        print(f"\t\t{dtm.now().strftime('%m/%d %X')} : \033[92mSMPS times value : {times}\033[0m")
+
+        aps_input = aps.copy()
+        aps_over = aps_input.loc[:, (aps.keys() > 700) & (aps.keys() < 1000)].copy()
+
+        smps_input = (smps * times).copy()
+        smps_over = smps_input[smps.keys()[smps.keys() > 500]].copy()
+
+        for _count in range(2):
+
+            ## shift data calculate
+            ## original
+            if _count == 0:
+                alg_type = 'dn'
+                shift = _powerlaw_fit_dN(smps_over, aps_over, alg_type)
+
+                if dndsdv_alg:
+                    shift_dsdv = _corr_with_dNdSdV(smps_over, aps_over, 'dndsdv').mask(shift.isna())
+
+            ## aps correct
+            else:
+                alg_type = 'cor_dndsdv'
+                shift_cor = _powerlaw_fit_dN(smps_over, aps_over, 'cor_dn')
+
+                if dndsdv_alg:
+                    shift = _corr_with_dNdSdV(smps_over, aps_over, alg_type).mask(shift_cor.isna())
+
+            ## merge aps and smps
+            ## 1. power law fit (dn) -> return dn data and aps correct factor
+            ## 2. correaltion with dn, ds, dv -> return corrected dn_ds_dv data
+            if (alg_type == 'dn') | dndsdv_alg:
+                merge_arg = (smps_input, aps_input, shift, smps_overlap_lowbound, aps_fit_highbound)
+
+                merge_data, density, _corr = _merge_data(*merge_arg, 'mobility', _alg_type=alg_type)
+                density.columns = ['density']
+
+                fitness_typ[alg_type].append(_fitness_func(merge_data, density, df_pm25))
+                shift_typ[alg_type].append(shift[0])
+
+            ## without aps correct
+            if _count == 0:
+                ## merge aps and smps
+                ## dn_ds_dv data
+                if dndsdv_alg:
+                    alg_type = 'dndsdv'
+                    merge_arg = (smps_input, aps_input, shift_dsdv, smps_overlap_lowbound, aps_fit_highbound)
+
+                    merge_data_dsdv, density_dsdv, _ = _merge_data(*merge_arg, 'mobility', _alg_type=alg_type)
+                    density_dsdv.columns = ['density']
+
+                    fitness_typ[alg_type].append(_fitness_func(merge_data_dsdv, density_dsdv, df_pm25))
+                    shift_typ[alg_type].append(shift_dsdv[0])
+
+                ## dn data
+                merge_data_dn, density_dn = merge_data.copy(), density.copy()
+
+                ## correct aps data
+                corr = _corr.resample('1d').mean().reindex(smps.index).ffill()
+                corr = corr.mask(corr < 1, 1)
+
+                aps_input.loc[:, corr.keys()] *= corr
+                aps_over = aps_input.copy()
+
+
+            ## with aps correct
+            else:
+                ## merge aps and smps
+                ## dn data
+                alg_type = 'cor_dn'
+                merge_arg = (smps_input, aps_input, shift_cor, smps_overlap_lowbound, aps_fit_highbound)
+
+                merge_data_cor_dn, density_cor_dn, _ = _merge_data(*merge_arg, 'mobility', _alg_type=alg_type)
+                density_cor_dn.columns = ['density']
+
+                fitness_typ[alg_type].append(_fitness_func(merge_data_cor_dn, density_cor_dn, df_pm25))
+                shift_typ[alg_type].append(shift_cor[0])
+
+    ## get times value and shift value
+    out_dic = {}
+    for (_typ, _lst), (_typ, _shft) in zip(fitness_typ.items(), shift_typ.items()):
+        oth_typ[_typ] = None
+        if len(_lst) == 0: continue
+
+        df_times_min = concat(_lst, axis=1, keys=range(len(_lst))).idxmin(axis=1).dropna().astype(int)
+        df_shift = concat(_shft, axis=1, keys=times_ary.tolist()).loc[df_times_min.index].values[
+            range(len(df_times_min.index)), df_times_min.values]
+
+        oth_typ[_typ] = DataFrame(np.array([df_shift, times_ary[df_times_min.values]]).T,
+                                  index=df_times_min.index, columns=['shift', 'times']).reindex(smps.index)
+
+    ## re-calculate merge_data
+    alg_type = ['dn', 'cor_dn', 'dndsdv', 'cor_dndsdv'] if dndsdv_alg else ['dn', 'cor_dn']
+
+    out_dic = {}
+    den_lst, times_lst = [], []
+    for _typ in alg_type:
+        print(f"\t\t{dtm.now().strftime('%m/%d %X')} : \033[92mre-caculate merge data with times: {_typ}\033[0m")
+        typ = oth_typ[_typ]
+        smps_input = smps.copy() * typ['times'].to_frame().values
+
+        corr_typ = corr if 'cor' in _typ else 1
+        aps_input = aps.copy()
+        aps_input.loc[:, corr.keys()] *= corr_typ
+
+        merge_arg = (smps_input, aps_input, typ['shift'].to_frame(), smps_overlap_lowbound, aps_fit_highbound)
+
+        merge_data, density, _corr = _merge_data(*merge_arg, 'mobility', _alg_type=_typ)
+        density.columns = ['density']
+
+        out_dic[f'data_{_typ}'] = merge_data
+
+        den_lst.append(density)
+        times_lst.append(typ['times'])
+
+    out_rho = concat(den_lst, axis=1)
+    out_times = concat(times_lst, axis=1)
+    out_rho.columns = alg_type
+    out_times.columns = alg_type
+
+    # breakpoint()
+
+    ## out
+    out_dic.update(dict(density=out_rho, times=out_times))
+
+    # out_dic = {
+    # 'data_cor_dndsdv' : merge_data,
+    # 'data_dn'     : merge_data_dn,
+    # 'data_dndsdv' : merge_data_dsdv,
+    # 'data_cor_dn' : merge_data_cor_dn,
+
+    # 'density' : out_rho,
+
+    # 'data_all_aer' : merge_data_aer,
+
+    # 'density_cor_dndsdv' : density,
+    # 'density_dn'   		 : density_dn,
+    # 'density_dndsdv'	 : density_dsdv,
+    # 'density_cor_dn'	 : density_cor_dn,
+    # }
+
+    ## process data
+    for _nam, _df in out_dic.items():
+        out_dic[_nam] = _df.reindex(smps.index).copy()
+
+    return out_dic

AeroViz/dataProcess/SizeDistr/prop.py

@@ -0,0 +1,62 @@
+import numpy as np
+from numpy import exp, log
+from scipy.signal import find_peaks
+
+
+def geometric(dp: np.ndarray,
+              dist: np.ndarray
+              ) -> tuple[float, float]:
+    """ Calculate the geometric mean and standard deviation. """
+
+    _gmd = (((dist * log(dp)).sum()) / dist.sum())
+
+    logdp_mesh, gmd_mesh = np.meshgrid(log(dp), _gmd)
+    _gsd = ((((logdp_mesh - gmd_mesh) ** 2) * dist).sum() / dist.sum()) ** .5
+
+    return exp(_gmd), exp(_gsd)
+
+
+def contribution(dp: np.ndarray,
+                 dist: np.ndarray
+                 ) -> tuple[float, float, float]:
+    """ Calculate the relative contribution of each mode. """
+
+    ultra = dist[(dp >= 11.8) & (dp < 100)].sum() / dist.sum()
+    accum = dist[(dp >= 100) & (dp < 1000)].sum() / dist.sum()
+    coars = dist[(dp >= 1000) & (dp < 2500)].sum() / dist.sum()
+
+    return ultra, accum, coars
+
+
+def mode(dp: np.ndarray,
+         dist: np.ndarray
+         ) -> np.ndarray:
+    """ Find three peak mode in distribution. """
+
+    min_value = np.array([dist.min()])
+    mode, _ = find_peaks(np.concatenate([min_value, dist, min_value]), distance=len(dist) - 1)
+
+    return dp[mode - 1]
+
+
+def properties(dist,
+               dp: np.ndarray,
+               dlogdp: np.ndarray,
+               weighting: str
+               ) -> dict:
+    """ for apply """
+    dist = np.array(dist)
+
+    gmd, gsd = geometric(dp, dist)
+    ultra, accum, coarse = contribution(dp, dist)
+    peak = mode(dp, dist)
+
+    return {key: round(value, 3) for key, value in
+            {f'total_{weighting}': (dist * dlogdp).sum(),
+             f'GMD_{weighting}': gmd,
+             f'GSD_{weighting}': gsd,
+             f'mode_{weighting}': peak[0],
+             f'ultra_{weighting}': ultra,
+             f'accum_{weighting}': accum,
+             f'coarse_{weighting}': coarse}
+            .items()}

AeroViz/dataProcess/VOC/__init__.py

@@ -0,0 +1,14 @@
+from ..core import Writer, run_process
+
+__all__ = ['VOC']
+
+
+class VOC(Writer):
+
+    @run_process('VOC - basic', 'voc_basic')
+    def VOC_basic(self, _df_voc):
+        from ._potential_par import _basic
+
+        out = _basic(_df_voc)
+
+        return self, out

AeroViz/dataProcess/VOC/_potential_par.py

@@ -0,0 +1,108 @@
+from pathlib import Path
+
+from pandas import DataFrame, read_json, concat
+
+
+def _basic(_df_voc):
+    with (Path(__file__).parent / 'support_voc.json').open('r', encoding='utf-8', errors='ignore') as f:
+        _par = read_json(f)
+
+    # parameter
+    _keys = _df_voc.keys()
+
+    invalid_keys = [key for key in _df_voc.keys() if key not in set(_par.keys())]
+
+    if invalid_keys:
+        raise KeyError(f'\n\t\t{invalid_keys} are not supported keys.'
+                       f'\n\t\tPlease check the\033[91m AeroViz/docs/instruments/voc.md\033[0m file to use the correct name.')
+
+    _MW, _MIR, _SOAP, _KOH = _par.loc['MW', :], _par.loc['MIR', :], _par.loc['SOAP', :], _par.loc['KOH', :]
+
+    _voc_classify = {
+        'alkane_total': ['Ethane', 'Propane', 'Isobutane', 'n-Butane', 'Isopentane', 'n-Pentane', 'n-Hexane',
+                         'n-Heptane', 'n-Octane', 'n-Nonane', 'n-Decane', 'n-Undecane', 'n-Dodecane',
+
+                         'Cyclopentane', 'Methylcyclopentane', 'Cyclohexane', 'Methylcyclohexane',
+
+                         '2,2-Dimethylbutane', '2,3-Dimethylbutane', '2-Methylpentane', '3-Methylpentane',
+                         '2,4-Dimethylpentane', '2-Methylhexane', '3-Methylhexane',
+                         '2,2,4-Trimethylpentane', '2,3,4-Trimethylpentane', '2-Methylheptane', '3-Methylheptane'],
+
+        'alkene_total': ['Ethylene', 'Propylene', '1-Butene', 't-2-Butene', 'cis-2-Butene', '1-Pentene', 't-2-Pentene',
+                         'cis-2-Pentene', '1-Hexene', 'Isoprene', '1.3-Butadiene', '1-Octene'],
+
+        'aromatic_total': ['Benzene', 'Toluene', 'Ethylbenzene', 'm/p-Xylene', 'o-Xylene', 'Styrene',
+                           'Isopropylbenzene',
+                           'n-Propylbenzene', 'm-Ethyltoluene', 'p-Ethyltoluene', 'o-Ethyltoluene', 'm-Diethylbenzene',
+                           'p-Diethylbenzene', '1,2,4-Trimethylbenzene', '1,2,3-Trimethylbenzene',
+                           '1,3,5-Trimethylbenzene', ],
+
+        'alkyne_total': ['Acetylene'],
+
+        'OVOC': ['Acetaldehyde', 'Ethanol', 'Acetone', 'IPA', 'Ethyl Acetate', 'Butyl Acetate'],
+
+        'ClVOC': ['VCM', 'TCE', 'PCE', '1.4-DCB', '1.2-DCB'],
+    }
+
+    _df_MW = (_df_voc * _MW).copy()
+    _df_dic = {
+        'Conc': _df_voc.copy(),
+        'OFP': _df_MW / 48 * _MIR,
+        'SOAP': _df_MW / 24.5 * _SOAP / 100 * 0.054,
+        'LOH': _df_MW / 24.5 / _MW * 0.602 * _KOH,
+    }
+
+    # calculate
+    _out = {}
+    for _nam, _df in _df_dic.items():
+
+        _df_out = DataFrame(index=_df_voc.index)
+
+        for _voc_nam, _voc_lst in _voc_classify.items():
+            _lst = list(set(_keys) & set(_voc_lst))
+            if len(_lst) == 0:
+                continue
+
+            _df_out = concat([_df[_lst], _df_out], axis=1)
+
+            _df_out[_voc_nam] = _df[_lst].sum(axis=1, min_count=1)
+
+        _df_out['Total'] = _df.sum(axis=1, min_count=1)
+
+        _out[_nam] = _df_out
+
+    return _out
+
+
+def markdown_table_to_dataframe():
+    import pandas as pd
+    from pathlib import Path
+
+    # support_voc.md
+    with open(Path(__file__).parent / 'support_voc.md', 'r', encoding='utf-8') as file:
+        markdown_content = file.read()
+
+    # 將內容分割成行
+    lines = markdown_content.strip().split('\n')
+
+    # 提取表頭
+    headers = [col.strip() for col in lines[0].split('|')[1:-1]]
+
+    # 解析數據行
+    data = []
+    for line in lines[2:]:  # 跳過表頭和分隔行
+        columns = [col.strip() for col in line.split('|')[1:-1]]
+        data.append(columns)
+
+    # 創建 DataFrame
+    df = pd.DataFrame(data, columns=headers)
+
+    # 轉換數據類型
+    numeric_columns = ['MIR', 'MW', 'SOAP', 'KOH']
+    for col in numeric_columns:
+        df[col] = pd.to_numeric(df[col], errors='coerce')
+    df = df.set_index('Species').T
+
+    df = df.iloc[:, :-7]
+
+    df.to_json(Path(__file__).parent / 'support_voc.json', indent=4)