Update Activity 9
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				|  | @ -1,20 +1,19 @@ | |||
| { | ||||
|  "cells": [ | ||||
|   { | ||||
|    "attachments": {}, | ||||
|    "cell_type": "markdown", | ||||
|    "id": "aa43e0e7-0c18-4750-9e2b-3a48f106d2ca", | ||||
|    "metadata": {}, | ||||
|    "source": [ | ||||
|     "# Activity 9: Comparing simulation and experiment with R-factors" | ||||
|     "# Activity 9: Comparing simulation and experiment with R-factors\n", | ||||
|     "In order to extract precise crystallographic information from electronic spectroscopy, we need to compare MsSpec calculations with experimental results and adjust the modelling parameters to simulate the experiment as accurately as possible.\n", | ||||
|     "\n", | ||||
|     "*R-factors* (reliability factors) are commonly used for this task. In the following example, we will see how MsSpec can extract the adsorption geometry of molecule.\n", | ||||
|     "\n", | ||||
|     "## The unusual tilt of CO molecule on Fe(001)\n", | ||||
|     "The carbon monoxide molecule can be adsorbed onto a Fe(001) surface in the hollow site. It was experimentally demonstrated that the CO molecule is tilted by 55$\\pm$2° in <100> azimuthal directions. The molecule is bonded to the Fe surface by the carbon atom and the adsorption height was estimated to be $\\sim$ 0.6 Å." | ||||
|    ] | ||||
|   }, | ||||
|   { | ||||
|    "cell_type": "code", | ||||
|    "execution_count": null, | ||||
|    "id": "b9b32bbf-7635-4e14-b246-468f2e74bb17", | ||||
|    "metadata": {}, | ||||
|    "outputs": [], | ||||
|    "source": [] | ||||
|   } | ||||
|  ], | ||||
|  "metadata": { | ||||
|  |  | |||
|  | @ -0,0 +1,73 @@ | |||
| from ase import Atoms | ||||
| from ase.build import add_adsorbate, bulk | ||||
| 
 | ||||
| from msspec.calculator import MSSPEC, RFACTOR | ||||
| from msspec.utils import hemispherical_cluster | ||||
| 
 | ||||
| import numpy as np | ||||
| 
 | ||||
| 
 | ||||
| def create_cluster(height=0.8, theta=45, phi=0, bond_length=1.15): | ||||
|     iron = bulk('Fe', cubic=True) | ||||
|     cluster = hemispherical_cluster(iron, diameter=5, planes=2, emitter_plane=1) | ||||
| 
 | ||||
|     t = np.radians(theta) | ||||
|     p = np.radians(phi) | ||||
| 
 | ||||
|     z = bond_length * np.cos(t) | ||||
|     x = bond_length * np.sin(t) * np.cos(p) | ||||
|     y = bond_length * np.sin(t) * np.sin(p) | ||||
|     CO=Atoms('CO',positions=[(0,0,0),(x,y,z)]) | ||||
| 
 | ||||
|     add_adsorbate(cluster,CO, height=height) | ||||
| 
 | ||||
|     # Store some information in the cluster object | ||||
|     cluster.info.update(adsorbate={'theta': theta, 'phi': phi, 'height': height, 'bond_length': bond_length}) | ||||
|     return cluster | ||||
| 
 | ||||
| 
 | ||||
| def compute_polar_scan(cluster): | ||||
|     calc = MSSPEC(spectroscopy='PED', algorithm='expansion') | ||||
|     calc.set_atoms(cluster) | ||||
| 
 | ||||
|     calc.calculation_parameters.scattering_order = 1 | ||||
| 
 | ||||
|     polar_angles = np.arange(-5, 85, 0.5) | ||||
|     # set the Carbon as absorber and compute the polar scan | ||||
|     cluster.absorber = cluster.get_chemical_symbols().index('C') | ||||
|     data = calc.get_theta_scan(level='1s', theta=polar_angles, kinetic_energy=1202) | ||||
| 
 | ||||
|     return data | ||||
| 
 | ||||
| 
 | ||||
| 
 | ||||
| 
 | ||||
| results    = [] | ||||
| parameters = {'theta': [], 'phi': [], 'height': []} | ||||
| for theta in np.arange(53, 57, 1): | ||||
|     for phi in [0, 30, 45]: | ||||
|         for height in np.arange(0.1, 0.8, 0.1): | ||||
|             # Create the cluster | ||||
|             cluster = create_cluster(theta=theta, phi=phi, height=height, | ||||
|                                     bond_length=1.157) | ||||
|             # Compute | ||||
|             data = compute_polar_scan(cluster) | ||||
| 
 | ||||
|             # Update lists of results and parameters | ||||
|             results.append(data[-1].theta.copy()) | ||||
|             results.append(data[-1].cross_section.copy()) | ||||
|             parameters['theta'].append(theta) | ||||
|             parameters['phi'].append(phi) | ||||
|             parameters['height'].append(height) | ||||
| 
 | ||||
| 
 | ||||
| # Load the experimental data | ||||
| exp_data = np.loadtxt('experimental_data.txt') | ||||
| 
 | ||||
| # Create an R-Factor calculator | ||||
| rfc = RFACTOR() | ||||
| rfc.set_references(exp_data[:,0], exp_data[:,1]) | ||||
| 
 | ||||
| # Perform the R-Factor analysis | ||||
| data = rfc.run(*results, **parameters) | ||||
| data.view() | ||||
|  | @ -0,0 +1,76 @@ | |||
| from ase import Atoms | ||||
| from ase.build import add_adsorbate, bulk | ||||
| 
 | ||||
| from msspec.calculator import MSSPEC, RFACTOR | ||||
| from msspec.utils import hemispherical_cluster | ||||
| 
 | ||||
| import numpy as np | ||||
| 
 | ||||
| 
 | ||||
| def create_cluster(height=0.8, theta=45, phi=0, bond_length=1.15): | ||||
|     iron = bulk('Fe', cubic=True) | ||||
|     cluster = hemispherical_cluster(iron, diameter=5, planes=2, emitter_plane=1) | ||||
| 
 | ||||
|     t = np.radians(theta) | ||||
|     p = np.radians(phi) | ||||
| 
 | ||||
|     z = bond_length * np.cos(t) | ||||
|     x = bond_length * np.sin(t) * np.cos(p) | ||||
|     y = bond_length * np.sin(t) * np.sin(p) | ||||
|     CO=Atoms('CO',positions=[(0,0,0),(x,y,z)]) | ||||
| 
 | ||||
|     add_adsorbate(cluster,CO, height=height) | ||||
| 
 | ||||
|     # Store some information in the cluster object | ||||
|     cluster.info.update(adsorbate={'theta': theta, 'phi': phi, 'height': height, 'bond_length': bond_length}) | ||||
|     return cluster | ||||
| 
 | ||||
| 
 | ||||
| def compute_polar_scan(cluster): | ||||
|     calc = MSSPEC(spectroscopy='PED', algorithm='expansion') | ||||
|     calc.set_atoms(cluster) | ||||
| 
 | ||||
|     calc.calculation_parameters.scattering_order = 1 | ||||
| 
 | ||||
|     polar_angles = np.arange(-5, 85, 0.5) | ||||
|     # set the Carbon as absorber and compute the polar scan | ||||
|     cluster.absorber = cluster.get_chemical_symbols().index('C') | ||||
|     data = calc.get_theta_scan(level='1s', theta=polar_angles, kinetic_energy=1202) | ||||
| 
 | ||||
|     return data | ||||
| 
 | ||||
| 
 | ||||
| 
 | ||||
| 
 | ||||
| results    = [] | ||||
| parameters = {'theta': [], 'phi': [], 'height': []} | ||||
| for theta in np.arange(53, 57, 1): | ||||
|     for phi in [0, 45]: | ||||
|         for height in np.arange(0.1, 0.8, 0.1): | ||||
|             cs = [] | ||||
|             for _phi in [phi, phi+90, phi+180, phi+270]: | ||||
|                 # Create the cluster | ||||
|                 cluster = create_cluster(theta=theta, phi=phi, height=height, | ||||
|                                         bond_length=1.157) | ||||
|                 # Compute | ||||
|                 data = compute_polar_scan(cluster) | ||||
|                 cs.append(data[-1].cross_section.copy()) | ||||
| 
 | ||||
|             # Update lists of results and parameters | ||||
|             results.append(data[-1].theta.copy()) | ||||
|             results.append(np.sum(cs, axis=0)) | ||||
|             parameters['theta'].append(theta) | ||||
|             parameters['phi'].append(phi) | ||||
|             parameters['height'].append(height) | ||||
| 
 | ||||
| 
 | ||||
| # Load the experimental data | ||||
| exp_data = np.loadtxt('experimental_data.txt') | ||||
| 
 | ||||
| # Create an R-Factor calculator | ||||
| rfc = RFACTOR() | ||||
| rfc.set_references(exp_data[:,0], exp_data[:,1]) | ||||
| 
 | ||||
| # Perform the R-Factor analysis | ||||
| data = rfc.run(*results, **parameters) | ||||
| data.view() | ||||
|  | @ -0,0 +1,250 @@ | |||
| # Polar angle (°)         C1s/O1s Signal (a.u.) | ||||
| -5.163000000000000256e+00 3.649999999999999911e-01 | ||||
| -4.858999999999990216e+00 3.639999999999999902e-01 | ||||
| -4.556000000000000050e+00 3.629999999999999893e-01 | ||||
| -4.251999999999999780e+00 3.619999999999999885e-01 | ||||
| -3.947999999999990184e+00 3.609999999999999876e-01 | ||||
| -3.677999999999999936e+00 3.599999999999999867e-01 | ||||
| -3.375000000000000000e+00 3.579999999999999849e-01 | ||||
| -3.104999999999999982e+00 3.569999999999999840e-01 | ||||
| -2.766999999999999904e+00 3.559999999999999831e-01 | ||||
| -2.462999999999989864e+00 3.549999999999999822e-01 | ||||
| -2.193000000000000060e+00 3.539999999999999813e-01 | ||||
| -1.991000000000000103e+00 3.529999999999999805e-01 | ||||
| -1.754999999999999893e+00 3.519999999999999796e-01 | ||||
| -1.519000000000009898e+00 3.509999999999999787e-01 | ||||
| -1.215000000000000080e+00 3.499999999999999778e-01 | ||||
| -1.012000000000000011e+00 3.499999999999999778e-01 | ||||
| -6.749999999999970468e-01 3.499999999999999778e-01 | ||||
| -4.389999999999930069e-01 3.509999999999999787e-01 | ||||
| -1.009999999999989934e-01 3.519999999999999796e-01 | ||||
| 2.019999999999979867e-01 3.529999999999999805e-01 | ||||
| 5.739999999999979563e-01 3.529999999999999805e-01 | ||||
| 9.789999999999989821e-01 3.539999999999999813e-01 | ||||
| 1.417000000000000037e+00 3.539999999999999813e-01 | ||||
| 1.956999999999990081e+00 3.539999999999999813e-01 | ||||
| 2.327999999999999847e+00 3.549999999999999822e-01 | ||||
| 2.564999999999999947e+00 3.559999999999999831e-01 | ||||
| 2.766999999999999904e+00 3.579999999999999849e-01 | ||||
| 2.970000000000000195e+00 3.589999999999999858e-01 | ||||
| 3.071000000000000174e+00 3.609999999999999876e-01 | ||||
| 3.239999999999989999e+00 3.619999999999999885e-01 | ||||
| 3.407999999999999918e+00 3.629999999999999893e-01 | ||||
| 3.576999999999999957e+00 3.649999999999999911e-01 | ||||
| 3.712000000000000188e+00 3.659999999999999920e-01 | ||||
| 3.813000000000000167e+00 3.679999999999999938e-01 | ||||
| 3.880999999999999783e+00 3.679999999999999938e-01 | ||||
| 3.947999999999990184e+00 3.699999999999999956e-01 | ||||
| 4.352999999999989988e+00 3.699999999999999956e-01 | ||||
| 4.758000000000000007e+00 3.709999999999999964e-01 | ||||
| 5.197000000000000064e+00 3.709999999999999964e-01 | ||||
| 5.602000000000000313e+00 3.719999999999999973e-01 | ||||
| 5.972999999999999865e+00 3.719999999999999973e-01 | ||||
| 6.243000000000000327e+00 3.729999999999999982e-01 | ||||
| 6.479000000000000092e+00 3.739999999999999991e-01 | ||||
| 6.682000000000000384e+00 3.750000000000000000e-01 | ||||
| 6.884000000000000341e+00 3.760000000000000009e-01 | ||||
| 6.985000000000000320e+00 3.770000000000000018e-01 | ||||
| 7.187999999999999723e+00 3.780000000000000027e-01 | ||||
| 7.322999999999989740e+00 3.790000000000000036e-01 | ||||
| 7.389999999999999680e+00 3.810000000000000053e-01 | ||||
| 7.491999999999999993e+00 3.820000000000000062e-01 | ||||
| 7.727999999999989988e+00 3.830000000000000071e-01 | ||||
| 8.064999999999999503e+00 3.830000000000000071e-01 | ||||
| 8.403000000000009351e+00 3.840000000000000080e-01 | ||||
| 8.808000000000010488e+00 3.840000000000000080e-01 | ||||
| 9.212999999999990308e+00 3.850000000000000089e-01 | ||||
| 9.618000000000000327e+00 3.840000000000000080e-01 | ||||
| 9.921000000000010033e+00 3.830000000000000071e-01 | ||||
| 1.025900000000000034e+01 3.830000000000000071e-01 | ||||
| 1.063000000000000078e+01 3.820000000000000062e-01 | ||||
| 1.103500000000000014e+01 3.810000000000000053e-01 | ||||
| 1.143999999999999950e+01 3.800000000000000044e-01 | ||||
| 1.174399999999999977e+01 3.800000000000000044e-01 | ||||
| 1.208099999999999952e+01 3.790000000000000036e-01 | ||||
| 1.245199999999999996e+01 3.790000000000000036e-01 | ||||
| 1.289100000000000001e+01 3.790000000000000036e-01 | ||||
| 1.316099999999999959e+01 3.800000000000000044e-01 | ||||
| 1.343099999999999916e+01 3.810000000000000053e-01 | ||||
| 1.366699999999999982e+01 3.820000000000000062e-01 | ||||
| 1.400399999999999956e+01 3.830000000000000071e-01 | ||||
| 1.430799999999999983e+01 3.850000000000000089e-01 | ||||
| 1.454400000000000048e+01 3.860000000000000098e-01 | ||||
| 1.471299999999999919e+01 3.870000000000000107e-01 | ||||
| 1.508399999999999963e+01 3.870000000000000107e-01 | ||||
| 1.562400000000000055e+01 3.870000000000000107e-01 | ||||
| 1.612999999999999901e+01 3.880000000000000115e-01 | ||||
| 1.663700000000000045e+01 3.880000000000000115e-01 | ||||
| 1.704200000000000159e+01 3.880000000000000115e-01 | ||||
| 1.744699999999999918e+01 3.880000000000000115e-01 | ||||
| 1.791900000000000048e+01 3.890000000000000124e-01 | ||||
| 1.825600000000000023e+01 3.900000000000000133e-01 | ||||
| 1.855999999999999872e+01 3.900000000000000133e-01 | ||||
| 1.889799999999999969e+01 3.920000000000000151e-01 | ||||
| 1.910000000000000142e+01 3.930000000000000160e-01 | ||||
| 1.933599999999999852e+01 3.930000000000000160e-01 | ||||
| 1.953900000000000148e+01 3.950000000000000178e-01 | ||||
| 1.987600000000000122e+01 3.960000000000000187e-01 | ||||
| 2.011199999999999832e+01 3.950000000000000178e-01 | ||||
| 2.048400000000000176e+01 3.940000000000000169e-01 | ||||
| 2.078699999999999903e+01 3.930000000000000160e-01 | ||||
| 2.112500000000000000e+01 3.920000000000000151e-01 | ||||
| 2.149599999999999866e+01 3.910000000000000142e-01 | ||||
| 2.190099999999999980e+01 3.900000000000000133e-01 | ||||
| 2.227199999999999847e+01 3.890000000000000124e-01 | ||||
| 2.264300000000000068e+01 3.880000000000000115e-01 | ||||
| 2.314999999999999858e+01 3.870000000000000107e-01 | ||||
| 2.362199999999999989e+01 3.860000000000000098e-01 | ||||
| 2.409400000000000119e+01 3.850000000000000089e-01 | ||||
| 2.460099999999999909e+01 3.850000000000000089e-01 | ||||
| 2.520799999999999841e+01 3.840000000000000080e-01 | ||||
| 2.578200000000000003e+01 3.830000000000000071e-01 | ||||
| 2.632199999999999918e+01 3.820000000000000062e-01 | ||||
| 2.692899999999999849e+01 3.820000000000000062e-01 | ||||
| 2.746900000000000119e+01 3.810000000000000053e-01 | ||||
| 2.810999999999999943e+01 3.800000000000000044e-01 | ||||
| 2.871799999999999997e+01 3.800000000000000044e-01 | ||||
| 2.922400000000000020e+01 3.790000000000000036e-01 | ||||
| 2.973000000000000043e+01 3.790000000000000036e-01 | ||||
| 3.016900000000000048e+01 3.780000000000000027e-01 | ||||
| 3.067500000000000071e+01 3.770000000000000018e-01 | ||||
| 3.128200000000000003e+01 3.770000000000000018e-01 | ||||
| 3.155199999999999960e+01 3.780000000000000027e-01 | ||||
| 3.195700000000000074e+01 3.800000000000000044e-01 | ||||
| 3.219299999999999784e+01 3.820000000000000062e-01 | ||||
| 3.246300000000000097e+01 3.840000000000000080e-01 | ||||
| 3.280100000000000193e+01 3.850000000000000089e-01 | ||||
| 3.324000000000000199e+01 3.870000000000000107e-01 | ||||
| 3.354299999999999926e+01 3.890000000000000124e-01 | ||||
| 3.388100000000000023e+01 3.900000000000000133e-01 | ||||
| 3.431900000000000261e+01 3.920000000000000151e-01 | ||||
| 3.469100000000000250e+01 3.940000000000000169e-01 | ||||
| 3.502799999999999869e+01 3.960000000000000187e-01 | ||||
| 3.546699999999999875e+01 3.970000000000000195e-01 | ||||
| 3.580400000000000205e+01 3.990000000000000213e-01 | ||||
| 3.610799999999999699e+01 4.010000000000000231e-01 | ||||
| 3.637800000000000011e+01 4.030000000000000249e-01 | ||||
| 3.661399999999999721e+01 4.040000000000000258e-01 | ||||
| 3.691799999999999926e+01 4.060000000000000275e-01 | ||||
| 3.722200000000000131e+01 4.079999999999999738e-01 | ||||
| 3.742399999999999949e+01 4.099999999999999756e-01 | ||||
| 3.762700000000000244e+01 4.109999999999999765e-01 | ||||
| 3.779500000000000171e+01 4.119999999999999774e-01 | ||||
| 3.803099999999999881e+01 4.139999999999999791e-01 | ||||
| 3.830100000000000193e+01 4.149999999999999800e-01 | ||||
| 3.850399999999999778e+01 4.159999999999999809e-01 | ||||
| 3.867300000000000182e+01 4.179999999999999827e-01 | ||||
| 3.890899999999999892e+01 4.189999999999999836e-01 | ||||
| 3.921300000000000097e+01 4.199999999999999845e-01 | ||||
| 3.938100000000000023e+01 4.209999999999999853e-01 | ||||
| 3.965100000000000335e+01 4.229999999999999871e-01 | ||||
| 3.988799999999999812e+01 4.239999999999999880e-01 | ||||
| 4.009000000000000341e+01 4.249999999999999889e-01 | ||||
| 4.039399999999999835e+01 4.259999999999999898e-01 | ||||
| 4.073100000000000165e+01 4.269999999999999907e-01 | ||||
| 4.103499999999999659e+01 4.279999999999999916e-01 | ||||
| 4.130499999999999972e+01 4.299999999999999933e-01 | ||||
| 4.160900000000000176e+01 4.309999999999999942e-01 | ||||
| 4.187899999999999778e+01 4.319999999999999951e-01 | ||||
| 4.221600000000000108e+01 4.329999999999999960e-01 | ||||
| 4.248599999999999710e+01 4.329999999999999960e-01 | ||||
| 4.275600000000000023e+01 4.339999999999999969e-01 | ||||
| 4.295799999999999841e+01 4.349999999999999978e-01 | ||||
| 4.322800000000000153e+01 4.359999999999999987e-01 | ||||
| 4.346500000000000341e+01 4.380000000000000004e-01 | ||||
| 4.376800000000000068e+01 4.390000000000000013e-01 | ||||
| 4.403799999999999670e+01 4.400000000000000022e-01 | ||||
| 4.424099999999999966e+01 4.420000000000000040e-01 | ||||
| 4.444299999999999784e+01 4.430000000000000049e-01 | ||||
| 4.461200000000000188e+01 4.440000000000000058e-01 | ||||
| 4.478099999999999881e+01 4.450000000000000067e-01 | ||||
| 4.494899999999999807e+01 4.460000000000000075e-01 | ||||
| 4.521900000000000119e+01 4.470000000000000084e-01 | ||||
| 4.545600000000000307e+01 4.480000000000000093e-01 | ||||
| 4.582699999999999818e+01 4.480000000000000093e-01 | ||||
| 4.619800000000000040e+01 4.480000000000000093e-01 | ||||
| 4.650200000000000244e+01 4.490000000000000102e-01 | ||||
| 4.683899999999999864e+01 4.490000000000000102e-01 | ||||
| 4.724399999999999977e+01 4.500000000000000111e-01 | ||||
| 4.751400000000000290e+01 4.510000000000000120e-01 | ||||
| 4.775000000000000000e+01 4.510000000000000120e-01 | ||||
| 4.808800000000000097e+01 4.520000000000000129e-01 | ||||
| 4.852600000000000335e+01 4.530000000000000138e-01 | ||||
| 4.886399999999999721e+01 4.540000000000000147e-01 | ||||
| 4.923499999999999943e+01 4.540000000000000147e-01 | ||||
| 4.964000000000000057e+01 4.540000000000000147e-01 | ||||
| 5.001100000000000279e+01 4.530000000000000138e-01 | ||||
| 5.034899999999999665e+01 4.530000000000000138e-01 | ||||
| 5.071999999999999886e+01 4.540000000000000147e-01 | ||||
| 5.102400000000000091e+01 4.540000000000000147e-01 | ||||
| 5.136099999999999710e+01 4.550000000000000155e-01 | ||||
| 5.173199999999999932e+01 4.560000000000000164e-01 | ||||
| 5.210300000000000153e+01 4.570000000000000173e-01 | ||||
| 5.254200000000000159e+01 4.580000000000000182e-01 | ||||
| 5.281199999999999761e+01 4.580000000000000182e-01 | ||||
| 5.314999999999999858e+01 4.580000000000000182e-01 | ||||
| 5.352100000000000080e+01 4.570000000000000173e-01 | ||||
| 5.382500000000000284e+01 4.570000000000000173e-01 | ||||
| 5.422899999999999920e+01 4.570000000000000173e-01 | ||||
| 5.466799999999999926e+01 4.570000000000000173e-01 | ||||
| 5.503900000000000148e+01 4.580000000000000182e-01 | ||||
| 5.541100000000000136e+01 4.580000000000000182e-01 | ||||
| 5.581600000000000250e+01 4.600000000000000200e-01 | ||||
| 5.618699999999999761e+01 4.600000000000000200e-01 | ||||
| 5.655799999999999983e+01 4.600000000000000200e-01 | ||||
| 5.696300000000000097e+01 4.600000000000000200e-01 | ||||
| 5.743500000000000227e+01 4.590000000000000191e-01 | ||||
| 5.794200000000000017e+01 4.590000000000000191e-01 | ||||
| 5.848100000000000165e+01 4.600000000000000200e-01 | ||||
| 5.912299999999999756e+01 4.600000000000000200e-01 | ||||
| 5.946000000000000085e+01 4.590000000000000191e-01 | ||||
| 5.986500000000000199e+01 4.590000000000000191e-01 | ||||
| 6.013499999999999801e+01 4.580000000000000182e-01 | ||||
| 6.040500000000000114e+01 4.560000000000000164e-01 | ||||
| 6.074199999999999733e+01 4.550000000000000155e-01 | ||||
| 6.107999999999999829e+01 4.540000000000000147e-01 | ||||
| 6.138400000000000034e+01 4.530000000000000138e-01 | ||||
| 6.185600000000000165e+01 4.520000000000000129e-01 | ||||
| 6.236200000000000188e+01 4.520000000000000129e-01 | ||||
| 6.283500000000000085e+01 4.520000000000000129e-01 | ||||
| 6.330700000000000216e+01 4.510000000000000120e-01 | ||||
| 6.371200000000000330e+01 4.500000000000000111e-01 | ||||
| 6.398199999999999932e+01 4.490000000000000102e-01 | ||||
| 6.428600000000000136e+01 4.480000000000000093e-01 | ||||
| 6.469100000000000250e+01 4.470000000000000084e-01 | ||||
| 6.496099999999999852e+01 4.450000000000000067e-01 | ||||
| 6.533199999999999363e+01 4.440000000000000058e-01 | ||||
| 6.566899999999999693e+01 4.420000000000000040e-01 | ||||
| 6.604000000000000625e+01 4.410000000000000031e-01 | ||||
| 6.634399999999999409e+01 4.400000000000000022e-01 | ||||
| 6.674899999999999523e+01 4.380000000000000004e-01 | ||||
| 6.712000000000000455e+01 4.369999999999999996e-01 | ||||
| 6.755899999999999750e+01 4.359999999999999987e-01 | ||||
| 6.806499999999999773e+01 4.349999999999999978e-01 | ||||
| 6.857099999999999795e+01 4.339999999999999969e-01 | ||||
| 6.897599999999999909e+01 4.329999999999999960e-01 | ||||
| 6.917900000000000205e+01 4.319999999999999951e-01 | ||||
| 6.958400000000000318e+01 4.299999999999999933e-01 | ||||
| 6.995499999999999829e+01 4.289999999999999925e-01 | ||||
| 7.035999999999999943e+01 4.269999999999999907e-01 | ||||
| 7.076500000000000057e+01 4.249999999999999889e-01 | ||||
| 7.117000000000000171e+01 4.229999999999999871e-01 | ||||
| 7.157500000000000284e+01 4.209999999999999853e-01 | ||||
| 7.194599999999999795e+01 4.189999999999999836e-01 | ||||
| 7.238500000000000512e+01 4.179999999999999827e-01 | ||||
| 7.299200000000000443e+01 4.169999999999999818e-01 | ||||
| 7.370099999999999341e+01 4.169999999999999818e-01 | ||||
| 7.430800000000000693e+01 4.159999999999999809e-01 | ||||
| 7.491599999999999682e+01 4.159999999999999809e-01 | ||||
| 7.545600000000000307e+01 4.139999999999999791e-01 | ||||
| 7.612999999999999545e+01 4.129999999999999782e-01 | ||||
| 7.670399999999999352e+01 4.109999999999999765e-01 | ||||
| 7.717700000000000671e+01 4.099999999999999756e-01 | ||||
| 7.771699999999999875e+01 4.099999999999999756e-01 | ||||
| 7.818899999999999295e+01 4.109999999999999765e-01 | ||||
| 7.886400000000000432e+01 4.129999999999999782e-01 | ||||
| 7.970799999999999841e+01 4.139999999999999791e-01 | ||||
| 8.055100000000000193e+01 4.159999999999999809e-01 | ||||
| 8.139499999999999602e+01 4.179999999999999827e-01 | ||||
| 8.220499999999999829e+01 4.209999999999999853e-01 | ||||
| 8.291299999999999670e+01 4.219999999999999862e-01 | ||||
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		Reference in New Issue