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testing different parameters
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@ -74,10 +74,10 @@ do
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"6439Å")
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initial_params="$refpsd_params -1.287e+00 -1.580e+00 -2.879e+00 -3.569e+00 -3.661e+00 -4.471e+00 -3.998e+00 -5.001e+00 -6.583e-01 -6.900e+00 -2.060e+00 -2.727e+00 -2.954e+00 -3.654e+00 -4.406e+00 -5.203e+00 1.448e-01 -1.004e-01 9.754e-01 1.140e+00 9.284e-01 1.116e+00 2.092e+00 8.634e-01"
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;;
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"4392Å")
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initial_params="$refpsd_params -5.0e-01 -1.0e+00 -2.7e+00 -3.7e+00 -4.5e+00 -5.5e+00 -6.5e+00 -7.5e+00 -2.515e-01 -6.156e-01 -1.924e+00 -2.417e+00 -3.053e+00 -6.570e+00 -3.450e+00 -6.333e+00 0.027 0.187189 0.39349 0.479216 0.405156 0.313996 0.486696 0.502917"
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#"4392Å")
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# initial_params="$refpsd_params -5.0e-01 -1.0e+00 -2.7e+00 -3.7e+00 -4.5e+00 -5.5e+00 -6.5e+00 -7.5e+00 -2.515e-01 -6.156e-01 -1.924e+00 -2.417e+00 -3.053e+00 -6.570e+00 -3.450e+00 -6.333e+00 0.027 0.187189 0.39349 0.479216 0.405156 0.313996 0.486696 0.502917"
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# old params initial_params="$refpsd_params -5.0e-01 -1.0e+00 -2.7e+00 -3.7e+00 -4.5e+00 -5.5e+00 -6.5e+00 -7.5e+00 -2.515e-01 -6.156e-01 -1.924e+00 -2.417e+00 -3.053e+00 -6.570e+00 -3.450e+00 -6.333e+00 7.408e-02 3.089e-01 5.057e-01 4.831e-01 5.779e-01 6.277e-01 4.823e-01 6.110e-01"
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;;
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#;;
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"3465Å")
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initial_params="$refpsd_params -3.178e-01 -7.537e-01 -2.402e+00 -2.624e+00 -3.413e+00 -3.834e+00 -1.236e+01 -1.071e+01 -1.376e-01 -4.256e-01 -1.794e+00 -2.123e+00 -2.817e+00 -3.029e+00 -4.139e+00 -7.000e+00 7.840e-02 3.388e-01 6.616e-01 1.349e-01 9.909e-01 8.538e-01 1.397e+00 6.412e-01"
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;;
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@ -93,9 +93,9 @@ do
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"2600Å")
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initial_params="$refpsd_params -2.417e-01 -7.027e-01 -1.998e+00 -2.387e+00 -2.912e+00 -4.026e+00 -1.069e+01 -9.716e+00 -9.867e-02 -4.150e-01 -1.587e+00 -1.963e+00 -2.539e+00 -3.274e+00 -3.460e+00 -6.742e+00 6.734e-02 1.353e-01 3.585e-01 1.587e-01 2.959e-01 1.111e-01 2.364e-01 7.463e-01"
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;;
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"1928Å")
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initial_params="$refpsd_params -1.648e-01 -4.974e-01 -1.686e+00 -1.897e+00 -2.600e+00 -2.801e+00 -3.814e+00 -9.888e+00 -6.101e-02 -3.020e-01 -1.433e+00 -1.756e+00 -2.485e+00 -2.799e+00 -3.317e+00 -7.000e+00 4.622e-02 1.473e-01 2.243e-01 1.606e-01 2.365e-01 1.484e-01 8.110e-01 9.689e-01"
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;;
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#"1928Å")
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# initial_params="$refpsd_params -1.648e-01 -4.974e-01 -1.686e+00 -1.897e+00 -2.600e+00 -2.801e+00 -3.814e+00 -9.888e+00 -6.101e-02 -3.020e-01 -1.433e+00 -1.756e+00 -2.485e+00 -2.799e+00 -3.317e+00 -7.000e+00 4.622e-02 1.473e-01 2.243e-01 1.606e-01 2.365e-01 1.484e-01 8.110e-01 9.689e-01"
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#;;
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"5404Å")
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initial_params="$refpsd_params -1.044e+00 -1.457e+00 -2.848e+00 -2.957e+00 -4.232e+00 -4.052e+00 -4.515e+00 -5.250e+00 -5.026e-01 -7.878e-01 -2.118e+00 -2.276e+00 -3.421e+00 -3.378e+00 -4.224e+00 -4.930e+00 9.142e-02 4.814e-01 8.550e-01 3.929e-01 3.975e-01 5.311e-01 -1.203e-01 -2.905e+00"
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;;
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