├── analysis_notebooks └── scripts │ ├── __init__.py │ ├── Cext_wave_dist.py │ ├── generate_dielectric.py │ ├── Cext_wave_dist_prot_sensor.py │ ├── Cext_wave.py │ ├── cext_wavelength_scanning.py │ └── generate_protein_dielectric.py ├── paper ├── convergence_analysis │ ├── __init__.py │ ├── data │ │ ├── 2K_resultspickle │ │ ├── 32K_resultspickle │ │ ├── 512_resultspickle │ │ └── 8K_resultspickle │ ├── convergence_bsa_sensor_R8_d=1_w=380.png │ └── convergence_helper.py ├── silver_spherical_NP_verification │ ├── __init__.py │ ├── silver_NP_verification.png │ ├── data │ │ ├── silver_sphere_R8nm_w370-400.txt │ │ ├── wave_water_diel_3700-4000.txt │ │ └── wave_silver_diel_3700-4000.txt │ └── verification_helper.py └── BSA_silver_NP_LSPR_response │ ├── figures │ ├── 2prot_1nm_x_R8nm.png │ ├── 2prot_1nm_y_R8nm.png │ └── 2prot_1nm_z_R8nm.png │ └── data │ ├── BSA_sensorR80_d=infty_ef0.0037.txt │ ├── BSA_sensorR80_2px_d=1_00_ef0.0037.txt │ ├── BSA_sensorR80_2py_d=1_00_ef0.0037.txt │ └── BSA_sensorR80_2pz_d=1_00_ef0.0037.txt ├── .gitattributes ├── data ├── convergence_tests.pickle ├── convergence_test_7sph.pickle ├── wave_cext_d_prot_sensor │ ├── test_join_sort │ │ ├── d1_tole-3 │ │ │ ├── BSA_sensorR125_d=infty_half.txt │ │ │ ├── BSA_sensorR125_d=1_dens1_half.txt │ │ │ ├── BSA_sensorR125_d=infty.txt │ │ │ ├── BSA_sensorR125_d=1_dens1.txt │ │ │ ├── BSA_sensorR125_d=infty_total.txt │ │ │ └── BSA_sensorR125_d=1_dens1_total.txt │ │ ├── BSA_sensorR80_d=0.5_2pz │ │ │ ├── BSA_sensorR80_d=infty_half_ef0.0037.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2pz_d=0.5_00_ef0.0037_half.txt │ │ │ ├── BSA_sensorR80_2pz_d=0.5_00_ef0.0037.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR80_2pz_d=0.5_00_ef0.0037_total.txt │ │ ├── BSA_sensorR80_d=1_2px │ │ │ ├── BSA_sensorR80_d=infty_half_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2px_d=1_00_half.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2px_d=1_00.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR80_2px_d=1_00_total.txt │ │ ├── BSA_sensorR80_d=1_2py │ │ │ ├── BSA_sensorR80_d=infty_half_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2py_d=1_00_half.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2py_d=1_00.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR80_2py_d=1_00_total.txt │ │ ├── BSA_sensorR80_d=1_2pz │ │ │ ├── BSA_sensorR80_d=infty_half_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2pz_d=1_00_ef0.0037_half.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2pz_d=1_00_ef0.0037.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR80_2pz_d=1_00_ef0.0037_total.txt │ │ ├── BSA_sensorR80_2pz_d=1_rot_45 │ │ │ ├── BSA_sensorR80_d=infty_half_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2pz_d=1_rot_45_half.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2pz_d=1_rot_45.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR80_2pz_d=1_rot_45_total.txt │ │ ├── BSA_sensorR80_2pz_d=1_rot_90 │ │ │ ├── BSA_sensorR80_d=infty_half_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2pz_d=1_rot_90_half.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2pz_d=1_rot_90.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR80_2pz_d=1_rot_90_total.txt │ │ ├── BSA_sensorR100_2p_ef0.0037 │ │ │ ├── BSA_sensorR100_d=infty_half_ef0.0037.txt │ │ │ ├── BSA_sensorR100_2prot_ef0.0037_half.txt │ │ │ ├── BSA_sensorR100_d=infty_ef0.0037.txt │ │ │ ├── BSA_sensorR100_2prot_ef0.0037.txt │ │ │ ├── BSA_sensorR100_d=infty_ef0.0037_total.txt │ │ │ ├── BSA_sensorR100_2prot_ef0.0037_total.txt │ │ │ └── merge_and_sort.ipynb │ │ ├── BSA_sensorR100_3p_ef0.0037 │ │ │ ├── BSA_sensorR100_d=infty_half_ef0.0037.txt │ │ │ ├── BSA_sensorR100_3prot_ef0.0037_half.txt │ │ │ ├── BSA_sensorR100_d=infty_ef0.0037.txt │ │ │ ├── BSA_sensorR100_3prot_ef0.0037.txt │ │ │ ├── BSA_sensorR100_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR100_3prot_ef0.0037_total.txt │ │ ├── BSA_sensorR80_2pz_d=1_tilt_30 │ │ │ ├── BSA_sensorR80_d=infty_half_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2pz_d=1_tilt_30_half.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2pz_d=1_tilt_30.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR80_2pz_d=1_tilt_30_total.txt │ │ ├── BSA_sensorR80_2pz_d=1_tilt_45 │ │ │ ├── BSA_sensorR80_d=infty_half_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2pz_d=1_tilt_45_half.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037.txt │ │ │ ├── BSA_sensorR80_2pz_d=1_tilt_45.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR80_2pz_d=1_tilt_45_total.txt │ │ ├── BSA_sensorR125_d=1_6030_ef0.0037 │ │ │ ├── BSA_sensorR125_d=infty_half_ef0.0037.txt │ │ │ ├── BSA_sensorR125_d=1_6030_ef0.0037_half.txt │ │ │ ├── BSA_sensorR125_d=infty_ef0.0037.txt │ │ │ ├── BSA_sensorR125_d=1_6030_ef0.0037.txt │ │ │ ├── BSA_sensorR125_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR125_d=1_6030_ef0.0037_total.txt │ │ ├── BSA_sensorR125_d=1_6030 │ │ │ ├── BSA_sensorR125_d=infty_6030.txt │ │ │ └── BSA_sensorR125_d=1_6030.txt │ │ ├── BSA_sensorR80_2pz_d=1_tilt_30_x │ │ │ ├── BSA_sensorR80_2pz_d=1_tilt_30_x_half.txt │ │ │ ├── BSA_sensorR80_2pz_d=1_tilt_30_x.txt │ │ │ ├── BSA_sensorR80_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR80_2pz_d=1_tilt_30_x_total.txt │ │ ├── BSA_sensorR125_d=1_6030_ef0.0037_3p │ │ │ ├── BSA_sensorR125_3prot_d=1_ef0.0037_half.txt │ │ │ ├── BSA_sensorR125_3prot_d=1_ef0.0037.txt │ │ │ ├── BSA_sensorR125_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR125_3prot_d=1_ef0.0037_total.txt │ │ ├── BSA_sensorR125_d=1_6030_ef0.0037_2pz │ │ │ ├── BSA_sensorR125_2pz_d=1_ef0.0037_half.txt │ │ │ ├── BSA_sensorR125_2pz_d=1_ef0.0037.txt │ │ │ ├── BSA_sensorR125_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR125_2pz_d=1_ef0.0037_total.txt │ │ ├── BSA_sensorR125_d=1_6030_ef0.0037_4p │ │ │ ├── BSA_sensorR125_4prot_d=1_00_ef0.0037_half.txt │ │ │ ├── BSA_sensorR125_4prot_d=1_00_ef0.0037.txt │ │ │ ├── BSA_sensorR125_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR125_4prot_d=1_00_ef0.0037_total.txt │ │ ├── BSA_sensorR125_3prot_d=1_00_ef0.0037 │ │ │ ├── BSA_sensorR125_3prot_d=1_00_ef0.0037_half.txt │ │ │ ├── BSA_sensorR125_3prot_d=1_00_ef0.0037.txt │ │ │ ├── BSA_sensorR125_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR125_3prot_d=1_00_ef0.0037_total.txt │ │ ├── BSA_sensorR125_d=1_6030_ef0.0037_2pz_00 │ │ │ ├── BSA_sensorR125_2pz_d=1_00_ef0.0037_half.txt │ │ │ ├── BSA_sensorR125_2pz_d=1_00_ef0.0037.txt │ │ │ ├── BSA_sensorR125_d=infty_ef0.0037_total.txt │ │ │ └── BSA_sensorR125_2pz_d=1_00_ef0.0037_total.txt │ │ ├── BSA_sensorR80_d=0.5_2pz_GOLD │ │ │ ├── GOLD_BSA_sensorR80_d=infty_ef0.0037.txt │ │ │ ├── GOLD_BSA_sensorR80_d=infty_half_ef0.0037.txt │ │ │ ├── GOLD_BSA_sensorR80_2pz_d=0.5_00_ef0.0037.txt │ │ │ ├── GOLD_BSA_sensorR80_2pz_d=0.5_00_ef0.0037_half.txt │ │ │ ├── GOLD_BSA_sensorR80_d=infty_ef0.0037_total.txt │ │ │ └── GOLD_BSA_sensorR80_2pz_d=0.5_00_ef0.0037_total.txt │ │ └── p=6 │ │ │ ├── BSA_sensorR125_d=infty_total.txt │ │ │ ├── BSA_sensorR125_d=1_total.txt │ │ │ ├── BSA_sensorR125_d=2_total.txt │ │ │ └── BSA_sensorR125_d=4_total.txt │ ├── wave_water_diel_ang_3822.5-3867.5-.5.txt │ ├── wave_prot_diel_3822.5-3867.5-.5.txt │ ├── wave_silver_diel_ang_3822.5-3867.5-.5.txt │ ├── wave_water_diel_ang_3820-3870-5.txt │ ├── wave_prot_diel_ang_3820-3870-5.txt │ ├── wave_silver_diel_ang_3820-3870-5.txt │ └── gold_data │ │ ├── wave_water_diel_ang_5170-5270-5.txt │ │ ├── wave_water_diel_ang_5172.5-5272.5-5.txt │ │ ├── wave_prot_diel_ang_5170-5270-5.txt │ │ ├── wave_prot_diel_ang_5172.5-5272.5-5.txt │ │ ├── wave_gold_diel_ang_5170-5270-5.txt │ │ └── wave_gold_diel_ang_5172.5-5272.5-5.txt ├── wave_cext_d │ ├── wave_cext_d_infty_silver.txt │ ├── multiple_sphere_d=1.txt │ ├── multiple_sphere_d=2.txt │ ├── multiple_sphere_d=4-x.txt │ ├── multiple_sphere_d=4.txt │ ├── multiple_sphere_d=0.txt │ ├── multiple_sphere_d=1-x.txt │ ├── multiple_sphere_d=2-x.txt │ ├── wave_water_diel.txt │ ├── wave_prot_diel.txt │ ├── wave_silver_diel.txt │ ├── zoom_gold │ │ ├── multiple_sphere_d=1_g_h.txt │ │ ├── wave_cext_d_infty_g_h.txt │ │ ├── multiple_sphere_d=2_g_h.txt │ │ └── multiple_sphere_d=4_g_h.txt │ ├── wave_water_diel_g_h.txt │ ├── wave_prot_diel_g_h.txt │ ├── wave_gold_diel_g_h.txt │ ├── wave_cext_d_infty_gold.txt │ ├── multiple_sphere_d=1gold.txt │ ├── multiple_sphere_d=2gold.txt │ └── multiple_sphere_d=4gold.txt ├── lambda_Cext_Cext_an_error_silver.txt ├── lambda_Cext_Cext_an_error_silver_8K.txt ├── lambda_Cext_Cext_an_error_gold.txt ├── lambda_Cext_Cext_an_error_gold_8K.txt └── lambda_Cext_Cext_an_error_silver_7.5.txt ├── reports ├── figures │ ├── cext_wave_Ag.png │ ├── cext_wave_Au.png │ ├── sphere_field.png │ ├── sphere_field_8nm.png │ ├── 2px_ef-0.0037_R8nm.png │ ├── 2py_ef-0.0037_R8nm.png │ ├── lspr_sensor_sketch.png │ ├── seven_sphere_sketch.png │ ├── sphereR8nm_2prot_z.png │ ├── 2pz_00_ef-0.0037_R8nm.png │ ├── 2pz_30_ef-0.0037_R8nm.png │ ├── 2pz_45_ef-0.0037_R8nm.png │ ├── protein_sphere_sketch.png │ ├── 2pz_30_x_ef-0.0037_R8nm.png │ ├── sphereR8nm_2prot_z_rot45.png │ ├── 2pz_d05_00_ef-0.0037_R8nm.png │ ├── 2pz_rot_45_ef-0.0037_R8nm.png │ ├── 2pz_rot_90_ef-0.0037_R8nm.png │ ├── Cext_convergence_mult_sph.png │ ├── Cext_convergence_sph_Ag_Au.png │ ├── Cext_wave_distance_silver.png │ ├── sphereR8nm_2prot_z_tilt30.png │ └── convergence_bsa_sensor_R25_d=1.png ├── README.md └── styles │ └── custom.css ├── README.md ├── .gitignore ├── gold_silver_water_raw-data ├── water_HQ72.txt ├── water_HQ72_ang.txt ├── gold_JC72.txt ├── silver_JC72.txt ├── gold_JC72_ang.txt ├── silver_JC72_ang.txt ├── gold_JC72_nm.txt └── silver_JC72_nm.txt └── LICENSE /analysis_notebooks/scripts/__init__.py: -------------------------------------------------------------------------------- 1 | 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-------------------------------------------------------------------------------- /README.md: -------------------------------------------------------------------------------- 1 | # pygbe_lspr 2 | 3 | This repository contains the first results obtained using the LSPR version of PyGBe. 4 | 5 | The main results are summarized in a set of jupyter notebooks under the folder `reports`. For 6 | further details of the analysis you can explore the `analysis_notebooks` folder. 7 | 8 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/d1_tole-3/BSA_sensorR125_d=infty_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3822.5 12861.15360090 3 | 3827.5 13997.17763046 4 | 3832.5 14848.47198488 5 | 3837.5 15273.35612548 6 | 3842.5 15190.77240113 7 | 3847.5 14614.46103646 8 | 3852.5 13647.76799100 9 | 3857.5 12442.41825172 10 | 3862.5 11143.25905528 11 | 3867.5 9862.84359153 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=0.5_2pz/BSA_sensorR80_d=infty_half_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3822.5 3370.87594751 3 | 3827.5 3668.78706243 4 | 3832.5 3892.13697109 5 | 3837.5 4003.76685666 6 | 3842.5 3982.38468066 7 | 3847.5 3831.54098419 8 | 3852.5 3578.29013765 9 | 3857.5 3262.39579750 10 | 3862.5 2921.84128247 11 | 3867.5 2586.15365804 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2px/BSA_sensorR80_d=infty_half_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3822.5 3370.87594751 3 | 3827.5 3668.78706243 4 | 3832.5 3892.13697109 5 | 3837.5 4003.76685666 6 | 3842.5 3982.38468066 7 | 3847.5 3831.54098419 8 | 3852.5 3578.29013765 9 | 3857.5 3262.39579750 10 | 3862.5 2921.84128247 11 | 3867.5 2586.15365804 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2py/BSA_sensorR80_d=infty_half_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3822.5 3370.87594751 3 | 3827.5 3668.78706243 4 | 3832.5 3892.13697109 5 | 3837.5 4003.76685666 6 | 3842.5 3982.38468066 7 | 3847.5 3831.54098419 8 | 3852.5 3578.29013765 9 | 3857.5 3262.39579750 10 | 3862.5 2921.84128247 11 | 3867.5 2586.15365804 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2pz/BSA_sensorR80_d=infty_half_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3822.5 3370.87594751 3 | 3827.5 3668.78706243 4 | 3832.5 3892.13697109 5 | 3837.5 4003.76685666 6 | 3842.5 3982.38468066 7 | 3847.5 3831.54098419 8 | 3852.5 3578.29013765 9 | 3857.5 3262.39579750 10 | 3862.5 2921.84128247 11 | 3867.5 2586.15365804 12 | -------------------------------------------------------------------------------- /.gitignore: -------------------------------------------------------------------------------- 1 | # IPython Notebook 2 | .ipynb_checkpoints 3 | 4 | #Ignore .pyc 5 | *.pyc 6 | 7 | #files/images in analysis notebooks 8 | analysis_notebooks/figures/ 9 | 10 | #ignore plot images 11 | paper/BSA_silver_NP_LSPR_response/*.png 12 | paper/BSA_silver_NP_LSPR_response/mesh_files/ 13 | 14 | #pdf figures 15 | *.pdf 16 | 17 | #nbgrader log 18 | *.nbgrader.log 19 | 20 | .DS_Store 21 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_rot_45/BSA_sensorR80_d=infty_half_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3822.5 3370.87594751 3 | 3827.5 3668.78706243 4 | 3832.5 3892.13697109 5 | 3837.5 4003.76685666 6 | 3842.5 3982.38468066 7 | 3847.5 3831.54098419 8 | 3852.5 3578.29013765 9 | 3857.5 3262.39579750 10 | 3862.5 2921.84128247 11 | 3867.5 2586.15365804 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_rot_90/BSA_sensorR80_d=infty_half_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3822.5 3370.87594751 3 | 3827.5 3668.78706243 4 | 3832.5 3892.13697109 5 | 3837.5 4003.76685666 6 | 3842.5 3982.38468066 7 | 3847.5 3831.54098419 8 | 3852.5 3578.29013765 9 | 3857.5 3262.39579750 10 | 3862.5 2921.84128247 11 | 3867.5 2586.15365804 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/d1_tole-3/BSA_sensorR125_d=1_dens1_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_d=1_dens1 2 | 3822.5 12365.85189422 3 | 3827.5 13535.10940625 4 | 3832.5 14476.60907260 5 | 3837.5 15046.39609144 6 | 3842.5 15142.22418733 7 | 3847.5 14744.01538708 8 | 3852.5 13923.23227159 9 | 3857.5 12814.64794380 10 | 3862.5 11562.78979495 11 | 3867.5 10290.83079539 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR100_2p_ef0.0037/BSA_sensorR100_d=infty_half_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3822.5 6583.77374601 3 | 3827.5 7165.62699253 4 | 3832.5 7601.84909961 5 | 3837.5 7819.86498036 6 | 3842.5 7778.09053219 7 | 3847.5 7483.46279169 8 | 3852.5 6988.82414548 9 | 3857.5 6371.83856817 10 | 3862.5 5706.69176860 11 | 3867.5 5051.05285164 12 | 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR100_3p_ef0.0037/BSA_sensorR100_d=infty_half_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3822.5 6583.77374601 3 | 3827.5 7165.62699253 4 | 3832.5 7601.84909961 5 | 3837.5 7819.86498036 6 | 3842.5 7778.09053219 7 | 3847.5 7483.46279169 8 | 3852.5 6988.82414548 9 | 3857.5 6371.83856817 10 | 3862.5 5706.69176860 11 | 3867.5 5051.05285164 12 | 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_30/BSA_sensorR80_d=infty_half_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3822.5 3370.87594751 3 | 3827.5 3668.78706243 4 | 3832.5 3892.13697109 5 | 3837.5 4003.76685666 6 | 3842.5 3982.38468066 7 | 3847.5 3831.54098419 8 | 3852.5 3578.29013765 9 | 3857.5 3262.39579750 10 | 3862.5 2921.84128247 11 | 3867.5 2586.15365804 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_45/BSA_sensorR80_d=infty_half_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3822.5 3370.87594751 3 | 3827.5 3668.78706243 4 | 3832.5 3892.13697109 5 | 3837.5 4003.76685666 6 | 3842.5 3982.38468066 7 | 3847.5 3831.54098419 8 | 3852.5 3578.29013765 9 | 3857.5 3262.39579750 10 | 3862.5 2921.84128247 11 | 3867.5 2586.15365804 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2px/BSA_sensorR80_2px_d=1_00_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2px_d=1_00 2 | 3822.5 3249.22974128 3 | 3827.5 3555.98236303 4 | 3832.5 3802.41799322 5 | 3837.5 3950.77032821 6 | 3842.5 3974.35909558 7 | 3847.5 3868.24389264 8 | 3852.5 3651.51056263 9 | 3857.5 3359.66367238 10 | 3862.5 3030.76483334 11 | 3867.5 2696.92681604 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2py/BSA_sensorR80_2py_d=1_00_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2py_d=1_00 2 | 3822.5 3263.96864533 3 | 3827.5 3570.38876382 4 | 3832.5 3814.98028838 5 | 3837.5 3959.87990521 6 | 3842.5 3978.85671972 7 | 3847.5 3867.81416037 8 | 3852.5 3646.76027484 9 | 3857.5 3351.78201274 10 | 3862.5 3021.05014268 11 | 3867.5 2686.51000316 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/d1_tole-3/BSA_sensorR125_d=infty.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 12235.14499123 3 | 3825.0 13455.16858527 4 | 3830.0 14468.20654379 5 | 3835.0 15121.04611794 6 | 3840.0 15296.97948969 7 | 3845.0 14959.29798211 8 | 3850.0 14171.55290674 9 | 3855.0 13065.50481287 10 | 3860.0 11795.62450880 11 | 3865.0 10494.80282703 12 | 3870.0 9253.56743436 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR100_2p_ef0.0037/BSA_sensorR100_2prot_ef0.0037_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR100_2prot 2 | 3822.5 5942.71613282 3 | 3827.5 6552.23171304 4 | 3832.5 7085.73291962 5 | 3837.5 7473.04899672 6 | 3842.5 7651.83547235 7 | 3847.5 7589.44075816 8 | 3852.5 7296.23192291 9 | 3857.5 6822.37695043 10 | 3862.5 6236.29673487 11 | 3867.5 5605.43700255 12 | 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR100_3p_ef0.0037/BSA_sensorR100_3prot_ef0.0037_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR100_3prot 2 | 3822.5 5762.32366837 3 | 3827.5 6378.61862941 4 | 3832.5 6942.09447088 5 | 3837.5 7386.79066082 6 | 3842.5 7647.13653987 7 | 3847.5 7678.61788627 8 | 3852.5 7474.52210397 9 | 3857.5 7070.21086665 10 | 3862.5 6526.99085295 11 | 3867.5 5913.01098987 12 | 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037/BSA_sensorR125_d=infty_half_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3822.5 12861.15359857 3 | 3827.5 13997.17762909 4 | 3832.5 14848.47198923 5 | 3837.5 15273.35612159 6 | 3842.5 15190.77240089 7 | 3847.5 14614.46103753 8 | 3852.5 13647.76798965 9 | 3857.5 12442.41825113 10 | 3862.5 11143.25905119 11 | 3867.5 9862.84358883 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2px/BSA_sensorR80_d=infty_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3825.0 3526.63812570 4 | 3830.0 3792.34920159 5 | 3835.0 3963.70963971 6 | 3840.0 4010.09400027 7 | 3845.0 3921.82871748 8 | 3850.0 3715.52629995 9 | 3855.0 3425.70348168 10 | 3860.0 3092.85612386 11 | 3865.0 2751.83956664 12 | 3870.0 2426.40773047 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2py/BSA_sensorR80_d=infty_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3825.0 3526.63812570 4 | 3830.0 3792.34920159 5 | 3835.0 3963.70963971 6 | 3840.0 4010.09400027 7 | 3845.0 3921.82871748 8 | 3850.0 3715.52629995 9 | 3855.0 3425.70348168 10 | 3860.0 3092.85612386 11 | 3865.0 2751.83956664 12 | 3870.0 2426.40773047 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2pz/BSA_sensorR80_2pz_d=1_00_ef0.0037_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_00 2 | 3822.5 2971.89760222 3 | 3827.5 3283.76028518 4 | 3832.5 3563.31771432 5 | 3837.5 3775.98238236 6 | 3842.5 3888.94987989 7 | 3847.5 3882.30571527 8 | 3852.5 3756.63297144 9 | 3857.5 3533.74425303 10 | 3862.5 3246.56112323 11 | 3867.5 2929.90325719 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2pz/BSA_sensorR80_d=infty_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3825.0 3526.63812570 4 | 3830.0 3792.34920159 5 | 3835.0 3963.70963971 6 | 3840.0 4010.09400027 7 | 3845.0 3921.82871748 8 | 3850.0 3715.52629995 9 | 3855.0 3425.70348168 10 | 3860.0 3092.85612386 11 | 3865.0 2751.83956664 12 | 3870.0 2426.40773047 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_rot_45/BSA_sensorR80_2pz_d=1_rot_45_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_rot_45 2 | 3822.5 3111.60376697 3 | 3827.5 3422.27093814 4 | 3832.5 3686.98997603 5 | 3837.5 3869.01079599 6 | 3842.5 3937.91661669 7 | 3847.5 3880.60872466 8 | 3852.5 3707.24082365 9 | 3857.5 3447.02939917 10 | 3862.5 3136.25643131 11 | 3867.5 2809.00630644 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_rot_90/BSA_sensorR80_2pz_d=1_rot_90_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_rot_90 2 | 3822.5 3139.50855820 3 | 3827.5 3449.05979488 4 | 3832.5 3709.70358773 5 | 3837.5 3884.52982102 6 | 3842.5 3943.76489942 7 | 3847.5 3876.11694073 8 | 3852.5 3693.44154662 9 | 3857.5 3426.46393728 10 | 3862.5 3112.00561238 11 | 3867.5 2783.51681945 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_30/BSA_sensorR80_2pz_d=1_tilt_30_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_tilt_30 2 | 3822.5 2971.52398287 3 | 3827.5 3283.40885209 4 | 3832.5 3563.07020659 5 | 3837.5 3775.91465666 6 | 3842.5 3889.08113354 7 | 3847.5 3882.62527393 8 | 3852.5 3757.07579097 9 | 3857.5 3534.26985914 10 | 3862.5 3247.09807042 11 | 3867.5 2930.36663070 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_45/BSA_sensorR80_2pz_d=1_tilt_45_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_tilt_45 2 | 3822.5 2969.30902772 3 | 3827.5 3281.28557593 4 | 3832.5 3561.21525983 5 | 3837.5 3774.55475433 6 | 3842.5 3888.47760244 7 | 3847.5 3882.84905983 8 | 3852.5 3758.23537296 9 | 3857.5 3535.98851054 10 | 3862.5 3249.29600861 11 | 3867.5 2932.71329196 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=0.5_2pz/BSA_sensorR80_d=infty_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3825.0 3526.63812570 4 | 3830.0 3792.34920159 5 | 3835.0 3963.70963971 6 | 3840.0 4010.09400027 7 | 3845.0 3921.82871748 8 | 3850.0 3715.52629995 9 | 3855.0 3425.70348168 10 | 3860.0 3092.85612386 11 | 3865.0 2751.83956664 12 | 3870.0 2426.40773047 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_rot_45/BSA_sensorR80_d=infty_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3825.0 3526.63812570 4 | 3830.0 3792.34920159 5 | 3835.0 3963.70963971 6 | 3840.0 4010.09400027 7 | 3845.0 3921.82871748 8 | 3850.0 3715.52629995 9 | 3855.0 3425.70348168 10 | 3860.0 3092.85612386 11 | 3865.0 2751.83956664 12 | 3870.0 2426.40773047 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_rot_90/BSA_sensorR80_d=infty_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3825.0 3526.63812570 4 | 3830.0 3792.34920159 5 | 3835.0 3963.70963971 6 | 3840.0 4010.09400027 7 | 3845.0 3921.82871748 8 | 3850.0 3715.52629995 9 | 3855.0 3425.70348168 10 | 3860.0 3092.85612386 11 | 3865.0 2751.83956664 12 | 3870.0 2426.40773047 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_30/BSA_sensorR80_d=infty_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3825.0 3526.63812570 4 | 3830.0 3792.34920159 5 | 3835.0 3963.70963971 6 | 3840.0 4010.09400027 7 | 3845.0 3921.82871748 8 | 3850.0 3715.52629995 9 | 3855.0 3425.70348168 10 | 3860.0 3092.85612386 11 | 3865.0 2751.83956664 12 | 3870.0 2426.40773047 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_45/BSA_sensorR80_d=infty_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3825.0 3526.63812570 4 | 3830.0 3792.34920159 5 | 3835.0 3963.70963971 6 | 3840.0 4010.09400027 7 | 3845.0 3921.82871748 8 | 3850.0 3715.52629995 9 | 3855.0 3425.70348168 10 | 3860.0 3092.85612386 11 | 3865.0 2751.83956664 12 | 3870.0 2426.40773047 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=0.5_2pz/BSA_sensorR80_2pz_d=0.5_00_ef0.0037_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=0.5_00 2 | 3822.5 2860.69780952 3 | 3827.5 3169.86118673 4 | 3832.5 3456.30652860 5 | 3837.5 3687.83977584 6 | 3842.5 3831.52925881 7 | 3847.5 3863.45027750 8 | 3852.5 3777.45454322 9 | 3857.5 3588.32118176 10 | 3862.5 3325.09770672 11 | 3867.5 3021.63129720 12 | 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2px/BSA_sensorR80_2px_d=1_00.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2px_d=1_00 2 | 3820.0 3085.15193601 3 | 3825.0 3407.76887112 4 | 3830.0 3689.24150917 5 | 3835.0 3890.85168417 6 | 3840.0 3979.04900720 7 | 3845.0 3936.77902623 8 | 3850.0 3771.86455429 9 | 3855.0 3512.58789382 10 | 3860.0 3197.38686802 11 | 3865.0 2862.70508512 12 | 3870.0 2535.48628073 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2py/BSA_sensorR80_2py_d=1_00.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2py_d=1_00 2 | 3820.0 3099.61505658 3 | 3825.0 3422.50636966 4 | 3830.0 3702.92263278 5 | 3835.0 3901.87422237 6 | 3840.0 3985.95109048 7 | 3845.0 3938.78940245 8 | 3850.0 3769.14889622 9 | 3855.0 3506.09919892 10 | 3860.0 3188.42880579 11 | 3865.0 2852.51928169 12 | 3870.0 2525.04101136 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/d1_tole-3/BSA_sensorR125_d=1_dens1.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_d=1_dens1 2 | 3820.0 11740.85094122 3 | 3825.0 12969.90755772 4 | 3830.0 14043.89307902 5 | 3835.0 14815.58593703 6 | 3840.0 15157.01242337 7 | 3845.0 15002.16148576 8 | 3850.0 14379.49342418 9 | 3855.0 13395.75306199 10 | 3860.0 12197.20924701 11 | 3865.0 10922.70674741 12 | 3870.0 9675.26628751 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR100_2p_ef0.0037/BSA_sensorR100_d=infty_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 6263.20671108 3 | 3825.0 6887.99501554 4 | 3830.0 7406.95566146 5 | 3835.0 7741.63414550 6 | 3840.0 7832.21649637 7 | 3845.0 7659.81129392 8 | 3850.0 7256.86712576 9 | 3855.0 6690.80066660 10 | 3860.0 6040.70542105 11 | 3865.0 5374.65743492 12 | 3870.0 4739.05010073 13 | 14 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR100_3p_ef0.0037/BSA_sensorR100_d=infty_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 6263.20671108 3 | 3825.0 6887.99501554 4 | 3830.0 7406.95566146 5 | 3835.0 7741.63414550 6 | 3840.0 7832.21649637 7 | 3845.0 7659.81129392 8 | 3850.0 7256.86712576 9 | 3855.0 6690.80066660 10 | 3860.0 6040.70542105 11 | 3865.0 5374.65743492 12 | 3870.0 4739.05010073 13 | 14 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030/BSA_sensorR125_d=infty_6030.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 12235.14499123 3 | 3825.0 13455.16858527 4 | 3830.0 14468.20654379 5 | 3835.0 15121.04611794 6 | 3840.0 15296.97948969 7 | 3845.0 14959.29798211 8 | 3850.0 14171.55290674 9 | 3855.0 13065.50481287 10 | 3860.0 11795.62450880 11 | 3865.0 10494.80282703 12 | 3870.0 9253.56743436 13 | 14 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_30_x/BSA_sensorR80_2pz_d=1_tilt_30_x_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_tilt_30_x 2 | 3822.5 2972.88713702 3 | 3827.5 3285.20325187 4 | 3832.5 3565.18635615 5 | 3837.5 3778.22345178 6 | 3842.5 3891.40774895 7 | 3847.5 3884.73549686 8 | 3852.5 3758.88340170 9 | 3857.5 3535.41938458 10 | 3862.5 3247.66454730 11 | 3867.5 2930.53610428 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR100_2p_ef0.0037/BSA_sensorR100_2prot_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR100_2prot 2 | 3820.0 5629.22233517 3 | 3825.0 6252.95939313 4 | 3830.0 6832.89559311 5 | 3835.0 7301.78043708 6 | 3840.0 7591.45931627 7 | 3845.0 7651.16078261 8 | 3850.0 7469.50485959 9 | 3855.0 7077.84648835 10 | 3860.0 6538.48990208 11 | 3865.0 5922.43678231 12 | 3870.0 5290.57912740 13 | 14 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR100_3p_ef0.0037/BSA_sensorR100_3prot_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR100_3prot 2 | 3820.0 5451.81620626 3 | 3825.0 6073.49001598 4 | 3830.0 6670.96667673 5 | 3835.0 7183.36425587 6 | 3840.0 7543.51688215 7 | 3845.0 7692.92766466 8 | 3850.0 7604.87628228 9 | 3855.0 7294.01025435 10 | 3860.0 6811.22424164 11 | 3865.0 6224.58013521 12 | 3870.0 5598.55842061 13 | 14 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_3p/BSA_sensorR125_3prot_d=1_ef0.0037_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_3prot_d=1 2 | 3822.5 12482.73335207 3 | 3827.5 13689.82095391 4 | 3832.5 14684.31049730 5 | 3837.5 15319.81534381 6 | 3842.5 15484.98418821 7 | 3847.5 15147.06980994 8 | 3852.5 14366.31581721 9 | 3857.5 13272.54759053 10 | 3862.5 12012.83816881 11 | 3867.5 10716.03730649 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2pz/BSA_sensorR80_2pz_d=1_00_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_00 2 | 3820.0 2813.27108949 3 | 3825.0 3129.94104144 4 | 3830.0 3429.71181302 5 | 3835.0 3680.08557225 6 | 3840.0 3846.58683243 7 | 3845.0 3901.06202839 8 | 3850.0 3833.54104575 9 | 3855.0 3655.46360879 10 | 3860.0 3395.76673598 11 | 3865.0 3089.82318364 12 | 3870.0 2769.72584463 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030/BSA_sensorR125_d=1_6030.txt: -------------------------------------------------------------------------------- 1 | #lambda [Ang], CextBSA_sensorR125_d=1_6030 2 | 3820.0 11929.92686584 3 | 3825.0 13156.92822532 4 | 3830.0 14209.55233769 5 | 3835.0 14937.96444917 6 | 3840.0 15217.52713154 7 | 3845.0 14992.90639810 8 | 3850.0 14306.02403416 9 | 3855.0 13273.56762377 10 | 3860.0 12045.66714525 11 | 3865.0 10759.31966048 12 | 3870.0 9513.19531196 13 | 14 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037/BSA_sensorR125_d=1_6030_ef0.0037_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_d=1_6030 2 | 3822.5 12685.27844553 3 | 3827.5 13855.64479397 4 | 3832.5 14774.16299763 5 | 3837.5 15295.82054724 6 | 3842.5 15324.61049862 7 | 3847.5 14853.00327403 8 | 3852.5 13965.76080386 9 | 3857.5 12806.18433546 10 | 3862.5 11521.27835933 11 | 3867.5 10231.41427774 12 | 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037/BSA_sensorR125_d=infty_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 12235.14499316 3 | 3825.0 13455.16858382 4 | 3830.0 14468.20654484 5 | 3835.0 15121.04611232 6 | 3840.0 15296.97948625 7 | 3845.0 14959.29797816 8 | 3850.0 14171.55290826 9 | 3855.0 13065.50481725 10 | 3860.0 11795.62450842 11 | 3865.0 10494.80282675 12 | 3870.0 9253.56743658 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_2pz/BSA_sensorR125_2pz_d=1_ef0.0037_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_2pz_d=1 2 | 3822.5 12256.25182879 3 | 3827.5 13430.20777477 4 | 3832.5 14388.56676965 5 | 3837.5 14987.68559539 6 | 3842.5 15121.67133896 7 | 3847.5 14763.49077678 8 | 3852.5 13977.13282150 9 | 3857.5 12892.76442422 10 | 3862.5 11654.23804582 11 | 3867.5 10386.21378877 12 | 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_rot_45/BSA_sensorR80_2pz_d=1_rot_45.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_rot_45 2 | 3820.0 2949.78721070 3 | 3825.0 3270.50617411 4 | 3830.0 3562.71885237 5 | 3835.0 3790.42757430 6 | 3840.0 3918.94335896 7 | 3845.0 3924.94144042 8 | 3850.0 3807.06375088 9 | 3855.0 3585.79604458 10 | 3860.0 3295.39291165 11 | 3865.0 2972.76654021 12 | 3870.0 2647.53545081 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_rot_90/BSA_sensorR80_2pz_d=1_rot_90.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_rot_90 2 | 3820.0 2977.38247043 3 | 3825.0 3298.17912233 4 | 3830.0 3587.87063214 5 | 3835.0 3809.93021795 6 | 3840.0 3929.82589186 7 | 3845.0 3925.55480734 8 | 3850.0 3797.63537644 9 | 3855.0 3568.28235595 10 | 3860.0 3272.68833954 11 | 3865.0 2947.60186565 12 | 3870.0 2622.14724196 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=0.5_2pz/BSA_sensorR80_2pz_d=0.5_00_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=0.5_00 2 | 3820.0 2705.85821929 3 | 3825.0 3016.41200586 4 | 3830.0 3317.83565817 5 | 3835.0 3580.94060000 6 | 3840.0 3772.48802124 7 | 3845.0 3862.35076905 8 | 3850.0 3834.79032512 9 | 3855.0 3694.21959051 10 | 3860.0 3463.67921364 11 | 3865.0 3176.22515532 12 | 3870.0 2864.58141105 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_4p/BSA_sensorR125_4prot_d=1_00_ef0.0037_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_4prot_d=1_00 2 | 3822.5 11648.13493791 3 | 3827.5 12840.09583302 4 | 3832.5 13880.23138432 5 | 3837.5 14630.87494137 6 | 3842.5 14970.45420177 7 | 3847.5 14836.76173847 8 | 3852.5 14252.18001935 9 | 3857.5 13316.56710102 10 | 3862.5 12165.02447654 11 | 3867.5 10929.31591636 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_30/BSA_sensorR80_2pz_d=1_tilt_30.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_tilt_30 2 | 3820.0 2812.89074007 3 | 3825.0 3129.58445713 4 | 3830.0 3429.40491440 5 | 3835.0 3679.91167280 6 | 3840.0 3846.61722117 7 | 3845.0 3901.29154274 8 | 3850.0 3833.82162572 9 | 3855.0 3655.95617237 10 | 3860.0 3396.21920323 11 | 3865.0 3090.29508225 12 | 3870.0 2770.21565981 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_45/BSA_sensorR80_2pz_d=1_tilt_45.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_tilt_45 2 | 3820.0 2810.70797982 3 | 3825.0 3127.37764749 4 | 3830.0 3427.36984985 5 | 3835.0 3678.30453787 6 | 3840.0 3845.61156334 7 | 3845.0 3901.12117915 8 | 3850.0 3834.58965672 9 | 3855.0 3657.42188533 10 | 3860.0 3398.27248881 11 | 3865.0 3092.63847636 12 | 3870.0 2772.47446662 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_3prot_d=1_00_ef0.0037/BSA_sensorR125_3prot_d=1_00_ef0.0037_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_3prot_d=1_00 2 | 3822.5 12088.79461387 3 | 3827.5 13313.38899749 4 | 3832.5 14371.84572656 5 | 3837.5 15121.15837408 6 | 3842.5 15438.13143417 7 | 3847.5 15263.79708328 8 | 3852.5 14627.70629839 9 | 3857.5 13638.95263688 10 | 3862.5 12437.97306926 11 | 3867.5 11159.62474587 12 | 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_2pz_00/BSA_sensorR125_2pz_d=1_00_ef0.0037_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_2pz_d=1_00 2 | 3822.5 11887.11820831 3 | 3827.5 13073.55144774 4 | 3832.5 14083.42843537 5 | 3837.5 14776.01370391 6 | 3842.5 15035.01800421 7 | 3847.5 14811.46991682 8 | 3852.5 14144.48872409 9 | 3857.5 13146.93826368 10 | 3862.5 11957.83642671 11 | 3867.5 10707.07974740 12 | 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_30_x/BSA_sensorR80_2pz_d=1_tilt_30_x.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_tilt_30_x 2 | 3820.0 2814.15432962 3 | 3825.0 3131.15059237 4 | 3830.0 3431.34040696 5 | 3835.0 3682.17867731 6 | 3840.0 3848.96369176 7 | 3845.0 3903.53850794 8 | 3850.0 3835.86154061 9 | 3855.0 3657.50123649 10 | 3860.0 3397.19068064 11 | 3865.0 3090.70123382 12 | 3870.0 2770.20618133 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037/BSA_sensorR125_d=1_6030_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_d=1_6030 2 | 3820.0 12052.91743616 3 | 3825.0 13292.52172284 4 | 3830.0 14356.12285037 5 | 3835.0 15092.04283877 6 | 3840.0 15374.58631287 7 | 3845.0 15147.70945714 8 | 3850.0 14453.73054175 9 | 3855.0 13410.64844107 10 | 3860.0 12170.07253494 11 | 3865.0 10870.45455021 12 | 3870.0 9611.45154139 13 | 14 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_2pz/BSA_sensorR125_2pz_d=1_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_2pz_d=1 2 | 3820.0 11632.64613184 3 | 3825.0 12861.30848122 4 | 3830.0 13945.66781878 5 | 3835.0 14740.75754822 6 | 3840.0 15116.66262412 7 | 3845.0 15001.90388770 8 | 3850.0 14417.27429655 9 | 3855.0 13463.24205821 10 | 3860.0 12283.31743620 11 | 3865.0 11017.01760340 12 | 3870.0 9770.13348229 13 | 14 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_3p/BSA_sensorR125_3prot_d=1_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_3prot_d=1 2 | 3820.0 11844.35643421 3 | 3825.0 13103.82915230 4 | 3830.0 14223.13526177 5 | 3835.0 15054.92582012 6 | 3840.0 15465.40224506 7 | 3845.0 15377.03595727 8 | 3850.0 14805.50366173 9 | 3855.0 13849.49589966 10 | 3860.0 12653.71882399 11 | 3865.0 11361.81451782 12 | 3870.0 10084.09820917 13 | 14 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/wave_water_diel_ang_3822.5-3867.5-.5.txt: -------------------------------------------------------------------------------- 1 | # lambda [ang], diel_real, diel_imag 2 | 3822.5 1.79673e+00 8.10793e-09 3 | 3827.5 1.79662e+00 8.01976e-09 4 | 3832.5 1.79651e+00 7.93160e-09 5 | 3837.5 1.79640e+00 7.84344e-09 6 | 3842.5 1.79630e+00 7.75528e-09 7 | 3847.5 1.79619e+00 7.66713e-09 8 | 3852.5 1.79608e+00 7.57899e-09 9 | 3857.5 1.79598e+00 7.49085e-09 10 | 3862.5 1.79587e+00 7.40271e-09 11 | 3867.5 1.79576e+00 7.31458e-09 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_3prot_d=1_00_ef0.0037/BSA_sensorR125_3prot_d=1_00_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_3prot_d=1_00 2 | 3820.0 11455.17554178 3 | 3825.0 12713.55694553 4 | 3830.0 13872.39126660 5 | 3835.0 14793.43219070 6 | 3840.0 15339.27067196 7 | 3845.0 15412.55184741 8 | 3850.0 14998.49836324 9 | 3855.0 14169.04171690 10 | 3860.0 13055.17718876 11 | 3865.0 11800.65424525 12 | 3870.0 10525.26547347 13 | 14 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_2pz_00/BSA_sensorR125_2pz_d=1_00_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_2pz_d=1_00 2 | 3820.0 11268.67446397 3 | 3825.0 12494.07661005 4 | 3830.0 13609.51814648 5 | 3835.0 14477.36719376 6 | 3840.0 14964.73155700 7 | 3845.0 14983.06193309 8 | 3850.0 14528.09833735 9 | 3855.0 13678.72889241 10 | 3860.0 12566.74638175 11 | 3865.0 11332.82594029 12 | 3870.0 10090.30865692 13 | 14 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_4p/BSA_sensorR125_4prot_d=1_00_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_4prot_d=1_00 2 | 3820.0 11034.00495246 3 | 3825.0 12255.16858830 4 | 3830.0 13387.77871383 5 | 3835.0 14299.80497848 6 | 3840.0 14857.74383136 7 | 3845.0 14963.31457456 8 | 3850.0 14596.45370580 9 | 3855.0 13820.26965392 10 | 3860.0 12758.22622449 11 | 3865.0 11549.93977768 12 | 3870.0 10313.44776387 13 | 14 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/wave_prot_diel_3822.5-3867.5-.5.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], diel_prot_real, diel_prot_imag 2 | 3822.5 2.75060e+00 2.84010e-01 3 | 3827.5 2.75042e+00 2.83567e-01 4 | 3832.5 2.75023e+00 2.83125e-01 5 | 3837.5 2.75005e+00 2.82685e-01 6 | 3842.5 2.74987e+00 2.82246e-01 7 | 3847.5 2.74969e+00 2.81809e-01 8 | 3852.5 2.74951e+00 2.81373e-01 9 | 3857.5 2.74933e+00 2.80939e-01 10 | 3862.5 2.74915e+00 2.80506e-01 11 | 3867.5 2.74898e+00 2.80074e-01 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/wave_silver_diel_ang_3822.5-3867.5-.5.txt: -------------------------------------------------------------------------------- 1 | # lambda [ang], diel_real, diel_imag 2 | 3822.5 -3.50882e+00 1.87385e-01 3 | 3827.5 -3.53315e+00 1.88033e-01 4 | 3832.5 -3.55756e+00 1.88681e-01 5 | 3837.5 -3.58205e+00 1.89329e-01 6 | 3842.5 -3.60663e+00 1.89977e-01 7 | 3847.5 -3.63129e+00 1.90625e-01 8 | 3852.5 -3.65604e+00 1.91273e-01 9 | 3857.5 -3.68087e+00 1.91921e-01 10 | 3862.5 -3.70578e+00 1.92569e-01 11 | 3867.5 -3.73078e+00 1.93217e-01 12 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/wave_water_diel_ang_3820-3870-5.txt: -------------------------------------------------------------------------------- 1 | # lambda [ang], diel_real, diel_imag 2 | 3820.0 1.79678e+00 8.15202e-09 3 | 3825.0 1.79667e+00 8.06385e-09 4 | 3830.0 1.79656e+00 7.97568e-09 5 | 3835.0 1.79646e+00 7.88752e-09 6 | 3840.0 1.79635e+00 7.79936e-09 7 | 3845.0 1.79624e+00 7.71120e-09 8 | 3850.0 1.79614e+00 7.62306e-09 9 | 3855.0 1.79603e+00 7.53492e-09 10 | 3860.0 1.79592e+00 7.44678e-09 11 | 3865.0 1.79581e+00 7.35865e-09 12 | 3870.0 1.79571e+00 7.27052e-09 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/wave_prot_diel_ang_3820-3870-5.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], diel_prot_real, diel_prot_imag 2 | 3820.0 2.75069e+00 2.84232e-01 3 | 3825.0 2.75051e+00 2.83788e-01 4 | 3830.0 2.75033e+00 2.83346e-01 5 | 3835.0 2.75014e+00 2.82905e-01 6 | 3840.0 2.74996e+00 2.82466e-01 7 | 3845.0 2.74978e+00 2.82027e-01 8 | 3850.0 2.74960e+00 2.81591e-01 9 | 3855.0 2.74942e+00 2.81156e-01 10 | 3860.0 2.74924e+00 2.80722e-01 11 | 3865.0 2.74907e+00 2.80290e-01 12 | 3870.0 2.74889e+00 2.79859e-01 13 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/wave_silver_diel_ang_3820-3870-5.txt: -------------------------------------------------------------------------------- 1 | # lambda [ang], diel_real, diel_imag 2 | 3820.0 -3.49669e+00 1.87061e-01 3 | 3825.0 -3.52097e+00 1.87709e-01 4 | 3830.0 -3.54534e+00 1.88357e-01 5 | 3835.0 -3.56979e+00 1.89005e-01 6 | 3840.0 -3.59433e+00 1.89653e-01 7 | 3845.0 -3.61895e+00 1.90301e-01 8 | 3850.0 -3.64365e+00 1.90949e-01 9 | 3855.0 -3.66844e+00 1.91597e-01 10 | 3860.0 -3.69332e+00 1.92245e-01 11 | 3865.0 -3.71827e+00 1.92893e-01 12 | 3870.0 -3.74331e+00 1.93541e-01 13 | -------------------------------------------------------------------------------- /paper/BSA_silver_NP_LSPR_response/data/BSA_sensorR80_d=infty_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3822.5 3370.87594751 4 | 3825.0 3526.63812570 5 | 3827.5 3668.78706243 6 | 3830.0 3792.34920159 7 | 3832.5 3892.13697109 8 | 3835.0 3963.70963971 9 | 3837.5 4003.76685666 10 | 3840.0 4010.09400027 11 | 3842.5 3982.38468066 12 | 3845.0 3921.82871748 13 | 3847.5 3831.54098419 14 | 3850.0 3715.52629995 15 | 3852.5 3578.29013765 16 | 3855.0 3425.70348168 17 | 3857.5 3262.39579750 18 | 3860.0 3092.85612386 19 | 3862.5 2921.84128247 20 | 3865.0 2751.83956664 21 | 3867.5 2586.15365804 22 | 3870.0 2426.40773047 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=0.5_2pz_GOLD/GOLD_BSA_sensorR80_d=infty_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 5170.0 198.43158377 3 | 5175.0 199.94116648 4 | 5180.0 201.42903413 5 | 5185.0 202.89674484 6 | 5190.0 204.33858923 7 | 5195.0 205.75008640 8 | 5200.0 207.13168982 9 | 5205.0 208.47689396 10 | 5210.0 209.57050904 11 | 5215.0 209.01085950 12 | 5220.0 208.39148164 13 | 5225.0 207.70710212 14 | 5230.0 206.96449156 15 | 5235.0 206.16041823 16 | 5240.0 205.29302536 17 | 5245.0 204.36751781 18 | 5250.0 203.38120729 19 | 5255.0 202.33387848 20 | 5260.0 201.22907401 21 | 5265.0 200.06686229 22 | 5270.0 198.84395953 23 | -------------------------------------------------------------------------------- /paper/BSA_silver_NP_LSPR_response/data/BSA_sensorR80_2px_d=1_00_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2px_d=1_00 2 | 3820.0 3085.15193601 3 | 3822.5 3249.22974128 4 | 3825.0 3407.76887112 5 | 3827.5 3555.98236303 6 | 3830.0 3689.24150917 7 | 3832.5 3802.41799322 8 | 3835.0 3890.85168417 9 | 3837.5 3950.77032821 10 | 3840.0 3979.04900720 11 | 3842.5 3974.35909558 12 | 3845.0 3936.77902623 13 | 3847.5 3868.24389264 14 | 3850.0 3771.86455429 15 | 3852.5 3651.51056263 16 | 3855.0 3512.58789382 17 | 3857.5 3359.66367238 18 | 3860.0 3197.38686802 19 | 3862.5 3030.76483334 20 | 3865.0 2862.70508512 21 | 3867.5 2696.92681604 22 | 3870.0 2535.48628073 23 | -------------------------------------------------------------------------------- /paper/BSA_silver_NP_LSPR_response/data/BSA_sensorR80_2py_d=1_00_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2py_d=1_00 2 | 3820.0 3099.61505658 3 | 3822.5 3263.96864533 4 | 3825.0 3422.50636966 5 | 3827.5 3570.38876382 6 | 3830.0 3702.92263278 7 | 3832.5 3814.98028838 8 | 3835.0 3901.87422237 9 | 3837.5 3959.87990521 10 | 3840.0 3985.95109048 11 | 3842.5 3978.85671972 12 | 3845.0 3938.78940245 13 | 3847.5 3867.81416037 14 | 3850.0 3769.14889622 15 | 3852.5 3646.76027484 16 | 3855.0 3506.09919892 17 | 3857.5 3351.78201274 18 | 3860.0 3188.42880579 19 | 3862.5 3021.05014268 20 | 3865.0 2852.51928169 21 | 3867.5 2686.51000316 22 | 3870.0 2525.04101136 23 | -------------------------------------------------------------------------------- /paper/BSA_silver_NP_LSPR_response/data/BSA_sensorR80_2pz_d=1_00_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_00 2 | 3820.0 2813.27108949 3 | 3822.5 2971.89760222 4 | 3825.0 3129.94104144 5 | 3827.5 3283.76028518 6 | 3830.0 3429.71181302 7 | 3832.5 3563.31771432 8 | 3835.0 3680.08557225 9 | 3837.5 3775.98238236 10 | 3840.0 3846.58683243 11 | 3842.5 3888.94987989 12 | 3845.0 3901.06202839 13 | 3847.5 3882.30571527 14 | 3850.0 3833.54104575 15 | 3852.5 3756.63297144 16 | 3855.0 3655.46360879 17 | 3857.5 3533.74425303 18 | 3860.0 3395.76673598 19 | 3862.5 3246.56112323 20 | 3865.0 3089.82318364 21 | 3867.5 2929.90325719 22 | 3870.0 2769.72584463 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=0.5_2pz_GOLD/GOLD_BSA_sensorR80_d=infty_half_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 5172.5 199.18772785 3 | 5177.5 200.68768396 4 | 5182.5 202.16648134 5 | 5187.5 203.61975635 6 | 5192.5 205.04822972 7 | 5197.5 206.44580238 8 | 5202.5 207.80744374 9 | 5207.5 209.13381064 10 | 5212.5 209.29962575 11 | 5217.5 208.70746638 12 | 5222.5 208.05675605 13 | 5227.5 207.34442743 14 | 5232.5 206.56922600 15 | 5237.5 205.73395750 16 | 5242.5 204.83868142 17 | 5247.5 203.88023734 18 | 5252.5 202.86513981 19 | 5257.5 201.79003440 20 | 5262.5 200.65387765 21 | 5267.5 199.46215504 22 | 5272.5 198.20975267 23 | 24 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2px/BSA_sensorR80_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3822.5 3370.87594751 4 | 3825.0 3526.63812570 5 | 3827.5 3668.78706243 6 | 3830.0 3792.34920159 7 | 3832.5 3892.13697109 8 | 3835.0 3963.70963971 9 | 3837.5 4003.76685666 10 | 3840.0 4010.09400027 11 | 3842.5 3982.38468066 12 | 3845.0 3921.82871748 13 | 3847.5 3831.54098419 14 | 3850.0 3715.52629995 15 | 3852.5 3578.29013765 16 | 3855.0 3425.70348168 17 | 3857.5 3262.39579750 18 | 3860.0 3092.85612386 19 | 3862.5 2921.84128247 20 | 3865.0 2751.83956664 21 | 3867.5 2586.15365804 22 | 3870.0 2426.40773047 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2py/BSA_sensorR80_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3822.5 3370.87594751 4 | 3825.0 3526.63812570 5 | 3827.5 3668.78706243 6 | 3830.0 3792.34920159 7 | 3832.5 3892.13697109 8 | 3835.0 3963.70963971 9 | 3837.5 4003.76685666 10 | 3840.0 4010.09400027 11 | 3842.5 3982.38468066 12 | 3845.0 3921.82871748 13 | 3847.5 3831.54098419 14 | 3850.0 3715.52629995 15 | 3852.5 3578.29013765 16 | 3855.0 3425.70348168 17 | 3857.5 3262.39579750 18 | 3860.0 3092.85612386 19 | 3862.5 2921.84128247 20 | 3865.0 2751.83956664 21 | 3867.5 2586.15365804 22 | 3870.0 2426.40773047 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2pz/BSA_sensorR80_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3822.5 3370.87594751 4 | 3825.0 3526.63812570 5 | 3827.5 3668.78706243 6 | 3830.0 3792.34920159 7 | 3832.5 3892.13697109 8 | 3835.0 3963.70963971 9 | 3837.5 4003.76685666 10 | 3840.0 4010.09400027 11 | 3842.5 3982.38468066 12 | 3845.0 3921.82871748 13 | 3847.5 3831.54098419 14 | 3850.0 3715.52629995 15 | 3852.5 3578.29013765 16 | 3855.0 3425.70348168 17 | 3857.5 3262.39579750 18 | 3860.0 3092.85612386 19 | 3862.5 2921.84128247 20 | 3865.0 2751.83956664 21 | 3867.5 2586.15365804 22 | 3870.0 2426.40773047 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/d1_tole-3/BSA_sensorR125_d=infty_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 12235.14499123 3 | 3822.5 12861.15360090 4 | 3825.0 13455.16858527 5 | 3827.5 13997.17763046 6 | 3830.0 14468.20654379 7 | 3832.5 14848.47198488 8 | 3835.0 15121.04611794 9 | 3837.5 15273.35612548 10 | 3840.0 15296.97948969 11 | 3842.5 15190.77240113 12 | 3845.0 14959.29798211 13 | 3847.5 14614.46103646 14 | 3850.0 14171.55290674 15 | 3852.5 13647.76799100 16 | 3855.0 13065.50481287 17 | 3857.5 12442.41825172 18 | 3860.0 11795.62450880 19 | 3862.5 11143.25905528 20 | 3865.0 10494.80282703 21 | 3867.5 9862.84359153 22 | 3870.0 9253.56743436 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=0.5_2pz/BSA_sensorR80_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3822.5 3370.87594751 4 | 3825.0 3526.63812570 5 | 3827.5 3668.78706243 6 | 3830.0 3792.34920159 7 | 3832.5 3892.13697109 8 | 3835.0 3963.70963971 9 | 3837.5 4003.76685666 10 | 3840.0 4010.09400027 11 | 3842.5 3982.38468066 12 | 3845.0 3921.82871748 13 | 3847.5 3831.54098419 14 | 3850.0 3715.52629995 15 | 3852.5 3578.29013765 16 | 3855.0 3425.70348168 17 | 3857.5 3262.39579750 18 | 3860.0 3092.85612386 19 | 3862.5 2921.84128247 20 | 3865.0 2751.83956664 21 | 3867.5 2586.15365804 22 | 3870.0 2426.40773047 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_rot_45/BSA_sensorR80_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3822.5 3370.87594751 4 | 3825.0 3526.63812570 5 | 3827.5 3668.78706243 6 | 3830.0 3792.34920159 7 | 3832.5 3892.13697109 8 | 3835.0 3963.70963971 9 | 3837.5 4003.76685666 10 | 3840.0 4010.09400027 11 | 3842.5 3982.38468066 12 | 3845.0 3921.82871748 13 | 3847.5 3831.54098419 14 | 3850.0 3715.52629995 15 | 3852.5 3578.29013765 16 | 3855.0 3425.70348168 17 | 3857.5 3262.39579750 18 | 3860.0 3092.85612386 19 | 3862.5 2921.84128247 20 | 3865.0 2751.83956664 21 | 3867.5 2586.15365804 22 | 3870.0 2426.40773047 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_rot_90/BSA_sensorR80_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3822.5 3370.87594751 4 | 3825.0 3526.63812570 5 | 3827.5 3668.78706243 6 | 3830.0 3792.34920159 7 | 3832.5 3892.13697109 8 | 3835.0 3963.70963971 9 | 3837.5 4003.76685666 10 | 3840.0 4010.09400027 11 | 3842.5 3982.38468066 12 | 3845.0 3921.82871748 13 | 3847.5 3831.54098419 14 | 3850.0 3715.52629995 15 | 3852.5 3578.29013765 16 | 3855.0 3425.70348168 17 | 3857.5 3262.39579750 18 | 3860.0 3092.85612386 19 | 3862.5 2921.84128247 20 | 3865.0 2751.83956664 21 | 3867.5 2586.15365804 22 | 3870.0 2426.40773047 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_30/BSA_sensorR80_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3822.5 3370.87594751 4 | 3825.0 3526.63812570 5 | 3827.5 3668.78706243 6 | 3830.0 3792.34920159 7 | 3832.5 3892.13697109 8 | 3835.0 3963.70963971 9 | 3837.5 4003.76685666 10 | 3840.0 4010.09400027 11 | 3842.5 3982.38468066 12 | 3845.0 3921.82871748 13 | 3847.5 3831.54098419 14 | 3850.0 3715.52629995 15 | 3852.5 3578.29013765 16 | 3855.0 3425.70348168 17 | 3857.5 3262.39579750 18 | 3860.0 3092.85612386 19 | 3862.5 2921.84128247 20 | 3865.0 2751.83956664 21 | 3867.5 2586.15365804 22 | 3870.0 2426.40773047 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_30_x/BSA_sensorR80_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3822.5 3370.87594751 4 | 3825.0 3526.63812570 5 | 3827.5 3668.78706243 6 | 3830.0 3792.34920159 7 | 3832.5 3892.13697109 8 | 3835.0 3963.70963971 9 | 3837.5 4003.76685666 10 | 3840.0 4010.09400027 11 | 3842.5 3982.38468066 12 | 3845.0 3921.82871748 13 | 3847.5 3831.54098419 14 | 3850.0 3715.52629995 15 | 3852.5 3578.29013765 16 | 3855.0 3425.70348168 17 | 3857.5 3262.39579750 18 | 3860.0 3092.85612386 19 | 3862.5 2921.84128247 20 | 3865.0 2751.83956664 21 | 3867.5 2586.15365804 22 | 3870.0 2426.40773047 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_45/BSA_sensorR80_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 3206.74517569 3 | 3822.5 3370.87594751 4 | 3825.0 3526.63812570 5 | 3827.5 3668.78706243 6 | 3830.0 3792.34920159 7 | 3832.5 3892.13697109 8 | 3835.0 3963.70963971 9 | 3837.5 4003.76685666 10 | 3840.0 4010.09400027 11 | 3842.5 3982.38468066 12 | 3845.0 3921.82871748 13 | 3847.5 3831.54098419 14 | 3850.0 3715.52629995 15 | 3852.5 3578.29013765 16 | 3855.0 3425.70348168 17 | 3857.5 3262.39579750 18 | 3860.0 3092.85612386 19 | 3862.5 2921.84128247 20 | 3865.0 2751.83956664 21 | 3867.5 2586.15365804 22 | 3870.0 2426.40773047 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=0.5_2pz_GOLD/GOLD_BSA_sensorR80_2pz_d=0.5_00_ef0.0037.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=0.5_00 2 | 5170.0 201.56172157 3 | 5175.0 203.16332957 4 | 5180.0 204.74468610 5 | 5185.0 206.31071095 6 | 5190.0 207.85406094 7 | 5195.0 209.37035477 8 | 5200.0 210.86000765 9 | 5205.0 212.31658282 10 | 5210.0 213.51990511 11 | 5215.0 213.03218100 12 | 5220.0 212.48356213 13 | 5225.0 211.86866511 14 | 5230.0 211.19403628 15 | 5235.0 210.45635880 16 | 5240.0 209.65367362 17 | 5245.0 208.79182473 18 | 5250.0 207.86638430 19 | 5255.0 206.87792648 20 | 5260.0 205.82972037 21 | 5265.0 204.72180231 22 | 5270.0 203.55084914 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2px/BSA_sensorR80_2px_d=1_00_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2px_d=1_00 2 | 3820.0 3085.15193601 3 | 3822.5 3249.22974128 4 | 3825.0 3407.76887112 5 | 3827.5 3555.98236303 6 | 3830.0 3689.24150917 7 | 3832.5 3802.41799322 8 | 3835.0 3890.85168417 9 | 3837.5 3950.77032821 10 | 3840.0 3979.04900720 11 | 3842.5 3974.35909558 12 | 3845.0 3936.77902623 13 | 3847.5 3868.24389264 14 | 3850.0 3771.86455429 15 | 3852.5 3651.51056263 16 | 3855.0 3512.58789382 17 | 3857.5 3359.66367238 18 | 3860.0 3197.38686802 19 | 3862.5 3030.76483334 20 | 3865.0 2862.70508512 21 | 3867.5 2696.92681604 22 | 3870.0 2535.48628073 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2py/BSA_sensorR80_2py_d=1_00_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2py_d=1_00 2 | 3820.0 3099.61505658 3 | 3822.5 3263.96864533 4 | 3825.0 3422.50636966 5 | 3827.5 3570.38876382 6 | 3830.0 3702.92263278 7 | 3832.5 3814.98028838 8 | 3835.0 3901.87422237 9 | 3837.5 3959.87990521 10 | 3840.0 3985.95109048 11 | 3842.5 3978.85671972 12 | 3845.0 3938.78940245 13 | 3847.5 3867.81416037 14 | 3850.0 3769.14889622 15 | 3852.5 3646.76027484 16 | 3855.0 3506.09919892 17 | 3857.5 3351.78201274 18 | 3860.0 3188.42880579 19 | 3862.5 3021.05014268 20 | 3865.0 2852.51928169 21 | 3867.5 2686.51000316 22 | 3870.0 2525.04101136 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=0.5_2pz_GOLD/GOLD_BSA_sensorR80_2pz_d=0.5_00_ef0.0037_half.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=0.5_00 2 | 5172.5 202.36351930 3 | 5177.5 203.95536925 4 | 5182.5 205.53088340 5 | 5187.5 207.08410289 6 | 5192.5 208.61567429 7 | 5197.5 210.11963967 8 | 5202.5 211.59104918 9 | 5207.5 213.03046520 10 | 5212.5 213.28511563 11 | 5217.5 212.76435565 12 | 5222.5 212.18375825 13 | 5227.5 211.54015372 14 | 5232.5 210.83220793 15 | 5237.5 210.06248933 16 | 5242.5 209.23099053 17 | 5247.5 208.33526777 18 | 5252.5 207.38004108 19 | 5257.5 206.36267245 20 | 5262.5 205.28201174 21 | 5267.5 204.14337401 22 | 5272.5 202.94573969 23 | 24 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=1_2pz/BSA_sensorR80_2pz_d=1_00_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_00 2 | 3820.0 2813.27108949 3 | 3822.5 2971.89760222 4 | 3825.0 3129.94104144 5 | 3827.5 3283.76028518 6 | 3830.0 3429.71181302 7 | 3832.5 3563.31771432 8 | 3835.0 3680.08557225 9 | 3837.5 3775.98238236 10 | 3840.0 3846.58683243 11 | 3842.5 3888.94987989 12 | 3845.0 3901.06202839 13 | 3847.5 3882.30571527 14 | 3850.0 3833.54104575 15 | 3852.5 3756.63297144 16 | 3855.0 3655.46360879 17 | 3857.5 3533.74425303 18 | 3860.0 3395.76673598 19 | 3862.5 3246.56112323 20 | 3865.0 3089.82318364 21 | 3867.5 2929.90325719 22 | 3870.0 2769.72584463 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/d1_tole-3/BSA_sensorR125_d=1_dens1_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_d=1_dens1 2 | 3820.0 11740.85094122 3 | 3822.5 12365.85189422 4 | 3825.0 12969.90755772 5 | 3827.5 13535.10940625 6 | 3830.0 14043.89307902 7 | 3832.5 14476.60907260 8 | 3835.0 14815.58593703 9 | 3837.5 15046.39609144 10 | 3840.0 15157.01242337 11 | 3842.5 15142.22418733 12 | 3845.0 15002.16148576 13 | 3847.5 14744.01538708 14 | 3850.0 14379.49342418 15 | 3852.5 13923.23227159 16 | 3855.0 13395.75306199 17 | 3857.5 12814.64794380 18 | 3860.0 12197.20924701 19 | 3862.5 11562.78979495 20 | 3865.0 10922.70674741 21 | 3867.5 10290.83079539 22 | 3870.0 9675.26628751 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_rot_45/BSA_sensorR80_2pz_d=1_rot_45_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_rot_45 2 | 3820.0 2949.78721070 3 | 3822.5 3111.60376697 4 | 3825.0 3270.50617411 5 | 3827.5 3422.27093814 6 | 3830.0 3562.71885237 7 | 3832.5 3686.98997603 8 | 3835.0 3790.42757430 9 | 3837.5 3869.01079599 10 | 3840.0 3918.94335896 11 | 3842.5 3937.91661669 12 | 3845.0 3924.94144042 13 | 3847.5 3880.60872466 14 | 3850.0 3807.06375088 15 | 3852.5 3707.24082365 16 | 3855.0 3585.79604458 17 | 3857.5 3447.02939917 18 | 3860.0 3295.39291165 19 | 3862.5 3136.25643131 20 | 3865.0 2972.76654021 21 | 3867.5 2809.00630644 22 | 3870.0 2647.53545081 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_rot_90/BSA_sensorR80_2pz_d=1_rot_90_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_rot_90 2 | 3820.0 2977.38247043 3 | 3822.5 3139.50855820 4 | 3825.0 3298.17912233 5 | 3827.5 3449.05979488 6 | 3830.0 3587.87063214 7 | 3832.5 3709.70358773 8 | 3835.0 3809.93021795 9 | 3837.5 3884.52982102 10 | 3840.0 3929.82589186 11 | 3842.5 3943.76489942 12 | 3845.0 3925.55480734 13 | 3847.5 3876.11694073 14 | 3850.0 3797.63537644 15 | 3852.5 3693.44154662 16 | 3855.0 3568.28235595 17 | 3857.5 3426.46393728 18 | 3860.0 3272.68833954 19 | 3862.5 3112.00561238 20 | 3865.0 2947.60186565 21 | 3867.5 2783.51681945 22 | 3870.0 2622.14724196 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_30/BSA_sensorR80_2pz_d=1_tilt_30_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_tilt_30 2 | 3820.0 2812.89074007 3 | 3822.5 2971.52398287 4 | 3825.0 3129.58445713 5 | 3827.5 3283.40885209 6 | 3830.0 3429.40491440 7 | 3832.5 3563.07020659 8 | 3835.0 3679.91167280 9 | 3837.5 3775.91465666 10 | 3840.0 3846.61722117 11 | 3842.5 3889.08113354 12 | 3845.0 3901.29154274 13 | 3847.5 3882.62527393 14 | 3850.0 3833.82162572 15 | 3852.5 3757.07579097 16 | 3855.0 3655.95617237 17 | 3857.5 3534.26985914 18 | 3860.0 3396.21920323 19 | 3862.5 3247.09807042 20 | 3865.0 3090.29508225 21 | 3867.5 2930.36663070 22 | 3870.0 2770.21565981 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_45/BSA_sensorR80_2pz_d=1_tilt_45_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_tilt_45 2 | 3820.0 2810.70797982 3 | 3822.5 2969.30902772 4 | 3825.0 3127.37764749 5 | 3827.5 3281.28557593 6 | 3830.0 3427.36984985 7 | 3832.5 3561.21525983 8 | 3835.0 3678.30453787 9 | 3837.5 3774.55475433 10 | 3840.0 3845.61156334 11 | 3842.5 3888.47760244 12 | 3845.0 3901.12117915 13 | 3847.5 3882.84905983 14 | 3850.0 3834.58965672 15 | 3852.5 3758.23537296 16 | 3855.0 3657.42188533 17 | 3857.5 3535.98851054 18 | 3860.0 3398.27248881 19 | 3862.5 3249.29600861 20 | 3865.0 3092.63847636 21 | 3867.5 2932.71329196 22 | 3870.0 2772.47446662 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_3prot_d=1_00_ef0.0037/BSA_sensorR125_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 12235.14499316 3 | 3822.5 12861.15359857 4 | 3825.0 13455.16858382 5 | 3827.5 13997.17762909 6 | 3830.0 14468.20654484 7 | 3832.5 14848.47198923 8 | 3835.0 15121.04611232 9 | 3837.5 15273.35612159 10 | 3840.0 15296.97948625 11 | 3842.5 15190.77240089 12 | 3845.0 14959.29797816 13 | 3847.5 14614.46103753 14 | 3850.0 14171.55290826 15 | 3852.5 13647.76798965 16 | 3855.0 13065.50481725 17 | 3857.5 12442.41825113 18 | 3860.0 11795.62450842 19 | 3862.5 11143.25905119 20 | 3865.0 10494.80282675 21 | 3867.5 9862.84358883 22 | 3870.0 9253.56743658 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037/BSA_sensorR125_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 12235.14499316 3 | 3822.5 12861.15359857 4 | 3825.0 13455.16858382 5 | 3827.5 13997.17762909 6 | 3830.0 14468.20654484 7 | 3832.5 14848.47198923 8 | 3835.0 15121.04611232 9 | 3837.5 15273.35612159 10 | 3840.0 15296.97948625 11 | 3842.5 15190.77240089 12 | 3845.0 14959.29797816 13 | 3847.5 14614.46103753 14 | 3850.0 14171.55290826 15 | 3852.5 13647.76798965 16 | 3855.0 13065.50481725 17 | 3857.5 12442.41825113 18 | 3860.0 11795.62450842 19 | 3862.5 11143.25905119 20 | 3865.0 10494.80282675 21 | 3867.5 9862.84358883 22 | 3870.0 9253.56743658 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_2pz/BSA_sensorR125_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 12235.14499316 3 | 3822.5 12861.15359857 4 | 3825.0 13455.16858382 5 | 3827.5 13997.17762909 6 | 3830.0 14468.20654484 7 | 3832.5 14848.47198923 8 | 3835.0 15121.04611232 9 | 3837.5 15273.35612159 10 | 3840.0 15296.97948625 11 | 3842.5 15190.77240089 12 | 3845.0 14959.29797816 13 | 3847.5 14614.46103753 14 | 3850.0 14171.55290826 15 | 3852.5 13647.76798965 16 | 3855.0 13065.50481725 17 | 3857.5 12442.41825113 18 | 3860.0 11795.62450842 19 | 3862.5 11143.25905119 20 | 3865.0 10494.80282675 21 | 3867.5 9862.84358883 22 | 3870.0 9253.56743658 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_3p/BSA_sensorR125_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 12235.14499316 3 | 3822.5 12861.15359857 4 | 3825.0 13455.16858382 5 | 3827.5 13997.17762909 6 | 3830.0 14468.20654484 7 | 3832.5 14848.47198923 8 | 3835.0 15121.04611232 9 | 3837.5 15273.35612159 10 | 3840.0 15296.97948625 11 | 3842.5 15190.77240089 12 | 3845.0 14959.29797816 13 | 3847.5 14614.46103753 14 | 3850.0 14171.55290826 15 | 3852.5 13647.76798965 16 | 3855.0 13065.50481725 17 | 3857.5 12442.41825113 18 | 3860.0 11795.62450842 19 | 3862.5 11143.25905119 20 | 3865.0 10494.80282675 21 | 3867.5 9862.84358883 22 | 3870.0 9253.56743658 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_4p/BSA_sensorR125_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 12235.14499316 3 | 3822.5 12861.15359857 4 | 3825.0 13455.16858382 5 | 3827.5 13997.17762909 6 | 3830.0 14468.20654484 7 | 3832.5 14848.47198923 8 | 3835.0 15121.04611232 9 | 3837.5 15273.35612159 10 | 3840.0 15296.97948625 11 | 3842.5 15190.77240089 12 | 3845.0 14959.29797816 13 | 3847.5 14614.46103753 14 | 3850.0 14171.55290826 15 | 3852.5 13647.76798965 16 | 3855.0 13065.50481725 17 | 3857.5 12442.41825113 18 | 3860.0 11795.62450842 19 | 3862.5 11143.25905119 20 | 3865.0 10494.80282675 21 | 3867.5 9862.84358883 22 | 3870.0 9253.56743658 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_2pz_d=1_tilt_30_x/BSA_sensorR80_2pz_d=1_tilt_30_x_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=1_tilt_30_x 2 | 3820.0 2814.15432962 3 | 3822.5 2972.88713702 4 | 3825.0 3131.15059237 5 | 3827.5 3285.20325187 6 | 3830.0 3431.34040696 7 | 3832.5 3565.18635615 8 | 3835.0 3682.17867731 9 | 3837.5 3778.22345178 10 | 3840.0 3848.96369176 11 | 3842.5 3891.40774895 12 | 3845.0 3903.53850794 13 | 3847.5 3884.73549686 14 | 3850.0 3835.86154061 15 | 3852.5 3758.88340170 16 | 3855.0 3657.50123649 17 | 3857.5 3535.41938458 18 | 3860.0 3397.19068064 19 | 3862.5 3247.66454730 20 | 3865.0 3090.70123382 21 | 3867.5 2930.53610428 22 | 3870.0 2770.20618133 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_2pz_00/BSA_sensorR125_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3820.0 12235.14499316 3 | 3822.5 12861.15359857 4 | 3825.0 13455.16858382 5 | 3827.5 13997.17762909 6 | 3830.0 14468.20654484 7 | 3832.5 14848.47198923 8 | 3835.0 15121.04611232 9 | 3837.5 15273.35612159 10 | 3840.0 15296.97948625 11 | 3842.5 15190.77240089 12 | 3845.0 14959.29797816 13 | 3847.5 14614.46103753 14 | 3850.0 14171.55290826 15 | 3852.5 13647.76798965 16 | 3855.0 13065.50481725 17 | 3857.5 12442.41825113 18 | 3860.0 11795.62450842 19 | 3862.5 11143.25905119 20 | 3865.0 10494.80282675 21 | 3867.5 9862.84358883 22 | 3870.0 9253.56743658 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR100_2p_ef0.0037/BSA_sensorR100_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | 2 | # lambda [Ang], Cext, d=infty 3 | # lambda [Ang], Cext, d=infty 4 | 3820.0 6263.20671108 5 | 3822.5 6583.77374601 6 | 3825.0 6887.99501554 7 | 3827.5 7165.62699253 8 | 3830.0 7406.95566146 9 | 3832.5 7601.84909961 10 | 3835.0 7741.63414550 11 | 3837.5 7819.86498036 12 | 3840.0 7832.21649637 13 | 3842.5 7778.09053219 14 | 3845.0 7659.81129392 15 | 3847.5 7483.46279169 16 | 3850.0 7256.86712576 17 | 3852.5 6988.82414548 18 | 3855.0 6690.80066660 19 | 3857.5 6371.83856817 20 | 3860.0 6040.70542105 21 | 3862.5 5706.69176860 22 | 3865.0 5374.65743492 23 | 3867.5 5051.05285164 24 | 3870.0 4739.05010073 25 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR100_3p_ef0.0037/BSA_sensorR100_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | 2 | # lambda [Ang], Cext, d=infty 3 | # lambda [Ang], Cext, d=infty 4 | 3820.0 6263.20671108 5 | 3822.5 6583.77374601 6 | 3825.0 6887.99501554 7 | 3827.5 7165.62699253 8 | 3830.0 7406.95566146 9 | 3832.5 7601.84909961 10 | 3835.0 7741.63414550 11 | 3837.5 7819.86498036 12 | 3840.0 7832.21649637 13 | 3842.5 7778.09053219 14 | 3845.0 7659.81129392 15 | 3847.5 7483.46279169 16 | 3850.0 7256.86712576 17 | 3852.5 6988.82414548 18 | 3855.0 6690.80066660 19 | 3857.5 6371.83856817 20 | 3860.0 6040.70542105 21 | 3862.5 5706.69176860 22 | 3865.0 5374.65743492 23 | 3867.5 5051.05285164 24 | 3870.0 4739.05010073 25 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR100_2p_ef0.0037/BSA_sensorR100_2prot_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | 2 | # lambda [Ang], CextBSA_sensorR100_2prot 3 | # lambda [Ang], CextBSA_sensorR100_2prot 4 | 3820.0 5629.22233517 5 | 3822.5 5942.71613282 6 | 3825.0 6252.95939313 7 | 3827.5 6552.23171304 8 | 3830.0 6832.89559311 9 | 3832.5 7085.73291962 10 | 3835.0 7301.78043708 11 | 3837.5 7473.04899672 12 | 3840.0 7591.45931627 13 | 3842.5 7651.83547235 14 | 3845.0 7651.16078261 15 | 3847.5 7589.44075816 16 | 3850.0 7469.50485959 17 | 3852.5 7296.23192291 18 | 3855.0 7077.84648835 19 | 3857.5 6822.37695043 20 | 3860.0 6538.48990208 21 | 3862.5 6236.29673487 22 | 3865.0 5922.43678231 23 | 3867.5 5605.43700255 24 | 3870.0 5290.57912740 25 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR100_3p_ef0.0037/BSA_sensorR100_3prot_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | 2 | # lambda [Ang], CextBSA_sensorR100_3prot 3 | # lambda [Ang], CextBSA_sensorR100_3prot 4 | 3820.0 5451.81620626 5 | 3822.5 5762.32366837 6 | 3825.0 6073.49001598 7 | 3827.5 6378.61862941 8 | 3830.0 6670.96667673 9 | 3832.5 6942.09447088 10 | 3835.0 7183.36425587 11 | 3837.5 7386.79066082 12 | 3840.0 7543.51688215 13 | 3842.5 7647.13653987 14 | 3845.0 7692.92766466 15 | 3847.5 7678.61788627 16 | 3850.0 7604.87628228 17 | 3852.5 7474.52210397 18 | 3855.0 7294.01025435 19 | 3857.5 7070.21086665 20 | 3860.0 6811.22424164 21 | 3862.5 6526.99085295 22 | 3865.0 6224.58013521 23 | 3867.5 5913.01098987 24 | 3870.0 5598.55842061 25 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=0.5_2pz/BSA_sensorR80_2pz_d=0.5_00_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=0.5_00 2 | # lambda [Ang], CextBSA_sensorR80_2pz_d=0.5_00 3 | 3820.0 2705.85821929 4 | 3822.5 2860.69780952 5 | 3825.0 3016.41200586 6 | 3827.5 3169.86118673 7 | 3830.0 3317.83565817 8 | 3832.5 3456.30652860 9 | 3835.0 3580.94060000 10 | 3837.5 3687.83977584 11 | 3840.0 3772.48802124 12 | 3842.5 3831.52925881 13 | 3845.0 3862.35076905 14 | 3847.5 3863.45027750 15 | 3850.0 3834.79032512 16 | 3852.5 3777.45454322 17 | 3855.0 3694.21959051 18 | 3857.5 3588.32118176 19 | 3860.0 3463.67921364 20 | 3862.5 3325.09770672 21 | 3865.0 3176.22515532 22 | 3867.5 3021.63129720 23 | 3870.0 2864.58141105 24 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037/BSA_sensorR125_d=1_6030_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | 2 | # lambda [Ang], CextBSA_sensorR125_d=1_6030 3 | # lambda [Ang], CextBSA_sensorR125_d=1_6030 4 | 3820.0 12052.91743616 5 | 3822.5 12685.27844553 6 | 3825.0 13292.52172284 7 | 3827.5 13855.64479397 8 | 3830.0 14356.12285037 9 | 3832.5 14774.16299763 10 | 3835.0 15092.04283877 11 | 3837.5 15295.82054724 12 | 3840.0 15374.58631287 13 | 3842.5 15324.61049862 14 | 3845.0 15147.70945714 15 | 3847.5 14853.00327403 16 | 3850.0 14453.73054175 17 | 3852.5 13965.76080386 18 | 3855.0 13410.64844107 19 | 3857.5 12806.18433546 20 | 3860.0 12170.07253494 21 | 3862.5 11521.27835933 22 | 3865.0 10870.45455021 23 | 3867.5 10231.41427774 24 | 3870.0 9611.45154139 25 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_2pz/BSA_sensorR125_2pz_d=1_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | 2 | # lambda [Ang], CextBSA_sensorR125_2pz_d=1 3 | # lambda [Ang], CextBSA_sensorR125_2pz_d=1 4 | 3820.0 11632.64613184 5 | 3822.5 12256.25182879 6 | 3825.0 12861.30848122 7 | 3827.5 13430.20777477 8 | 3830.0 13945.66781878 9 | 3832.5 14388.56676965 10 | 3835.0 14740.75754822 11 | 3837.5 14987.68559539 12 | 3840.0 15116.66262412 13 | 3842.5 15121.67133896 14 | 3845.0 15001.90388770 15 | 3847.5 14763.49077678 16 | 3850.0 14417.27429655 17 | 3852.5 13977.13282150 18 | 3855.0 13463.24205821 19 | 3857.5 12892.76442422 20 | 3860.0 12283.31743620 21 | 3862.5 11654.23804582 22 | 3865.0 11017.01760340 23 | 3867.5 10386.21378877 24 | 3870.0 9770.13348229 25 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_3p/BSA_sensorR125_3prot_d=1_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_3prot_d=1 2 | # lambda [Ang], CextBSA_sensorR125_3prot_d=1 3 | 3820.0 11844.35643421 4 | 3822.5 12482.73335207 5 | 3825.0 13103.82915230 6 | 3827.5 13689.82095391 7 | 3830.0 14223.13526177 8 | 3832.5 14684.31049730 9 | 3835.0 15054.92582012 10 | 3837.5 15319.81534381 11 | 3840.0 15465.40224506 12 | 3842.5 15484.98418821 13 | 3845.0 15377.03595727 14 | 3847.5 15147.06980994 15 | 3850.0 14805.50366173 16 | 3852.5 14366.31581721 17 | 3855.0 13849.49589966 18 | 3857.5 13272.54759053 19 | 3860.0 12653.71882399 20 | 3862.5 12012.83816881 21 | 3865.0 11361.81451782 22 | 3867.5 10716.03730649 23 | 3870.0 10084.09820917 24 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_4p/BSA_sensorR125_4prot_d=1_00_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_4prot_d=1_00 2 | # lambda [Ang], CextBSA_sensorR125_4prot_d=1_00 3 | 3820.0 11034.00495246 4 | 3822.5 11648.13493791 5 | 3825.0 12255.16858830 6 | 3827.5 12840.09583302 7 | 3830.0 13387.77871383 8 | 3832.5 13880.23138432 9 | 3835.0 14299.80497848 10 | 3837.5 14630.87494137 11 | 3840.0 14857.74383136 12 | 3842.5 14970.45420177 13 | 3845.0 14963.31457456 14 | 3847.5 14836.76173847 15 | 3850.0 14596.45370580 16 | 3852.5 14252.18001935 17 | 3855.0 13820.26965392 18 | 3857.5 13316.56710102 19 | 3860.0 12758.22622449 20 | 3862.5 12165.02447654 21 | 3865.0 11549.93977768 22 | 3867.5 10929.31591636 23 | 3870.0 10313.44776387 24 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_3prot_d=1_00_ef0.0037/BSA_sensorR125_3prot_d=1_00_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | 2 | # lambda [Ang], CextBSA_sensorR125_3prot_d=1_00 3 | # lambda [Ang], CextBSA_sensorR125_3prot_d=1_00 4 | 3820.0 11455.17554178 5 | 3822.5 12088.79461387 6 | 3825.0 12713.55694553 7 | 3827.5 13313.38899749 8 | 3830.0 13872.39126660 9 | 3832.5 14371.84572656 10 | 3835.0 14793.43219070 11 | 3837.5 15121.15837408 12 | 3840.0 15339.27067196 13 | 3842.5 15438.13143417 14 | 3845.0 15412.55184741 15 | 3847.5 15263.79708328 16 | 3850.0 14998.49836324 17 | 3852.5 14627.70629839 18 | 3855.0 14169.04171690 19 | 3857.5 13638.95263688 20 | 3860.0 13055.17718876 21 | 3862.5 12437.97306926 22 | 3865.0 11800.65424525 23 | 3867.5 11159.62474587 24 | 3870.0 10525.26547347 25 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR125_d=1_6030_ef0.0037_2pz_00/BSA_sensorR125_2pz_d=1_00_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | 2 | # lambda [Ang], CextBSA_sensorR125_2pz_d=1_00 3 | # lambda [Ang], CextBSA_sensorR125_2pz_d=1_00 4 | 3820.0 11268.67446397 5 | 3822.5 11887.11820831 6 | 3825.0 12494.07661005 7 | 3827.5 13073.55144774 8 | 3830.0 13609.51814648 9 | 3832.5 14083.42843537 10 | 3835.0 14477.36719376 11 | 3837.5 14776.01370391 12 | 3840.0 14964.73155700 13 | 3842.5 15035.01800421 14 | 3845.0 14983.06193309 15 | 3847.5 14811.46991682 16 | 3850.0 14528.09833735 17 | 3852.5 14144.48872409 18 | 3855.0 13678.72889241 19 | 3857.5 13146.93826368 20 | 3860.0 12566.74638175 21 | 3862.5 11957.83642671 22 | 3865.0 11332.82594029 23 | 3867.5 10707.07974740 24 | 3870.0 10090.30865692 25 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/gold_data/wave_water_diel_ang_5170-5270-5.txt: -------------------------------------------------------------------------------- 1 | # lambda [ang], diel_real, diel_imag 2 | 5170.0 1.78041e+00 3.24934e-09 3 | 5175.0 1.78036e+00 3.26637e-09 4 | 5180.0 1.78030e+00 3.28340e-09 5 | 5185.0 1.78025e+00 3.30043e-09 6 | 5190.0 1.78020e+00 3.31745e-09 7 | 5195.0 1.78014e+00 3.33448e-09 8 | 5200.0 1.78009e+00 3.35151e-09 9 | 5205.0 1.78004e+00 3.36854e-09 10 | 5210.0 1.77998e+00 3.38556e-09 11 | 5215.0 1.77993e+00 3.40259e-09 12 | 5220.0 1.77988e+00 3.41962e-09 13 | 5225.0 1.77982e+00 3.43664e-09 14 | 5230.0 1.77977e+00 3.45367e-09 15 | 5235.0 1.77972e+00 3.47069e-09 16 | 5240.0 1.77966e+00 3.48771e-09 17 | 5245.0 1.77961e+00 3.50474e-09 18 | 5250.0 1.77956e+00 3.52176e-09 19 | 5255.0 1.77950e+00 3.55586e-09 20 | 5260.0 1.77945e+00 3.58995e-09 21 | 5265.0 1.77940e+00 3.62405e-09 22 | 5270.0 1.77934e+00 3.65814e-09 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/gold_data/wave_water_diel_ang_5172.5-5272.5-5.txt: -------------------------------------------------------------------------------- 1 | # lambda [ang], diel_real, diel_imag 2 | 5172.5 1.78038e+00 3.25785e-09 3 | 5177.5 1.78033e+00 3.27488e-09 4 | 5182.5 1.78028e+00 3.29191e-09 5 | 5187.5 1.78022e+00 3.30894e-09 6 | 5192.5 1.78017e+00 3.32597e-09 7 | 5197.5 1.78012e+00 3.34300e-09 8 | 5202.5 1.78006e+00 3.36002e-09 9 | 5207.5 1.78001e+00 3.37705e-09 10 | 5212.5 1.77996e+00 3.39408e-09 11 | 5217.5 1.77990e+00 3.41110e-09 12 | 5222.5 1.77985e+00 3.42813e-09 13 | 5227.5 1.77980e+00 3.44515e-09 14 | 5232.5 1.77974e+00 3.46218e-09 15 | 5237.5 1.77969e+00 3.47920e-09 16 | 5242.5 1.77964e+00 3.49623e-09 17 | 5247.5 1.77958e+00 3.51325e-09 18 | 5252.5 1.77953e+00 3.53881e-09 19 | 5257.5 1.77948e+00 3.57291e-09 20 | 5262.5 1.77942e+00 3.60700e-09 21 | 5267.5 1.77937e+00 3.64110e-09 22 | 5272.5 1.77932e+00 3.67519e-09 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/gold_data/wave_prot_diel_ang_5170-5270-5.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], diel_prot_real, diel_prot_imag 2 | 5170.0 2.71938e+00 2.01087e-01 3 | 5175.0 2.71931e+00 2.00873e-01 4 | 5180.0 2.71923e+00 2.00659e-01 5 | 5185.0 2.71916e+00 2.00446e-01 6 | 5190.0 2.71909e+00 2.00233e-01 7 | 5195.0 2.71902e+00 2.00021e-01 8 | 5200.0 2.71895e+00 1.99809e-01 9 | 5205.0 2.71888e+00 1.99597e-01 10 | 5210.0 2.71880e+00 1.99387e-01 11 | 5215.0 2.71873e+00 1.99176e-01 12 | 5220.0 2.71866e+00 1.98966e-01 13 | 5225.0 2.71859e+00 1.98757e-01 14 | 5230.0 2.71852e+00 1.98548e-01 15 | 5235.0 2.71845e+00 1.98339e-01 16 | 5240.0 2.71838e+00 1.98131e-01 17 | 5245.0 2.71831e+00 1.97923e-01 18 | 5250.0 2.71824e+00 1.97716e-01 19 | 5255.0 2.71817e+00 1.97509e-01 20 | 5260.0 2.71810e+00 1.97303e-01 21 | 5265.0 2.71803e+00 1.97097e-01 22 | 5270.0 2.71797e+00 1.96892e-01 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/gold_data/wave_prot_diel_ang_5172.5-5272.5-5.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], diel_prot_real, diel_prot_imag 2 | 5172.5 2.71934e+00 2.00980e-01 3 | 5177.5 2.71927e+00 2.00766e-01 4 | 5182.5 2.71920e+00 2.00552e-01 5 | 5187.5 2.71913e+00 2.00339e-01 6 | 5192.5 2.71905e+00 2.00127e-01 7 | 5197.5 2.71898e+00 1.99915e-01 8 | 5202.5 2.71891e+00 1.99703e-01 9 | 5207.5 2.71884e+00 1.99492e-01 10 | 5212.5 2.71877e+00 1.99281e-01 11 | 5217.5 2.71870e+00 1.99071e-01 12 | 5222.5 2.71863e+00 1.98861e-01 13 | 5227.5 2.71856e+00 1.98652e-01 14 | 5232.5 2.71849e+00 1.98443e-01 15 | 5237.5 2.71842e+00 1.98235e-01 16 | 5242.5 2.71835e+00 1.98027e-01 17 | 5247.5 2.71828e+00 1.97820e-01 18 | 5252.5 2.71821e+00 1.97613e-01 19 | 5257.5 2.71814e+00 1.97406e-01 20 | 5262.5 2.71807e+00 1.97200e-01 21 | 5267.5 2.71800e+00 1.96994e-01 22 | 5272.5 2.71793e+00 1.96789e-01 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/gold_data/wave_gold_diel_ang_5170-5270-5.txt: -------------------------------------------------------------------------------- 1 | # lambda [ang], diel_real, diel_imag 2 | 5170.0 -3.69848e+00 2.80236e+00 3 | 5175.0 -3.73021e+00 2.77478e+00 4 | 5180.0 -3.76185e+00 2.74704e+00 5 | 5185.0 -3.79340e+00 2.71913e+00 6 | 5190.0 -3.82486e+00 2.69106e+00 7 | 5195.0 -3.85622e+00 2.66282e+00 8 | 5200.0 -3.88749e+00 2.63441e+00 9 | 5205.0 -3.91867e+00 2.60584e+00 10 | 5210.0 -3.94992e+00 2.57975e+00 11 | 5215.0 -3.98236e+00 2.57379e+00 12 | 5220.0 -4.01486e+00 2.56772e+00 13 | 5225.0 -4.04744e+00 2.56157e+00 14 | 5230.0 -4.08008e+00 2.55532e+00 15 | 5235.0 -4.11279e+00 2.54898e+00 16 | 5240.0 -4.14556e+00 2.54255e+00 17 | 5245.0 -4.17841e+00 2.53602e+00 18 | 5250.0 -4.21132e+00 2.52941e+00 19 | 5255.0 -4.24430e+00 2.52269e+00 20 | 5260.0 -4.27735e+00 2.51589e+00 21 | 5265.0 -4.31046e+00 2.50899e+00 22 | 5270.0 -4.34365e+00 2.50200e+00 23 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/gold_data/wave_gold_diel_ang_5172.5-5272.5-5.txt: -------------------------------------------------------------------------------- 1 | # lambda [ang], diel_real, diel_imag 2 | 5172.5 -3.71436e+00 2.78859e+00 3 | 5177.5 -3.74605e+00 2.76093e+00 4 | 5182.5 -3.77764e+00 2.73311e+00 5 | 5187.5 -3.80914e+00 2.70512e+00 6 | 5192.5 -3.84055e+00 2.67696e+00 7 | 5197.5 -3.87187e+00 2.64864e+00 8 | 5202.5 -3.90310e+00 2.62015e+00 9 | 5207.5 -3.93423e+00 2.59149e+00 10 | 5212.5 -3.96613e+00 2.57678e+00 11 | 5217.5 -3.99860e+00 2.57077e+00 12 | 5222.5 -4.03114e+00 2.56466e+00 13 | 5227.5 -4.06375e+00 2.55846e+00 14 | 5232.5 -4.09642e+00 2.55216e+00 15 | 5237.5 -4.12917e+00 2.54578e+00 16 | 5242.5 -4.16198e+00 2.53930e+00 17 | 5247.5 -4.19486e+00 2.53273e+00 18 | 5252.5 -4.22780e+00 2.52606e+00 19 | 5257.5 -4.26082e+00 2.51930e+00 20 | 5262.5 -4.29390e+00 2.51245e+00 21 | 5267.5 -4.32705e+00 2.50551e+00 22 | 5272.5 -4.36027e+00 2.49847e+00 23 | -------------------------------------------------------------------------------- /gold_silver_water_raw-data/water_HQ72.txt: -------------------------------------------------------------------------------- 1 | #lambda [nm], refrac_index_real, refrac_index_imag 2 | 200 1.396 1.10E-7 3 | 225 1.373 4.90E-8 4 | 250 1.362 3.35E-8 5 | 275 1.354 2.35E-8 6 | 300 1.349 1.60E-8 7 | 325 1.346 1.08E-8 8 | 350 1.343 6.50E-9 9 | 375 1.341 3.50E-9 10 | 400 1.339 1.86E-9 11 | 425 1.338 1.30E-9 12 | 450 1.337 1.02E-9 13 | 475 1.336 9.35E-10 14 | 500 1.335 1.00E-9 15 | 525 1.334 1.32E-9 16 | 550 1.333 1.96E-9 17 | 575 1.333 3.60E-9 18 | 600 1.332 1.09E-8 19 | 625 1.332 1.39E-8 20 | 650 1.331 1.64E-8 21 | 675 1.331 2.23E-8 22 | 700 1.331 3.35E-8 23 | 725 1.330 9.15E-8 24 | 750 1.330 1.56E-7 25 | 775 1.330 1.48E-7 26 | 800 1.329 1.25E-7 27 | 825 1.329 1.82E-7 28 | 850 1.329 2.93E-7 29 | 875 1.328 3.91E-7 30 | 900 1.328 4.86E-7 31 | 925 1.328 1.06E-6 32 | 950 1.327 2.93E-6 33 | 975 1.327 3.48E-6 34 | 1000 1.327 2.89E-6 35 | 1200 1.324 9.89E-6 36 | 1400 1.321 1.38E-4 37 | 1600 1.317 8.55E-5 38 | 1800 1.312 1.15E-4 39 | 2000 1.306 1.10E-3 40 | -------------------------------------------------------------------------------- /reports/README.md: -------------------------------------------------------------------------------- 1 | # PyGBe on Localized Surface Plasmon Resonance (LSPR) 2 | 3 | This folder contains three Jupyter notebooks, reporting on preliminary results with PyGBe-LSPR. 4 | They include code verification of PyGBe's new LSPR feature using analytical solutions, and grid-convergence analysis. 5 | 6 | The three notebooks contain: 7 | 8 | 1. An introduction, giving an overview of PyGBE and LSPR computations of the scattered electromagnetic field on a detector. 9 | 2. Results for an isolated nanoparticle, computing the extinction cross-section as a function of wevelength for silver 10 | and gold spheres in water, and comparing with the analytical solution. 11 | 3. LSPR sensor response calculation for one spherical nanoparticle surrounded by six spherical "molecules," 12 | and grid-convergence study (using Richardson extrapolation). 13 | 14 | #### Please cite this report as: 15 | 16 | * Clementi, Natalia C.; D. Cooper, Christopher; Forsyth, Gilbert; Barba, Lorena A. (2017): 17 | PyGBe on Localized Surface Plasmon Resonance (LSPR). figshare. 18 | https://doi.org/10.6084/m9.figshare.4983311.v3 19 | -------------------------------------------------------------------------------- /gold_silver_water_raw-data/water_HQ72_ang.txt: -------------------------------------------------------------------------------- 1 | #lambda [Ang], refrac_index_real, refrac_index_imag 2 | 2000 1.396 1.10E-7 3 | 2250 1.373 4.90E-8 4 | 2500 1.362 3.35E-8 5 | 2750 1.354 2.35E-8 6 | 3000 1.349 1.60E-8 7 | 3250 1.346 1.08E-8 8 | 3500 1.343 6.50E-9 9 | 3750 1.341 3.50E-9 10 | 4000 1.339 1.86E-9 11 | 4250 1.338 1.30E-9 12 | 4500 1.337 1.02E-9 13 | 4750 1.336 9.35E-10 14 | 5000 1.335 1.00E-9 15 | 5250 1.334 1.32E-9 16 | 5500 1.333 1.96E-9 17 | 5750 1.333 3.60E-9 18 | 6000 1.332 1.09E-8 19 | 6250 1.332 1.39E-8 20 | 6500 1.331 1.64E-8 21 | 6750 1.331 2.23E-8 22 | 7000 1.331 3.35E-8 23 | 7250 1.330 9.15E-8 24 | 7500 1.330 1.56E-7 25 | 7750 1.330 1.48E-7 26 | 8000 1.329 1.25E-7 27 | 8250 1.329 1.82E-7 28 | 8500 1.329 2.93E-7 29 | 8750 1.328 3.91E-7 30 | 9000 1.328 4.86E-7 31 | 9250 1.328 1.06E-6 32 | 9500 1.327 2.93E-6 33 | 9750 1.327 3.48E-6 34 | 10000 1.327 2.89E-6 35 | 12000 1.324 9.89E-6 36 | 14000 1.321 1.38E-4 37 | 16000 1.317 8.55E-5 38 | 18000 1.312 1.15E-4 39 | 20000 1.306 1.10E-3 40 | -------------------------------------------------------------------------------- /data/wave_cext_d/wave_cext_d_infty_silver.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cext, d=infty 2 | 380.000 3887.15684191 3 | 380.500 4504.13480011 4 | 381.000 5217.80052917 5 | 381.500 6006.43887795 6 | 382.000 6642.47434442 7 | 382.500 7196.71820867 8 | 383.000 7591.67146051 9 | 383.500 7759.32132085 10 | 384.000 7666.83219625 11 | 384.500 7331.08322615 12 | 385.000 6811.24546234 13 | 385.500 6184.98256598 14 | 386.000 5524.19775449 15 | 386.500 4881.52166113 16 | 387.000 4288.20209900 17 | 387.500 3758.37908480 18 | 388.000 3294.93749518 19 | 388.500 2894.45275205 20 | 389.000 2550.56967816 21 | 389.500 2256.02279555 22 | 390.000 2003.71007466 23 | 390.500 1787.18906621 24 | 391.000 1600.84760016 25 | 391.500 1439.90987632 26 | 392.000 1300.36533431 27 | 392.500 1178.87014487 28 | 393.000 1072.64602971 29 | 393.500 979.38606006 30 | 394.000 897.17298386 31 | 394.500 824.41030464 32 | 395.000 759.76474883 33 | 395.500 702.11923571 34 | 396.000 650.53450897 35 | 396.500 604.21779682 36 | 397.000 562.49747901 37 | 397.500 524.84112397 38 | 398.000 490.83323962 39 | 398.500 459.91746448 40 | 399.000 431.73895485 41 | 399.500 405.99115612 42 | 400.000 382.40839429 43 | -------------------------------------------------------------------------------- /gold_silver_water_raw-data/gold_JC72.txt: -------------------------------------------------------------------------------- 1 | # energy [eV], refrac_index_real, refrac_index_imag 2 | 6.60 1.280 1.188 3 | 6.47 1.320 1.203 4 | 6.35 1.340 1.226 5 | 6.22 1.330 1.251 6 | 6.10 1.330 1.277 7 | 5.98 1.300 1.304 8 | 5.85 1.300 1.350 9 | 5.73 1.300 1.387 10 | 5.60 1.300 1.427 11 | 5.48 1.310 1.460 12 | 5.36 1.300 1.497 13 | 5.23 1.320 1.536 14 | 5.11 1.320 1.577 15 | 4.98 1.330 1.631 16 | 4.86 1.330 1.688 17 | 4.74 1.350 1.749 18 | 4.61 1.380 1.803 19 | 4.49 1.430 1.847 20 | 4.36 1.470 1.869 21 | 4.24 1.490 1.878 22 | 4.12 1.530 1.889 23 | 3.99 1.530 1.893 24 | 3.87 1.540 1.898 25 | 3.74 1.480 1.883 26 | 3.62 1.480 1.871 27 | 3.50 1.500 1.866 28 | 3.37 1.480 1.895 29 | 3.25 1.460 1.933 30 | 3.12 1.470 1.952 31 | 3.00 1.460 1.958 32 | 2.88 1.450 1.948 33 | 2.75 1.380 1.914 34 | 2.63 1.310 1.849 35 | 2.50 1.040 1.833 36 | 2.38 0.620 2.081 37 | 2.26 0.430 2.455 38 | 2.13 0.290 2.863 39 | 2.01 0.210 3.272 40 | 1.88 0.140 3.697 41 | 1.76 0.130 4.103 42 | 1.64 0.140 4.542 43 | 1.51 0.160 5.083 44 | 1.39 0.170 5.663 45 | 1.26 0.220 6.350 46 | 1.14 0.270 7.150 47 | 1.02 0.350 8.145 48 | 0.89 0.430 9.519 49 | 0.77 0.560 11.210 50 | 0.64 0.920 13.780 51 | -------------------------------------------------------------------------------- /data/wave_cext_d/multiple_sphere_d=1.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cextmultiple_sphere_d=1 2 | 380.000 2838.11615577 3 | 380.500 3237.51691511 4 | 381.000 3709.96808786 5 | 381.500 4261.98874877 6 | 382.000 4782.05755319 7 | 382.500 5334.13801255 8 | 383.000 5892.36660939 9 | 383.500 6416.76137354 10 | 384.000 6855.29872869 11 | 384.500 7152.47779265 12 | 385.000 7263.87259063 13 | 385.500 7171.09970127 14 | 386.000 6888.81075128 15 | 386.500 6459.16917069 16 | 387.000 5937.40019304 17 | 387.500 5376.73311804 18 | 388.000 4818.93928771 19 | 388.500 4291.55592487 20 | 389.000 3809.55470554 21 | 389.500 3378.73705278 22 | 390.000 2999.08093155 23 | 390.500 2667.33436747 24 | 391.000 2378.75468699 25 | 391.500 2128.16467372 26 | 392.000 1910.53076299 27 | 392.500 1721.24685545 28 | 393.000 1556.24123783 29 | 393.500 1411.98873296 30 | 394.000 1285.47534943 31 | 394.500 1174.14301301 32 | 395.000 1075.82899583 33 | 395.500 988.70763509 34 | 396.000 911.23778013 35 | 396.500 842.11693756 36 | 397.000 780.24226084 37 | 397.500 724.73471961 38 | 398.000 674.90203699 39 | 398.500 629.86049463 40 | 399.000 589.03524187 41 | 399.500 551.93215209 42 | 400.000 518.12508301 43 | -------------------------------------------------------------------------------- /data/wave_cext_d/multiple_sphere_d=2.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cextmultiple_sphere_d=4 2 | 380.000 3156.54612528 3 | 380.500 3623.40980137 4 | 381.000 4174.58546893 5 | 381.500 4812.57216928 6 | 382.000 5393.39069743 7 | 382.500 5985.48896692 8 | 383.000 6545.53792739 9 | 383.500 7015.65882851 10 | 384.000 7333.04328711 11 | 384.500 7447.18207387 12 | 385.000 7337.88395403 13 | 385.500 7023.44537826 14 | 386.000 6553.35776516 15 | 386.500 5990.54068244 16 | 387.000 5393.73819205 17 | 387.500 4807.33236942 18 | 388.000 4259.18056268 19 | 388.500 3763.28344778 20 | 389.000 3324.00448412 21 | 389.500 2939.90119388 22 | 390.000 2606.52162467 23 | 390.500 2318.19685895 24 | 391.000 2069.07187916 25 | 391.500 1853.63425926 26 | 392.000 1666.95423688 27 | 392.500 1504.73815375 28 | 393.000 1363.31798956 29 | 393.500 1239.59033631 30 | 394.000 1130.94050002 31 | 394.500 1035.17475564 32 | 395.000 950.45239222 33 | 395.500 875.22689167 34 | 396.000 808.19664760 35 | 396.500 748.26338299 36 | 397.000 694.50006166 37 | 397.500 646.16759680 38 | 398.000 602.68663977 39 | 398.500 563.30654810 40 | 399.000 527.54231852 41 | 399.500 494.97645915 42 | 400.000 465.24838150 43 | -------------------------------------------------------------------------------- /data/wave_cext_d/multiple_sphere_d=4-x.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cextmultiple_sphere_d=4-x 2 | 380.000 3575.48278640 3 | 380.500 4129.40421511 4 | 381.000 4777.41264560 5 | 381.500 5510.86574861 6 | 382.000 6138.60240025 7 | 382.500 6730.90643671 8 | 383.000 7221.80820675 9 | 383.500 7540.22521606 10 | 384.000 7631.17360943 11 | 384.500 7477.01559885 12 | 385.000 7105.15435026 13 | 385.500 6576.51472151 14 | 386.000 5963.06540471 15 | 386.500 5328.01765102 16 | 387.000 4716.16927606 17 | 387.500 4153.45636014 18 | 388.000 3651.18406813 19 | 388.500 3211.15891369 20 | 389.000 2829.89043154 21 | 389.500 2501.43954371 22 | 390.000 2219.12405690 23 | 390.500 1976.43075211 24 | 391.000 1767.44133684 25 | 391.500 1586.98440326 26 | 392.000 1430.63885909 27 | 392.500 1294.67583963 28 | 393.000 1175.97250665 29 | 393.500 1071.92254792 30 | 394.000 980.35284053 31 | 394.500 899.45018807 32 | 395.000 827.69895791 33 | 395.500 763.82899613 34 | 396.000 706.77260837 35 | 396.500 655.62926389 36 | 397.000 609.63671461 37 | 397.500 568.19010386 38 | 398.000 530.81637521 39 | 398.500 496.89074569 40 | 399.000 466.01265070 41 | 399.500 437.83655137 42 | 400.000 412.06339200 43 | -------------------------------------------------------------------------------- /data/wave_cext_d/multiple_sphere_d=4.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cextmultiple_sphere_d=4 2 | 380.000 3517.82948214 3 | 380.500 4060.07034515 4 | 381.000 4695.53492092 5 | 381.500 5417.58810835 6 | 382.000 6041.75345345 7 | 382.500 6638.25564474 8 | 383.000 7143.90891589 9 | 383.500 7488.31856017 10 | 384.000 7613.71190957 11 | 384.500 7496.49186002 12 | 385.000 7157.32412388 13 | 385.500 6652.45761509 14 | 386.000 6052.51957841 15 | 386.500 5422.05407489 16 | 387.000 4808.39471593 17 | 387.500 4240.01301752 18 | 388.000 3730.18716378 19 | 388.500 3282.03719805 20 | 389.000 2892.84345289 21 | 389.500 2557.06129058 22 | 390.000 2268.17271120 23 | 390.500 2019.69159053 24 | 391.000 1805.66086861 25 | 391.500 1620.83647558 26 | 392.000 1460.71787726 27 | 392.500 1321.49608628 28 | 393.000 1199.97512989 29 | 393.500 1093.48404005 30 | 394.000 999.79376249 31 | 394.500 917.04338433 32 | 395.000 843.67686647 33 | 395.500 778.38998028 34 | 396.000 720.08635812 35 | 396.500 667.84134275 36 | 397.000 620.87236318 37 | 397.500 578.55830820 38 | 398.000 540.41320052 39 | 398.500 505.79681720 40 | 399.000 474.29827063 41 | 399.500 445.56324495 42 | 400.000 419.28515860 43 | -------------------------------------------------------------------------------- /gold_silver_water_raw-data/silver_JC72.txt: -------------------------------------------------------------------------------- 1 | # energy [eV], refrac_index_real, refrac_index_imag 2 | 6.60 1.070 1.212 3 | 6.47 1.100 1.232 4 | 6.35 1.120 1.255 5 | 6.22 1.140 1.277 6 | 6.10 1.150 1.296 7 | 5.98 1.180 1.312 8 | 5.85 1.200 1.325 9 | 5.73 1.220 1.336 10 | 5.60 1.250 1.342 11 | 5.48 1.260 1.344 12 | 5.36 1.280 1.357 13 | 5.23 1.280 1.367 14 | 5.11 1.300 1.378 15 | 4.98 1.310 1.389 16 | 4.86 1.330 1.393 17 | 4.74 1.350 1.387 18 | 4.61 1.380 1.372 19 | 4.49 1.410 1.331 20 | 4.36 1.410 1.264 21 | 4.24 1.390 1.161 22 | 4.12 1.340 0.964 23 | 3.99 1.130 0.616 24 | 3.87 0.810 0.392 25 | 3.74 0.170 0.829 26 | 3.62 0.140 1.142 27 | 3.50 0.100 1.419 28 | 3.37 0.070 1.657 29 | 3.25 0.050 1.864 30 | 3.12 0.050 2.070 31 | 3.00 0.050 2.275 32 | 2.88 0.040 2.462 33 | 2.75 0.040 2.657 34 | 2.63 0.050 2.869 35 | 2.50 0.050 3.093 36 | 2.38 0.050 3.324 37 | 2.26 0.060 3.586 38 | 2.13 0.050 3.858 39 | 2.01 0.060 4.152 40 | 1.88 0.050 4.483 41 | 1.76 0.040 4.838 42 | 1.64 0.030 5.242 43 | 1.51 0.040 5.727 44 | 1.39 0.040 6.312 45 | 1.26 0.040 6.992 46 | 1.14 0.040 7.795 47 | 1.02 0.090 8.828 48 | 0.89 0.130 10.100 49 | 0.77 0.150 11.850 50 | 0.64 0.240 14.080 51 | -------------------------------------------------------------------------------- /data/wave_cext_d/multiple_sphere_d=0.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cextmultiple_sphere_d=2 2 | 380.000 2380.77742992 3 | 380.500 2678.69823669 4 | 381.000 3028.45410145 5 | 381.500 3436.86587789 6 | 382.000 3832.86326821 7 | 382.500 4267.34732516 8 | 383.000 4732.96036301 9 | 383.500 5215.02099975 10 | 384.000 5689.65445026 11 | 384.500 6123.46362013 12 | 385.000 6476.28101353 13 | 385.500 6707.95501849 14 | 386.000 6788.12342877 15 | 386.500 6705.30417507 16 | 387.000 6470.70233893 17 | 387.500 6114.55644983 18 | 388.000 5677.09751040 19 | 388.500 5198.71432553 20 | 389.000 4713.05917849 21 | 389.500 4244.21177439 22 | 390.000 3806.97322238 23 | 390.500 3408.74116573 24 | 391.000 3051.74053846 25 | 391.500 2734.96779999 26 | 392.000 2455.63650837 27 | 392.500 2210.14318870 28 | 393.000 1994.66673696 29 | 393.500 1805.50505276 30 | 394.000 1639.24679939 31 | 394.500 1492.84269394 32 | 395.000 1363.61717660 33 | 395.500 1249.24997686 34 | 396.000 1147.74405464 35 | 396.500 1057.38733788 36 | 397.000 976.71495819 37 | 397.500 904.54921647 38 | 398.000 839.95235742 39 | 398.500 781.74343895 40 | 399.000 729.14512067 41 | 399.500 681.48884251 42 | 400.000 638.19849194 43 | -------------------------------------------------------------------------------- /data/wave_cext_d/multiple_sphere_d=1-x.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cextmultiple_sphere_d=1-x 2 | 380.000 2974.95826444 3 | 380.500 3402.29569288 4 | 381.000 3907.33637928 5 | 381.500 4495.09417640 6 | 382.000 5040.78649831 7 | 382.500 5610.52313744 8 | 383.000 6171.30803102 9 | 383.500 6675.39287683 10 | 384.000 7065.20995689 11 | 384.500 7285.70073956 12 | 385.000 7301.16999673 13 | 385.500 7108.48754218 14 | 386.000 6738.38751773 15 | 386.500 6243.96706171 16 | 387.000 5683.72925686 17 | 387.500 5107.96697435 18 | 388.000 4552.48327405 19 | 388.500 4038.53837471 20 | 389.000 3575.96310896 21 | 389.500 3166.93873756 22 | 390.000 2809.17241256 23 | 390.500 2498.13727948 24 | 391.000 2228.47692673 25 | 391.500 1994.80184377 26 | 392.000 1792.09522015 27 | 392.500 1615.88395508 28 | 393.000 1462.27993037 29 | 393.500 1327.95488581 30 | 394.000 1210.08498648 31 | 394.500 1106.28634287 32 | 395.000 1014.55083935 33 | 395.500 933.18744414 34 | 396.000 860.77090570 35 | 396.500 796.09787349 36 | 397.000 738.14986632 37 | 397.500 686.11602190 38 | 398.000 639.35874519 39 | 398.500 597.05878200 40 | 399.000 558.68496716 41 | 399.500 523.77995376 42 | 400.000 491.94949584 43 | -------------------------------------------------------------------------------- /data/wave_cext_d/multiple_sphere_d=2-x.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cextmultiple_sphere_d=2-x 2 | 380.000 3261.79025200 3 | 380.500 3750.31470681 4 | 381.000 4326.00331384 5 | 381.500 4989.14008699 6 | 382.000 5584.35702053 7 | 382.500 6180.83152391 8 | 383.000 6729.26578265 9 | 383.500 7167.08951940 10 | 384.000 7431.11064209 11 | 384.500 7476.88266442 12 | 385.000 7295.64680824 13 | 385.500 6918.03986692 14 | 386.000 6401.91852977 15 | 386.500 5812.54708281 16 | 387.000 5206.22176015 17 | 387.500 4622.67665998 18 | 388.000 4085.03917768 19 | 388.500 3603.56140814 20 | 389.000 3180.04869647 21 | 389.500 2811.50950426 22 | 390.000 2492.66544973 23 | 390.500 2217.48014740 24 | 391.000 1980.00304145 25 | 391.500 1774.77269185 26 | 392.000 1596.97569205 27 | 392.500 1442.46780874 28 | 393.000 1307.72983788 29 | 393.500 1189.79684991 30 | 394.000 1086.18149863 31 | 394.500 994.80003174 32 | 395.000 913.90494184 33 | 395.500 842.03082143 34 | 396.000 777.94484016 35 | 396.500 720.60724989 36 | 397.000 669.13843161 37 | 397.500 622.83941455 38 | 398.000 581.16215173 39 | 398.500 543.39303992 40 | 399.000 509.07198153 41 | 399.500 477.80317407 42 | 400.000 449.24386883 43 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/p=6/BSA_sensorR125_d=infty_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3800.0 7032.56371516 3 | 3805.0 8145.40221021 4 | 3810.0 9455.48103081 5 | 3815.0 10947.47245722 6 | 3820.0 12234.96142801 7 | 3825.0 13455.00726682 8 | 3830.0 14468.08871466 9 | 3835.0 15120.99518936 10 | 3840.0 15297.00622066 11 | 3845.0 14959.39925020 12 | 3850.0 14171.71187698 13 | 3855.0 13065.69827425 14 | 3860.0 11795.82965320 15 | 3865.0 10495.00322573 16 | 3870.0 9253.75315687 17 | 3875.0 8120.11590281 18 | 3880.0 7115.52489203 19 | 3885.0 6241.58226952 20 | 3890.0 5487.66416506 21 | 3895.0 4840.87508052 22 | 3900.0 4286.88984724 23 | 3905.0 3812.62234684 24 | 3910.0 3405.01670915 25 | 3915.0 3053.92120149 26 | 3920.0 2750.50791014 27 | 3925.0 2486.81029393 28 | 3930.0 2256.97398595 29 | 3935.0 2055.80545764 30 | 3940.0 1879.07304214 31 | 3945.0 1722.97093620 32 | 3950.0 1584.67194568 33 | 3955.0 1461.73528904 34 | 3960.0 1351.90976945 35 | 3965.0 1253.50867538 36 | 3970.0 1165.08417351 37 | 3975.0 1085.51947272 38 | 3980.0 1013.72601145 39 | 3985.0 948.59378609 40 | 3990.0 889.39359914 41 | 3995.0 835.32737061 42 | 4000.0 785.89933950 43 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/p=6/BSA_sensorR125_d=1_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_d=1 2 | 3800.0 6751.89573152 3 | 3805.0 7804.20125108 4 | 3810.0 9047.22789440 5 | 3815.0 10474.65612738 6 | 3820.0 11734.41386086 7 | 3825.0 12963.65569527 8 | 3830.0 14038.70323324 9 | 3835.0 14812.35937395 10 | 3840.0 15156.31022268 11 | 3845.0 15004.08071693 12 | 3850.0 14383.62833040 13 | 3855.0 13401.38252258 14 | 3860.0 12203.42594004 15 | 3865.0 10928.87707828 16 | 3870.0 9681.18953272 17 | 3875.0 8521.39571722 18 | 3880.0 7481.04403831 19 | 3885.0 6568.43722057 20 | 3890.0 5776.78000681 21 | 3895.0 5095.15302729 22 | 3900.0 4510.01985671 23 | 3905.0 4008.45475961 24 | 3910.0 3577.14605875 25 | 3915.0 3205.60126951 26 | 3920.0 2884.59780882 27 | 3925.0 2605.74790174 28 | 3930.0 2362.86153589 29 | 3935.0 2150.43112246 30 | 3940.0 1963.95373159 31 | 3945.0 1799.38454243 32 | 3950.0 1653.71145767 33 | 3955.0 1524.32968887 34 | 3960.0 1408.84622021 35 | 3965.0 1305.46298453 36 | 3970.0 1212.63772645 37 | 3975.0 1129.17894458 38 | 3980.0 1053.93049381 39 | 3985.0 985.71383138 40 | 3990.0 923.75426151 41 | 3995.0 867.20699398 42 | 4000.0 815.54484380 43 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/p=6/BSA_sensorR125_d=2_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_d=2 2 | 3800.0 6832.48020223 3 | 3805.0 7902.36310759 4 | 3810.0 9165.07588712 5 | 3815.0 10611.91119624 6 | 3820.0 11880.96298888 7 | 3825.0 13109.41874863 8 | 3830.0 14168.83290442 9 | 3835.0 14909.70050689 10 | 3840.0 15206.27634432 11 | 3845.0 15000.11868148 12 | 3850.0 14329.54274743 13 | 3855.0 13308.93988490 14 | 3860.0 12087.59003912 15 | 3865.0 10803.33596813 16 | 3870.0 9556.06333885 17 | 3875.0 8402.98798171 18 | 3880.0 7372.58136298 19 | 3885.0 6471.05590509 20 | 3890.0 5690.38835371 21 | 3895.0 5019.00594004 22 | 3900.0 4443.08991482 23 | 3905.0 3949.63870075 24 | 3910.0 3525.39685841 25 | 3915.0 3159.96388122 26 | 3920.0 2844.22618951 27 | 3925.0 2569.91923149 28 | 3930.0 2330.94869081 29 | 3935.0 2121.89934623 30 | 3940.0 1938.35026289 31 | 3945.0 1776.32663813 32 | 3950.0 1632.87069366 33 | 3955.0 1505.42813077 34 | 3960.0 1391.64749070 35 | 3965.0 1289.76371818 36 | 3970.0 1198.26367162 37 | 3975.0 1115.97766382 38 | 3980.0 1041.76930522 39 | 3985.0 974.48195353 40 | 3990.0 913.35376078 41 | 3995.0 857.55419785 42 | 4000.0 806.56548311 43 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/p=6/BSA_sensorR125_d=4_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR125_d=4 2 | 3800.0 6924.42574955 3 | 3805.0 8014.09857096 4 | 3810.0 9298.73501339 5 | 3815.0 10766.69797622 6 | 3820.0 12044.84659853 7 | 3825.0 13270.33946553 8 | 3830.0 14309.51064396 9 | 3835.0 15010.82446018 10 | 3840.0 15252.26758338 11 | 3845.0 14985.12804256 12 | 3850.0 14259.43694901 13 | 3855.0 13197.98034906 14 | 3860.0 11952.86048312 15 | 3865.0 10659.89993949 16 | 3870.0 9414.73636511 17 | 3875.0 8270.29354471 18 | 3880.0 7251.70122154 19 | 3885.0 6362.95224230 20 | 3890.0 5594.75821361 21 | 3895.0 4934.89013856 22 | 3900.0 4369.27071166 23 | 3905.0 3884.84325373 24 | 3910.0 3468.43721707 25 | 3915.0 3109.76399109 26 | 3920.0 2799.84128409 27 | 3925.0 2530.54258591 28 | 3930.0 2295.88607322 29 | 3935.0 2090.56033329 30 | 3940.0 1910.23283396 31 | 3945.0 1751.00854598 32 | 3950.0 1609.99097593 33 | 3955.0 1484.67939954 34 | 3960.0 1372.76958512 35 | 3965.0 1272.53344028 36 | 3970.0 1182.48893831 37 | 3975.0 1101.49073989 38 | 3980.0 1028.42547996 39 | 3985.0 962.15855706 40 | 3990.0 901.94315321 41 | 3995.0 846.96436569 42 | 4000.0 796.71476399 43 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=0.5_2pz_GOLD/GOLD_BSA_sensorR80_d=infty_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | # lambda [Ang], Cext, d=infty 3 | 5170.0 198.43158377 4 | 5172.5 199.18772785 5 | 5175.0 199.94116648 6 | 5177.5 200.68768396 7 | 5180.0 201.42903413 8 | 5182.5 202.16648134 9 | 5185.0 202.89674484 10 | 5187.5 203.61975635 11 | 5190.0 204.33858923 12 | 5192.5 205.04822972 13 | 5195.0 205.75008640 14 | 5197.5 206.44580238 15 | 5200.0 207.13168982 16 | 5202.5 207.80744374 17 | 5205.0 208.47689396 18 | 5207.5 209.13381064 19 | 5210.0 209.57050904 20 | 5212.5 209.29962575 21 | 5215.0 209.01085950 22 | 5217.5 208.70746638 23 | 5220.0 208.39148164 24 | 5222.5 208.05675605 25 | 5225.0 207.70710212 26 | 5227.5 207.34442743 27 | 5230.0 206.96449156 28 | 5232.5 206.56922600 29 | 5235.0 206.16041823 30 | 5237.5 205.73395750 31 | 5240.0 205.29302536 32 | 5242.5 204.83868142 33 | 5245.0 204.36751781 34 | 5247.5 203.88023734 35 | 5250.0 203.38120729 36 | 5252.5 202.86513981 37 | 5255.0 202.33387848 38 | 5257.5 201.79003440 39 | 5260.0 201.22907401 40 | 5262.5 200.65387765 41 | 5265.0 200.06686229 42 | 5267.5 199.46215504 43 | 5270.0 198.84395953 44 | 5272.5 198.20975267 45 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR80_d=0.5_2pz_GOLD/GOLD_BSA_sensorR80_2pz_d=0.5_00_ef0.0037_total.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], CextBSA_sensorR80_2pz_d=0.5_00 2 | # lambda [Ang], CextBSA_sensorR80_2pz_d=0.5_00 3 | 5170.0 201.56172157 4 | 5172.5 202.36351930 5 | 5175.0 203.16332957 6 | 5177.5 203.95536925 7 | 5180.0 204.74468610 8 | 5182.5 205.53088340 9 | 5185.0 206.31071095 10 | 5187.5 207.08410289 11 | 5190.0 207.85406094 12 | 5192.5 208.61567429 13 | 5195.0 209.37035477 14 | 5197.5 210.11963967 15 | 5200.0 210.86000765 16 | 5202.5 211.59104918 17 | 5205.0 212.31658282 18 | 5207.5 213.03046520 19 | 5210.0 213.51990511 20 | 5212.5 213.28511563 21 | 5215.0 213.03218100 22 | 5217.5 212.76435565 23 | 5220.0 212.48356213 24 | 5222.5 212.18375825 25 | 5225.0 211.86866511 26 | 5227.5 211.54015372 27 | 5230.0 211.19403628 28 | 5232.5 210.83220793 29 | 5235.0 210.45635880 30 | 5237.5 210.06248933 31 | 5240.0 209.65367362 32 | 5242.5 209.23099053 33 | 5245.0 208.79182473 34 | 5247.5 208.33526777 35 | 5250.0 207.86638430 36 | 5252.5 207.38004108 37 | 5255.0 206.87792648 38 | 5257.5 206.36267245 39 | 5260.0 205.82972037 40 | 5262.5 205.28201174 41 | 5265.0 204.72180231 42 | 5267.5 204.14337401 43 | 5270.0 203.55084914 44 | 5272.5 202.94573969 45 | -------------------------------------------------------------------------------- /gold_silver_water_raw-data/gold_JC72_ang.txt: -------------------------------------------------------------------------------- 1 | # lambda [ang], refrac_index_real, refrac_index_imag 2 | 1878.5484454 1.28 1.188 3 | 1916.2936228 1.32 1.203 4 | 1952.5070456 1.34 1.226 5 | 1993.3150706 1.33 1.251 6 | 2032.5278261 1.33 1.277 7 | 2073.3143377 1.3 1.304 8 | 2119.3879896 1.3 1.35 9 | 2163.7730784 1.3 1.387 10 | 2214.0035249 1.3 1.427 11 | 2262.4853539 1.31 1.46 12 | 2313.1380111 1.3 1.497 13 | 2370.6347494 1.32 1.536 14 | 2426.3052328 1.32 1.577 15 | 2489.6425179 1.33 1.631 16 | 2551.1151727 1.33 1.688 17 | 2615.700367 1.35 1.749 18 | 2689.4619825 1.38 1.803 19 | 2761.3406992 1.43 1.847 20 | 2843.6742521 1.47 1.869 21 | 2924.1555989 1.49 1.878 22 | 3009.3251795 1.53 1.889 23 | 3107.3733683 1.53 1.893 24 | 3203.7260308 1.54 1.898 25 | 3315.0854918 1.48 1.883 26 | 3424.9778286 1.48 1.871 27 | 3542.4056398 1.5 1.866 28 | 3679.0563025 1.48 1.895 29 | 3814.8983813 1.46 1.933 30 | 3973.8524806 1.47 1.952 31 | 4132.8065798 1.46 1.958 32 | 4305.0068539 1.45 1.948 33 | 4508.5162689 1.38 1.914 34 | 4714.2280378 1.31 1.849 35 | 4959.3678957 1.04 1.833 36 | 5209.4200586 0.62 2.081 37 | 5486.0264333 0.43 2.455 38 | 5820.8543377 0.29 2.863 39 | 6168.3680295 0.21 3.272 40 | 6594.9041167 0.14 3.697 41 | 7044.5566701 0.13 4.103 42 | 7560.0120362 0.14 4.542 43 | 8210.8739996 0.16 5.083 44 | 8919.7264312 0.17 5.663 45 | 9840.0156662 0.22 6.35 46 | 10875.8067889 0.27 7.15 47 | 12155.31347 0.35 8.145 48 | 13930.8086959 0.43 9.519 49 | 16101.8438174 0.56 11.21 50 | 19372.5308428 0.92 13.78 51 | -------------------------------------------------------------------------------- /gold_silver_water_raw-data/silver_JC72_ang.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], refrac_index_real, refrac_index_imag 2 | 1878.5484454 1.07 1.212 3 | 1916.2936228 1.1 1.232 4 | 1952.5070456 1.12 1.255 5 | 1993.3150706 1.14 1.277 6 | 2032.5278261 1.15 1.296 7 | 2073.3143377 1.18 1.312 8 | 2119.3879896 1.2 1.325 9 | 2163.7730784 1.22 1.336 10 | 2214.0035249 1.25 1.342 11 | 2262.4853539 1.26 1.344 12 | 2313.1380111 1.28 1.357 13 | 2370.6347494 1.28 1.367 14 | 2426.3052328 1.3 1.378 15 | 2489.6425179 1.31 1.389 16 | 2551.1151727 1.33 1.393 17 | 2615.700367 1.35 1.387 18 | 2689.4619825 1.38 1.372 19 | 2761.3406992 1.41 1.331 20 | 2843.6742521 1.41 1.264 21 | 2924.1555989 1.39 1.161 22 | 3009.3251795 1.34 0.964 23 | 3107.3733683 1.13 0.616 24 | 3203.7260308 0.81 0.392 25 | 3315.0854918 0.17 0.829 26 | 3424.9778286 0.14 1.142 27 | 3542.4056398 0.1 1.419 28 | 3679.0563025 0.07 1.657 29 | 3814.8983813 0.05 1.864 30 | 3973.8524806 0.05 2.07 31 | 4132.8065798 0.05 2.275 32 | 4305.0068539 0.04 2.462 33 | 4508.5162689 0.04 2.657 34 | 4714.2280378 0.05 2.869 35 | 4959.3678957 0.05 3.093 36 | 5209.4200586 0.05 3.324 37 | 5486.0264333 0.06 3.586 38 | 5820.8543377 0.05 3.858 39 | 6168.3680295 0.06 4.152 40 | 6594.9041167 0.05 4.483 41 | 7044.5566701 0.04 4.838 42 | 7560.0120362 0.03 5.242 43 | 8210.8739996 0.04 5.727 44 | 8919.7264312 0.04 6.312 45 | 9840.0156662 0.04 6.992 46 | 10875.8067889 0.04 7.795 47 | 12155.31347 0.09 8.828 48 | 13930.8086959 0.13 10.1 49 | 16101.8438174 0.15 11.85 50 | 19372.5308428 0.24 14.08 51 | 52 | -------------------------------------------------------------------------------- /paper/silver_spherical_NP_verification/data/silver_sphere_R8nm_w370-400.txt: -------------------------------------------------------------------------------- 1 | # lambda [Ang], Cext, d=infty 2 | 3700.0 290.08821212 3 | 3705.0 307.33769397 4 | 3710.0 326.35424121 5 | 3715.0 347.40224811 6 | 3720.0 370.75417850 7 | 3725.0 396.77739546 8 | 3730.0 425.90182999 9 | 3735.0 458.65673727 10 | 3740.0 495.59481600 11 | 3745.0 537.56609055 12 | 3750.0 585.41462972 13 | 3755.0 640.31733635 14 | 3760.0 703.61756215 15 | 3765.0 777.12788444 16 | 3770.0 863.00694927 17 | 3775.0 963.93930648 18 | 3780.0 1083.26253354 19 | 3785.0 1225.29830522 20 | 3790.0 1395.16223793 21 | 3795.0 1598.72972504 22 | 3800.0 1843.14855038 23 | 3805.0 2134.80370507 24 | 3810.0 2478.16529052 25 | 3815.0 2869.23070486 26 | 3820.0 3206.74517569 27 | 3825.0 3526.63812570 28 | 3830.0 3792.34920159 29 | 3835.0 3963.70963971 30 | 3840.0 4010.09400027 31 | 3845.0 3921.82871748 32 | 3850.0 3715.52629995 33 | 3855.0 3425.70348168 34 | 3860.0 3092.85612386 35 | 3865.0 2751.83956664 36 | 3870.0 2426.40773047 37 | 3875.0 2129.17045166 38 | 3880.0 1865.75821544 39 | 3885.0 1636.59711131 40 | 3890.0 1438.90563103 41 | 3895.0 1269.29841705 42 | 3900.0 1124.03303877 43 | 3905.0 999.67144282 44 | 3910.0 892.79028838 45 | 3915.0 800.72760149 46 | 3920.0 721.16868354 47 | 3925.0 652.02401609 48 | 3930.0 591.75863578 49 | 3935.0 539.01062632 50 | 3940.0 492.67030209 51 | 3945.0 451.73966384 52 | 3950.0 415.47732912 53 | 3955.0 383.24325055 54 | 3960.0 354.44710516 55 | 3965.0 328.64659075 56 | 3970.0 305.46176457 57 | 3975.0 284.60036521 58 | 3980.0 265.77663855 59 | 3985.0 248.69952546 60 | 3990.0 233.17781648 61 | 3995.0 219.00224586 62 | 4000.0 206.04281604 63 | -------------------------------------------------------------------------------- /gold_silver_water_raw-data/gold_JC72_nm.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], refrac_index_real, refrac_index_imag 2 | 187.85484454 1.280e+00 1.188e+00 3 | 191.62936228 1.320e+00 1.203e+00 4 | 195.25070456 1.340e+00 1.226e+00 5 | 199.33150706 1.330e+00 1.251e+00 6 | 203.25278261 1.330e+00 1.277e+00 7 | 207.33143377 1.300e+00 1.304e+00 8 | 211.93879896 1.300e+00 1.350e+00 9 | 216.37730784 1.300e+00 1.387e+00 10 | 221.40035249 1.300e+00 1.427e+00 11 | 226.24853539 1.310e+00 1.460e+00 12 | 231.31380111 1.300e+00 1.497e+00 13 | 237.06347494 1.320e+00 1.536e+00 14 | 242.63052328 1.320e+00 1.577e+00 15 | 248.96425179 1.330e+00 1.631e+00 16 | 255.11151727 1.330e+00 1.688e+00 17 | 261.57003670 1.350e+00 1.749e+00 18 | 268.94619825 1.380e+00 1.803e+00 19 | 276.13406992 1.430e+00 1.847e+00 20 | 284.36742521 1.470e+00 1.869e+00 21 | 292.41555989 1.490e+00 1.878e+00 22 | 300.93251795 1.530e+00 1.889e+00 23 | 310.73733683 1.530e+00 1.893e+00 24 | 320.37260308 1.540e+00 1.898e+00 25 | 331.50854918 1.480e+00 1.883e+00 26 | 342.49778286 1.480e+00 1.871e+00 27 | 354.24056398 1.500e+00 1.866e+00 28 | 367.90563025 1.480e+00 1.895e+00 29 | 381.48983813 1.460e+00 1.933e+00 30 | 397.38524806 1.470e+00 1.952e+00 31 | 413.28065798 1.460e+00 1.958e+00 32 | 430.50068539 1.450e+00 1.948e+00 33 | 450.85162689 1.380e+00 1.914e+00 34 | 471.42280378 1.310e+00 1.849e+00 35 | 495.93678957 1.040e+00 1.833e+00 36 | 520.94200586 6.200e-01 2.081e+00 37 | 548.60264333 4.300e-01 2.455e+00 38 | 582.08543377 2.900e-01 2.863e+00 39 | 616.83680295 2.100e-01 3.272e+00 40 | 659.49041167 1.400e-01 3.697e+00 41 | 704.45566701 1.300e-01 4.103e+00 42 | 756.00120362 1.400e-01 4.542e+00 43 | 821.08739996 1.600e-01 5.083e+00 44 | 891.97264312 1.700e-01 5.663e+00 45 | 984.00156662 2.200e-01 6.350e+00 46 | 1087.58067889 2.700e-01 7.150e+00 47 | 1215.53134700 3.500e-01 8.145e+00 48 | 1393.08086959 4.300e-01 9.519e+00 49 | 1610.18438174 5.600e-01 1.121e+01 50 | 1937.25308428 9.200e-01 1.378e+01 51 | -------------------------------------------------------------------------------- /gold_silver_water_raw-data/silver_JC72_nm.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], refrac_index_real, refrac_index_imag 2 | 187.85484454 1.070e+00 1.212e+00 3 | 191.62936228 1.100e+00 1.232e+00 4 | 195.25070456 1.120e+00 1.255e+00 5 | 199.33150706 1.140e+00 1.277e+00 6 | 203.25278261 1.150e+00 1.296e+00 7 | 207.33143377 1.180e+00 1.312e+00 8 | 211.93879896 1.200e+00 1.325e+00 9 | 216.37730784 1.220e+00 1.336e+00 10 | 221.40035249 1.250e+00 1.342e+00 11 | 226.24853539 1.260e+00 1.344e+00 12 | 231.31380111 1.280e+00 1.357e+00 13 | 237.06347494 1.280e+00 1.367e+00 14 | 242.63052328 1.300e+00 1.378e+00 15 | 248.96425179 1.310e+00 1.389e+00 16 | 255.11151727 1.330e+00 1.393e+00 17 | 261.57003670 1.350e+00 1.387e+00 18 | 268.94619825 1.380e+00 1.372e+00 19 | 276.13406992 1.410e+00 1.331e+00 20 | 284.36742521 1.410e+00 1.264e+00 21 | 292.41555989 1.390e+00 1.161e+00 22 | 300.93251795 1.340e+00 9.640e-01 23 | 310.73733683 1.130e+00 6.160e-01 24 | 320.37260308 8.100e-01 3.920e-01 25 | 331.50854918 1.700e-01 8.290e-01 26 | 342.49778286 1.400e-01 1.142e+00 27 | 354.24056398 1.000e-01 1.419e+00 28 | 367.90563025 7.000e-02 1.657e+00 29 | 381.48983813 5.000e-02 1.864e+00 30 | 397.38524806 5.000e-02 2.070e+00 31 | 413.28065798 5.000e-02 2.275e+00 32 | 430.50068539 4.000e-02 2.462e+00 33 | 450.85162689 4.000e-02 2.657e+00 34 | 471.42280378 5.000e-02 2.869e+00 35 | 495.93678957 5.000e-02 3.093e+00 36 | 520.94200586 5.000e-02 3.324e+00 37 | 548.60264333 6.000e-02 3.586e+00 38 | 582.08543377 5.000e-02 3.858e+00 39 | 616.83680295 6.000e-02 4.152e+00 40 | 659.49041167 5.000e-02 4.483e+00 41 | 704.45566701 4.000e-02 4.838e+00 42 | 756.00120362 3.000e-02 5.242e+00 43 | 821.08739996 4.000e-02 5.727e+00 44 | 891.97264312 4.000e-02 6.312e+00 45 | 984.00156662 4.000e-02 6.992e+00 46 | 1087.58067889 4.000e-02 7.795e+00 47 | 1215.53134700 9.000e-02 8.828e+00 48 | 1393.08086959 1.300e-01 1.010e+01 49 | 1610.18438174 1.500e-01 1.185e+01 50 | 1937.25308428 2.400e-01 1.408e+01 51 | -------------------------------------------------------------------------------- /paper/silver_spherical_NP_verification/data/wave_water_diel_3700-4000.txt: -------------------------------------------------------------------------------- 1 | # lambda [ang], diel_real, diel_imag 2 | 3700.0 1.79935e+00 1.09995e-08 3 | 3705.0 1.79925e+00 1.08382e-08 4 | 3710.0 1.79914e+00 1.06769e-08 5 | 3715.0 1.79903e+00 1.05156e-08 6 | 3720.0 1.79892e+00 1.03544e-08 7 | 3725.0 1.79882e+00 1.01931e-08 8 | 3730.0 1.79871e+00 1.00319e-08 9 | 3735.0 1.79860e+00 9.87064e-09 10 | 3740.0 1.79850e+00 9.70942e-09 11 | 3745.0 1.79839e+00 9.54820e-09 12 | 3750.0 1.79828e+00 9.38700e-09 13 | 3755.0 1.79817e+00 9.29875e-09 14 | 3760.0 1.79807e+00 9.21051e-09 15 | 3765.0 1.79796e+00 9.12227e-09 16 | 3770.0 1.79785e+00 9.03404e-09 17 | 3775.0 1.79774e+00 8.94582e-09 18 | 3780.0 1.79764e+00 8.85760e-09 19 | 3785.0 1.79753e+00 8.76938e-09 20 | 3790.0 1.79742e+00 8.68117e-09 21 | 3795.0 1.79732e+00 8.59297e-09 22 | 3800.0 1.79721e+00 8.50477e-09 23 | 3805.0 1.79710e+00 8.41657e-09 24 | 3810.0 1.79699e+00 8.32838e-09 25 | 3815.0 1.79689e+00 8.24020e-09 26 | 3820.0 1.79678e+00 8.15202e-09 27 | 3825.0 1.79667e+00 8.06385e-09 28 | 3830.0 1.79656e+00 7.97568e-09 29 | 3835.0 1.79646e+00 7.88752e-09 30 | 3840.0 1.79635e+00 7.79936e-09 31 | 3845.0 1.79624e+00 7.71120e-09 32 | 3850.0 1.79614e+00 7.62306e-09 33 | 3855.0 1.79603e+00 7.53492e-09 34 | 3860.0 1.79592e+00 7.44678e-09 35 | 3865.0 1.79581e+00 7.35865e-09 36 | 3870.0 1.79571e+00 7.27052e-09 37 | 3875.0 1.79560e+00 7.18240e-09 38 | 3880.0 1.79549e+00 7.09428e-09 39 | 3885.0 1.79539e+00 7.00617e-09 40 | 3890.0 1.79528e+00 6.91807e-09 41 | 3895.0 1.79517e+00 6.82997e-09 42 | 3900.0 1.79506e+00 6.74187e-09 43 | 3905.0 1.79496e+00 6.65378e-09 44 | 3910.0 1.79485e+00 6.56570e-09 45 | 3915.0 1.79474e+00 6.47762e-09 46 | 3920.0 1.79464e+00 6.38955e-09 47 | 3925.0 1.79453e+00 6.30148e-09 48 | 3930.0 1.79442e+00 6.21342e-09 49 | 3935.0 1.79431e+00 6.12536e-09 50 | 3940.0 1.79421e+00 6.03730e-09 51 | 3945.0 1.79410e+00 5.94926e-09 52 | 3950.0 1.79399e+00 5.86121e-09 53 | 3955.0 1.79389e+00 5.77318e-09 54 | 3960.0 1.79378e+00 5.68515e-09 55 | 3965.0 1.79367e+00 5.59712e-09 56 | 3970.0 1.79356e+00 5.50910e-09 57 | 3975.0 1.79346e+00 5.42108e-09 58 | 3980.0 1.79335e+00 5.33307e-09 59 | 3985.0 1.79324e+00 5.24507e-09 60 | 3990.0 1.79314e+00 5.15706e-09 61 | 3995.0 1.79303e+00 5.06907e-09 62 | 4000.0 1.79292e+00 4.98108e-09 63 | -------------------------------------------------------------------------------- /paper/silver_spherical_NP_verification/data/wave_silver_diel_3700-4000.txt: -------------------------------------------------------------------------------- 1 | # lambda [ang], diel_real, diel_imag 2 | 3700.0 -2.84795e+00 2.26032e-01 3 | 3705.0 -2.87385e+00 2.24554e-01 4 | 3710.0 -2.89985e+00 2.23054e-01 5 | 3715.0 -2.92598e+00 2.21531e-01 6 | 3720.0 -2.95221e+00 2.19985e-01 7 | 3725.0 -2.97857e+00 2.18417e-01 8 | 3730.0 -3.00503e+00 2.16827e-01 9 | 3735.0 -3.03162e+00 2.15214e-01 10 | 3740.0 -3.05831e+00 2.13579e-01 11 | 3745.0 -3.08513e+00 2.11922e-01 12 | 3750.0 -3.11205e+00 2.10242e-01 13 | 3755.0 -3.13909e+00 2.08539e-01 14 | 3760.0 -3.16625e+00 2.06814e-01 15 | 3765.0 -3.19352e+00 2.05067e-01 16 | 3770.0 -3.22091e+00 2.03297e-01 17 | 3775.0 -3.24841e+00 2.01505e-01 18 | 3780.0 -3.27603e+00 1.99690e-01 19 | 3785.0 -3.30376e+00 1.97853e-01 20 | 3790.0 -3.33161e+00 1.95994e-01 21 | 3795.0 -3.35957e+00 1.94112e-01 22 | 3800.0 -3.38765e+00 1.92207e-01 23 | 3805.0 -3.41584e+00 1.90281e-01 24 | 3810.0 -3.44415e+00 1.88331e-01 25 | 3815.0 -3.47249e+00 1.86413e-01 26 | 3820.0 -3.49669e+00 1.87061e-01 27 | 3825.0 -3.52097e+00 1.87709e-01 28 | 3830.0 -3.54534e+00 1.88357e-01 29 | 3835.0 -3.56979e+00 1.89005e-01 30 | 3840.0 -3.59433e+00 1.89653e-01 31 | 3845.0 -3.61895e+00 1.90301e-01 32 | 3850.0 -3.64365e+00 1.90949e-01 33 | 3855.0 -3.66844e+00 1.91597e-01 34 | 3860.0 -3.69332e+00 1.92245e-01 35 | 3865.0 -3.71827e+00 1.92893e-01 36 | 3870.0 -3.74331e+00 1.93541e-01 37 | 3875.0 -3.76844e+00 1.94189e-01 38 | 3880.0 -3.79365e+00 1.94837e-01 39 | 3885.0 -3.81894e+00 1.95485e-01 40 | 3890.0 -3.84431e+00 1.96133e-01 41 | 3895.0 -3.86977e+00 1.96781e-01 42 | 3900.0 -3.89532e+00 1.97429e-01 43 | 3905.0 -3.92095e+00 1.98077e-01 44 | 3910.0 -3.94666e+00 1.98725e-01 45 | 3915.0 -3.97245e+00 1.99373e-01 46 | 3920.0 -3.99833e+00 2.00021e-01 47 | 3925.0 -4.02430e+00 2.00669e-01 48 | 3930.0 -4.05035e+00 2.01317e-01 49 | 3935.0 -4.07648e+00 2.01965e-01 50 | 3940.0 -4.10270e+00 2.02613e-01 51 | 3945.0 -4.12900e+00 2.03261e-01 52 | 3950.0 -4.15538e+00 2.03909e-01 53 | 3955.0 -4.18185e+00 2.04557e-01 54 | 3960.0 -4.20840e+00 2.05205e-01 55 | 3965.0 -4.23504e+00 2.05853e-01 56 | 3970.0 -4.26176e+00 2.06501e-01 57 | 3975.0 -4.28853e+00 2.07148e-01 58 | 3980.0 -4.31529e+00 2.07793e-01 59 | 3985.0 -4.34213e+00 2.08438e-01 60 | 3990.0 -4.36905e+00 2.09083e-01 61 | 3995.0 -4.39606e+00 2.09727e-01 62 | 4000.0 -4.42315e+00 2.10372e-01 63 | -------------------------------------------------------------------------------- /data/lambda_Cext_Cext_an_error_silver.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cext, Cext_analytical, error - (Mesh of 2K elements) 2 | 203.25278261 437.80659564 440.79533751 0.00678034 3 | 207.33143377 427.03471610 430.04250058 0.00699416 4 | 211.93879896 416.49853848 419.49938569 0.00715340 5 | 216.37730784 405.62062952 408.60471044 0.00730310 6 | 221.40035249 389.28881276 392.22158766 0.00747734 7 | 226.24853539 378.07407914 380.95017709 0.00754980 8 | 231.31380111 367.89635416 370.74561791 0.00768523 9 | 237.06347494 361.23561651 364.05228893 0.00773700 10 | 242.63052328 350.15455585 352.93026486 0.00786475 11 | 248.96425179 340.81654690 343.55043437 0.00795775 12 | 255.11151727 328.06700666 330.73070497 0.00805398 13 | 261.57003670 313.33707163 315.89983328 0.00811258 14 | 268.94619825 294.27263657 296.69744120 0.00817265 15 | 276.13406992 271.73778720 273.97030416 0.00814876 16 | 284.36742521 250.36270321 252.37236127 0.00796307 17 | 292.41555989 225.61004463 227.34704189 0.00764029 18 | 300.93251795 183.72915034 185.03892430 0.00707837 19 | 310.73733683 114.97246279 115.66180684 0.00596000 20 | 320.37260308 65.37486636 65.69241651 0.00483389 21 | 331.50854918 55.33015181 55.42007087 0.00162250 22 | 342.49778286 97.37026356 97.24162509 0.00132287 23 | 354.24056398 174.83596723 173.54959930 0.00741211 24 | 367.90563025 466.04763395 455.65727254 0.02280302 25 | 381.48983813 5993.15755943 5623.24043969 0.06578362 26 | 397.38524806 533.12426636 562.89972270 0.05289656 27 | 413.28065798 117.34294091 121.17365648 0.03161344 28 | 430.50068539 40.85730893 41.90343110 0.02496507 29 | 450.85162689 21.44759636 21.91671058 0.02140441 30 | 471.42280378 15.48561730 15.78799890 0.01915262 31 | 495.93678957 9.57285867 9.74497567 0.01766213 32 | 520.94200586 6.28511670 6.39140002 0.01662911 33 | 548.60264333 4.99588918 5.07615416 0.01581216 34 | 582.08543377 2.84789992 2.89190122 0.01521535 35 | 616.83680295 2.37492061 2.41044869 0.01473920 36 | 659.49041167 1.36499556 1.38485991 0.01434394 37 | 704.45566701 0.76632592 0.77723104 0.01403074 38 | 756.00120362 0.39893862 0.40450545 0.01376207 39 | 821.08739996 0.35732915 0.36222787 0.01352388 40 | 891.97264312 0.23506226 0.23823443 0.01331531 41 | 984.00156662 0.15150395 0.15352011 0.01313287 42 | 1087.58067889 0.09631120 0.09757680 0.01297031 43 | 1215.53134700 0.13088829 0.13258656 0.01280876 44 | 1393.08086959 0.12129084 0.12280973 0.01236783 45 | 1610.18438174 0.07192428 0.07282044 0.01230633 46 | 1937.25308428 0.11530495 0.11657487 0.01089365 47 | -------------------------------------------------------------------------------- /data/lambda_Cext_Cext_an_error_silver_8K.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cext, Cext_analytical, error - (Mesh of 8K elements) 2 | 203.25278261 440.03810696 440.79533751 0.00171787 3 | 207.33143377 429.27926255 430.04250058 0.00177480 4 | 211.93879896 418.73707253 419.49938569 0.00181720 5 | 216.37730784 407.84589242 408.60471044 0.00185710 6 | 221.40035249 391.47496703 392.22158766 0.00190357 7 | 226.24853539 380.21764527 380.95017709 0.00192291 8 | 231.31380111 370.01932028 370.74561791 0.00195902 9 | 237.06347494 363.33409042 364.05228893 0.00197279 10 | 242.63052328 352.22197803 352.93026486 0.00200687 11 | 248.96425179 342.85245142 343.55043437 0.00203168 12 | 255.11151727 330.05026521 330.73070497 0.00205738 13 | 261.57003670 315.24494841 315.89983328 0.00207308 14 | 268.94619825 296.07758009 296.69744120 0.00208920 15 | 276.13406992 273.39963163 273.97030416 0.00208297 16 | 284.36742521 251.85914247 252.37236127 0.00203358 17 | 292.41555989 226.90423723 227.34704189 0.00194770 18 | 300.93251795 184.70615575 185.03892430 0.00179837 19 | 310.73733683 115.48813506 115.66180684 0.00150155 20 | 320.37260308 65.61336906 65.69241651 0.00120330 21 | 331.50854918 55.40019326 55.42007087 0.00035867 22 | 342.49778286 97.28031815 97.24162509 0.00039791 23 | 354.24056398 173.89321355 173.54959930 0.00197992 24 | 367.90563025 458.41752940 455.65727254 0.00605775 25 | 381.48983813 5722.69408703 5623.24043969 0.01768618 26 | 397.38524806 554.82437690 562.89972270 0.01434598 27 | 413.28065798 120.15120171 121.17365648 0.00843793 28 | 430.50068539 41.62603467 41.90343110 0.00661990 29 | 450.85162689 21.79284307 21.91671058 0.00565174 30 | 471.42280378 15.70840315 15.78799890 0.00504154 31 | 495.93678957 9.69977067 9.74497567 0.00463880 32 | 520.94200586 6.36353446 6.39140002 0.00435985 33 | 548.60264333 5.05514150 5.07615416 0.00413948 34 | 582.08543377 2.88039541 2.89190122 0.00397863 35 | 616.83680295 2.40116767 2.41044869 0.00385033 36 | 659.49041167 1.37967514 1.38485991 0.00374389 37 | 704.45566701 0.77438676 0.77723104 0.00365950 38 | 756.00120362 0.40305442 0.40450545 0.00358718 39 | 821.08739996 0.36095181 0.36222787 0.00352281 40 | 891.97264312 0.23740863 0.23823443 0.00346630 41 | 984.00156662 0.15299560 0.15352011 0.00341650 42 | 1087.58067889 0.09724772 0.09757680 0.00337252 43 | 1215.53134700 0.13214536 0.13258656 0.00332759 44 | 1393.08086959 0.12241627 0.12280973 0.00320383 45 | 1610.18438174 0.07258852 0.07282044 0.00318477 46 | 1937.25308428 0.11624825 0.11657487 0.00280178 47 | -------------------------------------------------------------------------------- /data/lambda_Cext_Cext_an_error_gold.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cext, Cext_analytical, error - (Mesh of 2K elements) 2 | 203.25278261 383.52907384 386.41918616 0.00747922 3 | 207.33143377 391.73408685 394.68125210 0.00746720 4 | 211.93879896 397.19309423 400.24971207 0.00763678 5 | 216.37730784 399.46149298 402.59690980 0.00778798 6 | 221.40035249 400.80418355 404.02161767 0.00796352 7 | 226.24853539 396.99106878 400.25317856 0.00815012 8 | 231.31380111 400.10814910 403.44950733 0.00828197 9 | 237.06347494 392.20588978 395.57817099 0.00852494 10 | 242.63052328 390.82648207 394.26514572 0.00872170 11 | 248.96425179 386.27902773 389.79237795 0.00901339 12 | 255.11151727 384.69065865 388.30171648 0.00929962 13 | 261.57003670 374.77083359 378.42142680 0.00964690 14 | 268.94619825 358.24158958 361.84704548 0.00996403 15 | 276.13406992 335.27727655 338.74202092 0.01022827 16 | 284.36742521 314.57248431 317.86609581 0.01036163 17 | 292.41555989 300.27544623 303.43746085 0.01042065 18 | 300.93251795 281.67282800 284.66001289 0.01049387 19 | 310.73733683 272.37407231 275.26902668 0.01051682 20 | 320.37260308 261.61198607 264.40067740 0.01054722 21 | 331.50854918 265.07048025 267.87531978 0.01047069 22 | 342.49778286 255.75687981 258.45216490 0.01042856 23 | 354.24056398 242.50986454 245.06479401 0.01042553 24 | 367.90563025 237.69443128 240.22747836 0.01054437 25 | 381.48983813 233.17947897 235.70342977 0.01070816 26 | 397.38524806 221.52480205 223.94286553 0.01079768 27 | 413.28065798 214.55606319 216.90467811 0.01082787 28 | 430.50068539 207.51479403 209.77815719 0.01078932 29 | 450.85162689 210.29840797 212.55884476 0.01063440 30 | 471.42280378 213.17514332 215.39098527 0.01028753 31 | 495.93678957 264.99630492 267.66677934 0.00997686 32 | 520.94200586 403.44847946 409.29279864 0.01427907 33 | 548.60264333 218.37671073 222.79264634 0.01982083 34 | 582.08543377 66.65056559 67.90632132 0.01849247 35 | 616.83680295 23.36342708 23.75984707 0.01668445 36 | 659.49041167 8.36452758 8.49632013 0.01551172 37 | 704.45566701 4.69592771 4.76644012 0.01479352 38 | 756.00120362 3.15297849 3.19863971 0.01427520 39 | 821.08739996 2.17684146 2.20741435 0.01385009 40 | 891.97264312 1.44647991 1.46634277 0.01354585 41 | 984.00156662 1.14215587 1.15754972 0.01329865 42 | 1087.58067889 0.85113873 0.86244072 0.01310466 43 | 1215.53134700 0.64450322 0.65294906 0.01293492 44 | 1393.08086959 0.43234874 0.43790805 0.01269515 45 | 1610.18438174 0.28646790 0.29012644 0.01261016 46 | 1937.25308428 0.26246919 0.26561865 0.01185704 47 | -------------------------------------------------------------------------------- /data/lambda_Cext_Cext_an_error_gold_8K.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cext, Cext_analytical, error - (Mesh of 8K elements) 2 | 203.25278261 385.68327420 386.41918616 0.00190444 3 | 207.33143377 393.93092038 394.68125210 0.00190111 4 | 211.93879896 399.47075796 400.24971207 0.00194617 5 | 216.37730784 401.79719649 402.59690980 0.00198639 6 | 221.40035249 403.20020353 404.02161767 0.00203309 7 | 226.24853539 399.41952462 400.25317856 0.00208282 8 | 231.31380111 402.59504847 403.44950733 0.00211788 9 | 237.06347494 394.71473816 395.57817099 0.00218271 10 | 242.63052328 393.38389562 394.26514572 0.00223517 11 | 248.96425179 388.89078064 389.79237795 0.00231302 12 | 255.11151727 387.37390049 388.30171648 0.00238942 13 | 261.57003670 377.48208303 378.42142680 0.00248227 14 | 268.94619825 360.91812620 361.84704548 0.00256716 15 | 276.13406992 337.84841679 338.74202092 0.00263801 16 | 284.36742521 317.01618042 317.86609581 0.00267382 17 | 292.41555989 302.62131441 303.43746085 0.00268967 18 | 300.93251795 283.88876224 284.66001289 0.00270937 19 | 310.73733683 274.52152789 275.26902668 0.00271552 20 | 320.37260308 263.68053309 264.40067740 0.00272369 21 | 331.50854918 267.15123880 267.87531978 0.00270305 22 | 342.49778286 257.75646826 258.45216490 0.00269178 23 | 354.24056398 244.40531856 245.06479401 0.00269102 24 | 367.90563025 239.57339047 240.22747836 0.00272279 25 | 381.48983813 235.05133478 235.70342977 0.00276659 26 | 397.38524806 223.31793123 223.94286553 0.00279060 27 | 413.28065798 216.29763611 216.90467811 0.00279866 28 | 430.50068539 209.19322515 209.77815719 0.00278834 29 | 450.85162689 211.97502843 212.55884476 0.00274661 30 | 471.42280378 214.81944361 215.39098527 0.00265351 31 | 495.93678957 266.97917592 267.66677934 0.00256888 32 | 520.94200586 407.77080642 409.29279864 0.00371859 33 | 548.60264333 221.62967166 222.79264634 0.00521999 34 | 582.08543377 67.57611406 67.90632132 0.00486269 35 | 616.83680295 23.65590356 23.75984707 0.00437476 36 | 659.49041167 8.46183790 8.49632013 0.00405849 37 | 704.45566701 4.74801794 4.76644012 0.00386498 38 | 756.00120362 3.18672363 3.19863971 0.00372536 39 | 821.08739996 2.19944382 2.20741435 0.00361080 40 | 891.97264312 1.46116851 1.46634277 0.00352868 41 | 984.00156662 1.15354245 1.15754972 0.00346186 42 | 1087.58067889 0.85950070 0.86244072 0.00340895 43 | 1215.53134700 0.65075393 0.65294906 0.00336186 44 | 1393.08086959 0.43646483 0.43790805 0.00329572 45 | 1610.18438174 0.28917924 0.29012644 0.00326480 46 | 1937.25308428 0.26480881 0.26561865 0.00304886 47 | -------------------------------------------------------------------------------- /data/wave_cext_d/wave_water_diel.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], diel_real, diel_imag 2 | 380.000 1.797208359999999949e+00 8.504766399999999046e-09 3 | 380.500 1.797101113599999911e+00 8.416571903999999984e-09 4 | 381.000 1.796993870399999915e+00 8.328382655999999816e-09 5 | 381.500 1.796886630399999740e+00 8.240198655999998541e-09 6 | 382.000 1.796779393600000274e+00 8.152019904000001123e-09 7 | 382.500 1.796672160000000185e+00 8.063846399999999290e-09 8 | 383.000 1.796564929599999916e+00 7.975678143999999660e-09 9 | 383.500 1.796457702399999912e+00 7.887515136000000577e-09 10 | 384.000 1.796350478399999728e+00 7.799357375999998733e-09 11 | 384.500 1.796243257599999588e+00 7.711204863999999092e-09 12 | 385.000 1.796136040000000156e+00 7.623057599999999999e-09 13 | 385.500 1.796028825600000101e+00 7.534915583999999799e-09 14 | 386.000 1.795921614399999866e+00 7.446778815999999320e-09 15 | 386.500 1.795814406399999896e+00 7.358647296000000216e-09 16 | 387.000 1.795707201599999747e+00 7.270521023999999179e-09 17 | 387.500 1.795599999999999641e+00 7.182399999999998689e-09 18 | 388.000 1.795492801600000021e+00 7.094284223999999575e-09 19 | 388.500 1.795385606400000000e+00 7.006173696000000181e-09 20 | 389.000 1.795278414399999800e+00 6.918068415999999681e-09 21 | 389.500 1.795171225599999865e+00 6.829968383999999729e-09 22 | 390.000 1.795064039999999750e+00 6.741873599999999498e-09 23 | 390.500 1.794956857600000122e+00 6.653784063999999815e-09 24 | 391.000 1.794849678400000093e+00 6.565699775999999025e-09 25 | 391.500 1.794742502399999884e+00 6.477620735999999610e-09 26 | 392.000 1.794635329599999940e+00 6.389546943999999089e-09 27 | 392.500 1.794528159999999817e+00 6.301478399999999943e-09 28 | 393.000 1.794420993599999736e+00 6.213415103999999691e-09 29 | 393.500 1.794313830400000143e+00 6.125357055999999987e-09 30 | 394.000 1.794206670399999926e+00 6.037304255999999176e-09 31 | 394.500 1.794099513599999973e+00 5.949256703999999740e-09 32 | 395.000 1.793992359999999842e+00 5.861214399999999198e-09 33 | 395.500 1.793885209599999753e+00 5.773177344000000031e-09 34 | 396.000 1.793778062400000151e+00 5.685145536000000585e-09 35 | 396.500 1.793670918400000147e+00 5.597118976000000032e-09 36 | 397.000 1.793563777599999964e+00 5.509097663999999200e-09 37 | 397.500 1.793456639999999824e+00 5.421081599999999744e-09 38 | 398.000 1.793349505599999727e+00 5.333070783999999181e-09 39 | 398.500 1.793242374399999672e+00 5.245065215999999993e-09 40 | 399.000 1.793135246400000105e+00 5.157064896000000525e-09 41 | 399.500 1.793028121599999913e+00 5.069069823999999952e-09 42 | 400.000 1.792920999999999987e+00 4.981079999999999926e-09 43 | -------------------------------------------------------------------------------- /data/wave_cext_d/wave_prot_diel.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], diel_prot_real, diel_prot_imag 2 | 380.000 2.751434851700644835e+00 2.860230708531996124e-01 3 | 380.500 2.751247889252036671e+00 2.855731442237102735e-01 4 | 381.000 2.751061732946115779e+00 2.851247284438815921e-01 5 | 381.500 2.750876377719201571e+00 2.846778155245165420e-01 6 | 382.000 2.750691818550296652e+00 2.842323975350568577e-01 7 | 382.500 2.750508050460622300e+00 2.837884666030242031e-01 8 | 383.000 2.750325068513153504e+00 2.833460149134653938e-01 9 | 383.500 2.750142867812160663e+00 2.829050347084062222e-01 10 | 384.000 2.749961443502757952e+00 2.824655182863105018e-01 11 | 384.500 2.749780790770462335e+00 2.820274580015463828e-01 12 | 385.000 2.749600904840752591e+00 2.815908462638587184e-01 13 | 385.500 2.749421780978636765e+00 2.811556755378474826e-01 14 | 386.000 2.749243414488224957e+00 2.807219383424528480e-01 15 | 386.500 2.749065800712312324e+00 2.802896272504458719e-01 16 | 387.000 2.748888935031959413e+00 2.798587348879253978e-01 17 | 387.500 2.748712812866085375e+00 2.794292539338206760e-01 18 | 388.000 2.748537429671064736e+00 2.790011771194002010e-01 19 | 388.500 2.748362780940325045e+00 2.785744972277856002e-01 20 | 389.000 2.748188862203959193e+00 2.781492070934719618e-01 21 | 389.500 2.748015669028333718e+00 2.777252996018531039e-01 22 | 390.000 2.747843197015707339e+00 2.773027676887525050e-01 23 | 390.500 2.747671441803853920e+00 2.768816043399600635e-01 24 | 391.000 2.747500399065688548e+00 2.764618025907734644e-01 25 | 391.500 2.747330064508901604e+00 2.760433555255451532e-01 26 | 392.000 2.747160433875594165e+00 2.756262562772349156e-01 27 | 392.500 2.746991502941922292e+00 2.752104980269668988e-01 28 | 393.000 2.746823267517740419e+00 2.747960740035917948e-01 29 | 393.500 2.746655723446256747e+00 2.743829774832542978e-01 30 | 394.000 2.746488866603685075e+00 2.739712017889655016e-01 31 | 394.500 2.746322692898908180e+00 2.735607402901794050e-01 32 | 395.000 2.746157198273140754e+00 2.731515864023755236e-01 33 | 395.500 2.745992378699598557e+00 2.727437335866444990e-01 34 | 396.000 2.745828230183173346e+00 2.723371753492799807e-01 35 | 396.500 2.745664748760108242e+00 2.719319052413735061e-01 36 | 397.000 2.745501930497679766e+00 2.715279168584157632e-01 37 | 397.500 2.745339771493885639e+00 2.711252038399005193e-01 38 | 398.000 2.745178267877131706e+00 2.707237598689338776e-01 39 | 398.500 2.745017415805927286e+00 2.703235786718474754e-01 40 | 399.000 2.744857211468581415e+00 2.699246540178167897e-01 41 | 399.500 2.744697651082905754e+00 2.695269797184818850e-01 42 | 400.000 2.744538730895919265e+00 2.691305496275749332e-01 43 | -------------------------------------------------------------------------------- /data/wave_cext_d/wave_silver_diel.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], diel_real, diel_imag 2 | 380.000 -3.387652048823318385e+00 1.922074608344178093e-01 3 | 380.500 -3.415844613291489473e+00 1.902806440428994050e-01 4 | 381.000 -3.444152196559086221e+00 1.883313919605790476e-01 5 | 381.500 -3.472486976118106750e+00 1.864131694950253992e-01 6 | 382.000 -3.496687582219679680e+00 1.870611553000697258e-01 7 | 382.500 -3.520972165441959234e+00 1.877091411051139969e-01 8 | 383.000 -3.545340725784946745e+00 1.883571269101582679e-01 9 | 383.500 -3.569793263248642212e+00 1.890051127152025667e-01 10 | 384.000 -3.594329777833046080e+00 1.896530985202468655e-01 11 | 384.500 -3.618950269538157016e+00 1.903010843252911366e-01 12 | 385.000 -3.643654738363975465e+00 1.909490701303354354e-01 13 | 385.500 -3.668443184310501870e+00 1.915970559353797065e-01 14 | 386.000 -3.693315607377735788e+00 1.922450417404240053e-01 15 | 386.500 -3.718272007565678994e+00 1.928930275454683041e-01 16 | 387.000 -3.743312384874328380e+00 1.935410133505125752e-01 17 | 387.500 -3.768436739303686167e+00 1.941889991555568740e-01 18 | 388.000 -3.793645070853751466e+00 1.948369849606011450e-01 19 | 388.500 -3.818937379524524278e+00 1.954849707656454161e-01 20 | 389.000 -3.844313665316005935e+00 1.961329565706897426e-01 21 | 389.500 -3.869773928228194659e+00 1.967809423757340137e-01 22 | 390.000 -3.895318168261090896e+00 1.974289281807782848e-01 23 | 390.500 -3.920946385414695090e+00 1.980769139858225836e-01 24 | 391.000 -3.946658579689008128e+00 1.987248997908668824e-01 25 | 391.500 -3.972454751084027791e+00 1.993728855959111534e-01 26 | 392.000 -3.998334899599754966e+00 2.000208714009554523e-01 27 | 392.500 -4.024299025236190097e+00 2.006688572059997233e-01 28 | 393.000 -4.050347127993332741e+00 2.013168430110440221e-01 29 | 393.500 -4.076479207871184229e+00 2.019648288160882932e-01 30 | 394.000 -4.102695264869742786e+00 2.026128146211325642e-01 31 | 394.500 -4.128995298989011076e+00 2.032608004261768908e-01 32 | 395.000 -4.155379310228984657e+00 2.039087862312211896e-01 33 | 395.500 -4.181847298589667083e+00 2.045567720362654607e-01 34 | 396.000 -4.208399264071056578e+00 2.052047578413097595e-01 35 | 396.500 -4.235035206673154029e+00 2.058527436463540305e-01 36 | 397.000 -4.261755126395959437e+00 2.065007294513983016e-01 37 | 397.500 -4.288529114388348162e+00 2.071479933378150839e-01 38 | 398.000 -4.315286168766465202e+00 2.077928335811046745e-01 39 | 398.500 -4.342126386932455340e+00 2.084376738243942373e-01 40 | 399.000 -4.369049768886318574e+00 2.090825140676838001e-01 41 | 399.500 -4.396056314628053130e+00 2.097273543109733351e-01 42 | 400.000 -4.423146024157662559e+00 2.103721945542628979e-01 43 | -------------------------------------------------------------------------------- /data/wave_cext_d/zoom_gold/multiple_sphere_d=1_g_h.txt: -------------------------------------------------------------------------------- 1 | 500.000 291.22461857 2 | 500.500 293.92632450 3 | 501.000 296.65719257 4 | 501.500 299.41723806 5 | 502.000 302.20643930 6 | 502.500 305.02473429 7 | 503.000 307.87201677 8 | 503.500 310.74813243 9 | 504.000 313.65287550 10 | 504.500 316.58598199 11 | 505.000 319.54712511 12 | 505.500 322.53592292 13 | 506.000 325.55190134 14 | 506.500 328.59452335 15 | 507.000 331.66316295 16 | 507.500 334.75710509 17 | 508.000 337.87552657 18 | 508.500 341.01750233 19 | 509.000 344.18204168 20 | 509.500 347.36792417 21 | 510.000 350.57391186 22 | 510.500 353.79854439 23 | 511.000 357.04023441 24 | 511.500 360.29728130 25 | 512.000 363.56773385 26 | 512.500 366.84949542 27 | 513.000 370.14029228 28 | 513.500 373.43757873 29 | 514.000 376.73861466 30 | 514.500 380.04047954 31 | 515.000 383.33989727 32 | 515.500 386.63337839 33 | 516.000 389.91718202 34 | 516.500 393.18717111 35 | 517.000 396.43900099 36 | 517.500 399.66790102 37 | 518.000 402.86875086 38 | 518.500 406.03617834 39 | 519.000 409.16431056 40 | 519.500 412.24686200 41 | 520.000 415.27722704 42 | 520.500 418.24822989 43 | 521.000 420.72750327 44 | 521.500 419.86881048 45 | 522.000 418.88740405 46 | 522.500 417.78274286 47 | 523.000 416.55441519 48 | 523.500 415.20234198 49 | 524.000 413.72652815 50 | 524.500 412.12723863 51 | 525.000 410.40495626 52 | 525.500 408.56031119 53 | 526.000 406.59425042 54 | 526.500 404.50782459 55 | 527.000 402.30241580 56 | 527.500 399.97946791 57 | 528.000 397.54078563 58 | 528.500 394.98828365 59 | 529.000 392.32411071 60 | 529.500 389.55052362 61 | 530.000 386.67009441 62 | 530.500 383.68548866 63 | 531.000 380.59955209 64 | 531.500 377.41533004 65 | 532.000 374.13599551 66 | 532.500 370.76483283 67 | 533.000 367.30534724 68 | 533.500 363.76099035 69 | 534.000 360.13551730 70 | 534.500 356.43270842 71 | 535.000 352.65640510 72 | 535.500 348.81054048 73 | 536.000 344.89900838 74 | 536.500 340.92602189 75 | 537.000 336.89555234 76 | 537.500 332.81170840 77 | 538.000 328.67865741 78 | 538.500 324.50049211 79 | 539.000 320.28132043 80 | 539.500 316.02525867 81 | 540.000 311.73631421 82 | 540.500 307.41856492 83 | 541.000 303.07600277 84 | 541.500 298.71247315 85 | 542.000 294.33187981 86 | 542.500 289.93798465 87 | 543.000 285.53447724 88 | 543.500 281.12497030 89 | 544.000 276.71297722 90 | 544.500 272.30189341 91 | 545.000 267.89504382 92 | 545.500 263.49562531 93 | 546.000 259.10671895 94 | 546.500 254.73130099 95 | 547.000 250.37222510 96 | 547.500 246.03222545 97 | 548.000 241.71391179 98 | 548.500 237.41978711 99 | 549.000 233.56550054 100 | 549.500 229.85551216 101 | 550.000 226.18482795 102 | 550.500 222.57426492 103 | 551.000 219.00355370 -------------------------------------------------------------------------------- /data/wave_cext_d/zoom_gold/wave_cext_d_infty_g_h.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cext, d=infty 2 | 500.000 284.93739259 3 | 500.500 287.50792330 4 | 501.000 290.10390784 5 | 501.500 292.72521349 6 | 502.000 295.37166441 7 | 502.500 298.04303800 8 | 503.000 300.73906115 9 | 503.500 303.45940593 10 | 504.000 306.20368541 11 | 504.500 308.97144888 12 | 505.000 311.76217688 13 | 505.500 314.57527586 14 | 506.000 317.41007287 15 | 506.500 320.26580888 16 | 507.000 323.14163308 17 | 507.500 326.03659589 18 | 508.000 328.94964181 19 | 508.500 331.87960191 20 | 509.000 334.82518583 21 | 509.500 337.78497341 22 | 510.000 340.75740576 23 | 510.500 343.74077599 24 | 511.000 346.73321951 25 | 511.500 349.73270353 26 | 512.000 352.73701663 27 | 512.500 355.74375735 28 | 513.000 358.75032277 29 | 513.500 361.75389623 30 | 514.000 364.75143498 31 | 514.500 367.73965713 32 | 515.000 370.71502904 33 | 515.500 373.67373252 34 | 516.000 376.61172431 35 | 516.500 379.52461401 36 | 517.000 382.40772152 37 | 517.500 385.25604539 38 | 518.000 388.06424895 39 | 518.500 390.82664676 40 | 519.000 393.53719159 41 | 519.500 396.18946195 42 | 520.000 398.77665043 43 | 520.500 401.29155331 44 | 521.000 403.32347412 45 | 521.500 402.18024673 46 | 522.000 400.91953142 47 | 522.500 399.54129591 48 | 523.000 398.04570144 49 | 523.500 396.43310536 50 | 524.000 394.70406272 51 | 524.500 392.85932731 52 | 525.000 390.89985167 53 | 525.500 388.82678640 54 | 526.000 386.64147861 55 | 526.500 384.34546942 56 | 527.000 381.94049083 57 | 527.500 379.42846160 58 | 528.000 376.81148237 59 | 528.500 374.09183000 60 | 529.000 371.27195128 61 | 529.500 368.35445575 62 | 530.000 365.34210793 63 | 530.500 362.23781905 64 | 531.000 359.04463803 65 | 531.500 355.76574206 66 | 532.000 352.40442674 67 | 532.500 348.96409581 68 | 533.000 345.44825048 69 | 533.500 341.86047876 70 | 534.000 338.20444430 71 | 534.500 334.48387525 72 | 535.000 330.70255318 73 | 535.500 326.86430174 74 | 536.000 322.97297570 75 | 536.500 319.03244989 76 | 537.000 315.04660844 77 | 537.500 311.01933427 78 | 538.000 306.95449884 79 | 538.500 302.85595227 80 | 539.000 298.72751388 81 | 539.500 294.57296305 82 | 540.000 290.39603064 83 | 540.500 286.20039090 84 | 541.000 281.98965379 85 | 541.500 277.76735789 86 | 542.000 273.53696395 87 | 542.500 269.30184876 88 | 543.000 265.06529982 89 | 543.500 260.83051042 90 | 544.000 256.60057529 91 | 544.500 252.37848689 92 | 545.000 248.16713214 93 | 545.500 243.96928969 94 | 546.000 239.78763456 95 | 546.500 235.62470891 96 | 547.000 231.48296265 97 | 547.500 227.36472435 98 | 548.000 223.27220815 99 | 548.500 219.20751372 100 | 549.000 215.58138953 101 | 549.500 212.09893751 102 | 550.000 208.65587521 103 | 550.500 205.27217466 104 | 551.000 201.92802932 105 | -------------------------------------------------------------------------------- /data/wave_cext_d/zoom_gold/multiple_sphere_d=2_g_h.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cextmultiple_sphere_d=2 2 | 500.000 289.07584094 3 | 500.500 291.73281014 4 | 501.000 294.41765910 5 | 501.500 297.13035024 6 | 502.000 299.87080753 7 | 502.500 302.63891126 8 | 503.000 305.43449564 9 | 503.500 308.25734467 10 | 504.000 311.10718702 11 | 504.500 313.98369242 12 | 505.000 316.88646615 13 | 505.500 319.81504402 14 | 506.000 322.76888692 15 | 506.500 325.74737456 16 | 507.000 328.74979943 17 | 507.500 331.77536001 18 | 508.000 334.82315336 19 | 508.500 337.89216804 20 | 509.000 340.98127533 21 | 509.500 344.08922160 22 | 510.000 347.21461816 23 | 510.500 350.35593283 24 | 511.000 353.51147898 25 | 511.500 356.67940556 26 | 512.000 359.85765959 27 | 512.500 363.04410467 28 | 513.000 366.23624844 29 | 513.500 369.43149018 30 | 514.000 372.62697721 31 | 514.500 375.81961737 32 | 515.000 379.00606420 33 | 515.500 382.18270291 34 | 516.000 385.34563436 35 | 516.500 388.49066023 36 | 517.000 391.61326687 37 | 517.500 394.70860954 38 | 518.000 397.77149596 39 | 518.500 400.79636427 40 | 519.000 403.77729952 41 | 519.500 406.70794969 42 | 520.000 409.58159332 43 | 520.500 412.39104468 44 | 521.000 414.71123547 45 | 521.500 413.74806380 46 | 522.000 412.66382563 47 | 522.500 411.45815789 48 | 523.000 410.13089178 49 | 523.500 408.68204671 50 | 524.000 407.11189173 51 | 524.500 405.42083161 52 | 525.000 403.60952422 53 | 525.500 401.67882460 54 | 526.000 399.62980614 55 | 526.500 397.46373710 56 | 527.000 395.18209848 57 | 527.500 392.78655558 58 | 528.000 390.27899287 59 | 528.500 387.66147016 60 | 529.000 384.93624048 61 | 529.500 382.10576868 62 | 530.000 379.17264512 63 | 530.500 376.13965817 64 | 531.000 373.00974658 65 | 531.500 369.78599333 66 | 532.000 366.47164469 67 | 532.500 363.07004097 68 | 533.000 359.58466533 69 | 533.500 356.01911189 70 | 534.000 352.37705182 71 | 534.500 348.66225641 72 | 535.000 344.87856225 73 | 535.500 341.02988499 74 | 536.000 337.12017747 75 | 536.500 333.15342322 76 | 537.000 329.13364314 77 | 537.500 325.06487586 78 | 538.000 320.95115698 79 | 538.500 316.79652045 80 | 539.000 312.60497433 81 | 539.500 308.38051874 82 | 540.000 304.12710648 83 | 540.500 299.84862502 84 | 541.000 295.54891759 85 | 541.500 291.23180475 86 | 542.000 286.90096203 87 | 542.500 282.56004592 88 | 543.000 278.21259404 89 | 543.500 273.86207553 90 | 544.000 269.51185331 91 | 544.500 265.16517774 92 | 545.000 260.82522149 93 | 545.500 256.49502311 94 | 546.000 252.17749586 95 | 546.500 247.87552620 96 | 547.000 243.59175528 97 | 547.500 239.32879900 98 | 548.000 235.08909665 99 | 548.500 230.87506132 100 | 549.000 227.10097251 101 | 549.500 223.47120744 102 | 550.000 219.88084217 103 | 550.500 216.35048609 104 | 551.000 212.85990446 105 | -------------------------------------------------------------------------------- /data/wave_cext_d/zoom_gold/multiple_sphere_d=4_g_h.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cextmultiple_sphere_d=4 2 | 500.000 286.89398094 3 | 500.500 289.50542246 4 | 501.000 292.14346071 5 | 501.500 294.80800733 6 | 502.000 297.49893284 7 | 502.500 300.21606272 8 | 503.000 302.95917375 9 | 503.500 305.72799006 10 | 504.000 308.52217831 11 | 504.500 311.34134380 12 | 505.000 314.18502489 13 | 505.500 317.05268795 14 | 506.000 319.94372189 15 | 506.500 322.85743194 16 | 507.000 325.79303339 17 | 507.500 328.74964496 18 | 508.000 331.72628148 19 | 508.500 334.72184640 20 | 509.000 337.73512365 21 | 509.500 340.76478948 22 | 510.000 343.80932343 23 | 510.500 346.86711845 24 | 511.000 349.93639038 25 | 511.500 353.01518947 26 | 512.000 356.10138868 27 | 512.500 359.19267034 28 | 513.000 362.28651759 29 | 513.500 365.38019876 30 | 514.000 368.47075683 31 | 514.500 371.55499495 32 | 515.000 374.62946232 33 | 515.500 377.69044195 34 | 516.000 380.73393273 35 | 516.500 383.75563968 36 | 517.000 386.75095412 37 | 517.500 389.71494166 38 | 518.000 392.64232672 39 | 518.500 395.52747846 40 | 519.000 398.36439385 41 | 519.500 401.14668805 42 | 520.000 403.86757634 43 | 520.500 406.51986641 44 | 521.000 408.68599907 45 | 521.500 407.62542405 46 | 522.000 406.44561608 47 | 522.500 405.14638939 48 | 523.000 403.72775362 49 | 523.500 402.18991651 50 | 524.000 400.53328699 51 | 524.500 398.75847587 52 | 525.000 396.86629709 53 | 525.500 394.85776857 54 | 526.000 392.73410840 55 | 526.500 390.49673739 56 | 527.000 388.14727133 57 | 527.500 385.68752127 58 | 528.000 383.11948883 59 | 528.500 380.44535796 60 | 529.000 377.66749254 61 | 529.500 374.78842780 62 | 530.000 371.81086311 63 | 530.500 368.73765472 64 | 531.000 365.57180502 65 | 531.500 362.31645556 66 | 532.000 358.97487579 67 | 532.500 355.55045359 68 | 533.000 352.04668383 69 | 533.500 348.46715870 70 | 534.000 344.81555505 71 | 534.500 341.09562435 72 | 535.000 337.31118021 73 | 535.500 333.46608762 74 | 536.000 329.56425191 75 | 536.500 325.60960566 76 | 537.000 321.60609980 77 | 537.500 317.55769086 78 | 538.000 313.46833106 79 | 538.500 309.34195800 80 | 539.000 305.18248430 81 | 539.500 300.99378829 82 | 540.000 296.77970473 83 | 540.500 292.54401618 84 | 541.000 288.29044488 85 | 541.500 284.02264501 86 | 542.000 279.74419575 87 | 542.500 275.45859465 88 | 543.000 271.16925187 89 | 543.500 266.87948451 90 | 544.000 262.59251207 91 | 544.500 258.31145204 92 | 545.000 254.03931633 93 | 545.500 249.77900815 94 | 546.000 245.53331947 95 | 546.500 241.30492841 96 | 547.000 237.09639870 97 | 547.500 232.91017816 98 | 548.000 228.74859669 99 | 548.500 224.61386906 100 | 549.000 220.91858836 101 | 549.500 217.36734344 102 | 550.000 213.85553878 103 | 550.500 210.40341477 104 | 551.000 206.99099923 105 | -------------------------------------------------------------------------------- /analysis_notebooks/scripts/Cext_wave_dist.py: -------------------------------------------------------------------------------- 1 | """ 2 | To run this case you need to creat the corresponding problem folders with the 3 | appropriate meshes. Here we call them multiple_sphere_d=1, multiple_sphere_d=2, 4 | multiple_sphere_d=4 5 | """ 6 | 7 | import numpy 8 | import time 9 | 10 | import pygbe 11 | from pygbe.util.read_data import read_fields 12 | from pygbe.main import main 13 | 14 | from cext_wavelength_scanning import Cext_wave_scan 15 | 16 | #Importing data 17 | l_w, er_w, ei_w = numpy.loadtxt('../../data/wave_cext_d/wave_water_diel.txt', 18 | unpack=True) 19 | l_s, er_s, ei_s = numpy.loadtxt('../../data/wave_cext_d/wave_silver_diel.txt', 20 | unpack=True) 21 | l_p, er_p, ei_p = numpy.loadtxt('../../data/wave_cext_d/wave_prot_diel.txt', 22 | unpack=True) 23 | 24 | #Check the wavelength ranges are all equal 25 | try: 26 | all(l_w == l_s) & all(l_s == l_p) 27 | wavelength = l_w 28 | except: 29 | raise ValueError('The wavelength ranges are not equal, check data generation') 30 | 31 | 32 | #Complex dielectric assembly 33 | e_w = er_w + 1j*ei_w #water 34 | e_s = er_s + 1j*ei_s #silver 35 | e_p = er_p + 1j*ei_p #protein 36 | 37 | #Building E field for single sphere dictionary 38 | E_field_single = [list(eps) for eps in zip(e_w, e_s)] 39 | 40 | field_dict_single = read_fields('../../../pygbe_dev/pygbe/examples/lspr/sphere_complex.config') 41 | 42 | tic_single = time.time() 43 | 44 | wave_single, Cext_single = Cext_wave_scan(wavelength, E_field_single, field_dict_single, 45 | '../../../pygbe_dev/pygbe/examples/lspr') 46 | toc_single = time.time() 47 | 48 | numpy.savetxt('../../data/wave_cext_d/wave_cext_d_infty.txt', 49 | list(zip(wave_single, Cext_single)), 50 | fmt = '%.3f %.8f', 51 | header = 'lambda [nm], Cext, d=infty') 52 | 53 | 54 | #Building E field for dictionary (protein) 55 | e_list = [list(eps) for eps in zip(e_w, e_s, e_p)] 56 | 57 | E_field = [] 58 | for lst in e_list: 59 | E_field.append(lst+[lst[-1]]*5) 60 | 61 | 62 | distance_path_folders = ['multiple_sphere_d=1', 63 | 'multiple_sphere_d=2', 64 | 'multiple_sphere_d=4'] 65 | 66 | tic_d = time.time() 67 | for path in distance_path_folders: 68 | 69 | field_dict = read_fields('../../../pygbe_dev/pygbe/examples/' 70 | +path+'/seven_sphere_complex.config') 71 | wave, Cext = Cext_wave_scan(wavelength, E_field, field_dict, 72 | '../../../pygbe_dev/pygbe/examples/'+path) 73 | toc=time.time() 74 | 75 | numpy.savetxt('../../data/wave_cext_d/'+path+'.txt', 76 | list(zip(wave, Cext)), 77 | fmt = '%.3f %.8f', 78 | header = 'lambda [nm], Cext'+path) 79 | toc_d = time.time() 80 | 81 | with open('../../data/wave_cext_d/time_wave_Cext_d.txt', 'w') as f: 82 | print('total run time: {}'.format((toc_single-tic_single)+(toc_d-tic_d)), 83 | file=f) 84 | -------------------------------------------------------------------------------- /paper/silver_spherical_NP_verification/verification_helper.py: -------------------------------------------------------------------------------- 1 | '''This file contains functions that help to analyze and plot data related 2 | to the single silver sphere verification. 3 | ''' 4 | 5 | import numpy 6 | from matplotlib import pyplot, rcParams 7 | 8 | 9 | 10 | def Cext_analytical(radius, wavelength, diel_out, diel_in): 11 | '''Calculates the analytical solution of the extinction cross section. 12 | This solution is valid when the nano particle involved is a sphere. 13 | 14 | Arguments: 15 | ---------- 16 | radius : float, radius of the sphere in [nm]. 17 | wavelength: float/array of floats, wavelength of the incident 18 | electric field in [nm]. 19 | diel_out : complex/array of complex, dielectric constant inside surface. 20 | diel_in : complex/array of complex, dielectric constant inside surface. 21 | 22 | Returns: 23 | -------- 24 | Cext_an : float/array of floats, extinction cross section. 25 | 26 | ''' 27 | wavenumber = 2*numpy.pi*numpy.sqrt(diel_out)/wavelength 28 | C1 = wavenumber**2*(diel_in/diel_out-1)/(diel_in/diel_out+2) 29 | Cext_an = 4*numpy.pi*radius**3/wavenumber.real * C1.imag 30 | 31 | return Cext_an 32 | 33 | def plot_cext_wave(lamb, cext, cext_an, ylim_s, ylim_e, xpoints, title=None, 34 | file_name=None, file_ext=None, paper=False): 35 | 36 | if paper: 37 | file_ext = 'pdf' 38 | pyplot.switch_backend('agg') 39 | fig = pyplot.figure(figsize=(3, 2)) 40 | ms = 5 41 | lw = 1 42 | fs = 10 43 | hl = 0.1 44 | fsl = 9 45 | else: 46 | pyplot.figure(figsize=(6, 4)) 47 | ms = 7 48 | lw = 2 49 | fs = 12 50 | hl = 0.5 51 | fsl = 12 52 | 53 | rcParams['font.family'] = 'serif' 54 | rcParams['font.size'] = fs 55 | rcParams['xtick.top'] = True 56 | rcParams['ytick.right'] = True 57 | rcParams['axes.linewidth'] = 1 58 | 59 | 60 | pyplot.plot(lamb, cext, ls='', marker='o', color='0.5', mew=1, mfc='w', ms=ms, label='PyGBe') 61 | pyplot.plot(lamb, cext_an, ls='--', marker='None', c='k', lw=lw, label='Analytical') 62 | 63 | 64 | pyplot.xlabel('Wavelength [nm]') 65 | pyplot.ylabel(' $C_{ext}$ [$nm^2$]') 66 | pyplot.xlim(min(lamb), max(lamb)) 67 | pyplot.ylim(ylim_s, ylim_e) 68 | 69 | pyplot.xticks(numpy.linspace(min(lamb), max(lamb), xpoints), rotation=25) 70 | pyplot.yticks(numpy.linspace(0, 4000, 9)) 71 | pyplot.tick_params(axis='both', length=5, width=0.8, direction='in') 72 | 73 | 74 | 75 | if title: 76 | pyplot.title(title) 77 | 78 | pyplot.legend(loc='upper right', fontsize=fsl, numpoints=1, handlelength=hl).get_frame().set_lw(0.2) 79 | pyplot.grid(linestyle=':') 80 | 81 | if file_name and file_ext: 82 | pyplot.savefig(file_name+'.'+file_ext, format=file_ext, dpi=80, 83 | bbox_inches='tight', pad_inches=0.04) 84 | if paper : 85 | pyplot.close(fig) 86 | 87 | 88 | -------------------------------------------------------------------------------- /analysis_notebooks/scripts/generate_dielectric.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import sys 3 | from data_analysis_helper import linear_interp 4 | from argparse import ArgumentParser 5 | 6 | def read_inputs(args): 7 | """ 8 | Parse command-line arguments to read arguments in main. 9 | """ 10 | 11 | parser = ArgumentParser(description='Read arguments to determine wavelength range') 12 | parser.add_argument('-s', 13 | '--start', 14 | type=float, 15 | help="Start point for wavelength range") 16 | parser.add_argument('-e', 17 | '--end', 18 | type=float, 19 | help="End point for wavelength range") 20 | parser.add_argument('-n', 21 | '--points', 22 | type=int, 23 | help="Number of points in the wavelength range") 24 | 25 | parser.add_argument('-d', 26 | '--data', 27 | type=str, 28 | help="Path of data we want to interpolate to get diel") 29 | 30 | parser.add_argument('-o', 31 | '--output', 32 | type=str, 33 | help="Name of output file") 34 | 35 | return parser.parse_args(args) 36 | 37 | 38 | def main(argv=sys.argv): 39 | ''' 40 | Get dielectric constant as a function of wavelength by interpolating 41 | extisting data in terms of refraction index. 42 | 43 | Arguments passed (read docs of read_inputs): 44 | ----------------- 45 | lamb_start: float, start point for wavelength range to generate dielectric. 46 | lamb_end : float, end point for wavelength range to generate dielectric. 47 | num_points: int, number of points we want in the range. 48 | data_interpolate: str, path of data we want to interpolate to get 49 | dielectric constant. 50 | Returns: 51 | -------- 52 | wavelength: array, wavelength array. 53 | epsilon : array, dielectric constant array. 54 | 55 | ''' 56 | 57 | args = read_inputs(argv[1:]) 58 | 59 | lamb_start = args.start 60 | lamb_end = args.end 61 | num_points = args.points 62 | data_path = args.data 63 | output_name = args.output 64 | 65 | wavelength = numpy.linspace(lamb_start,lamb_end,num_points) 66 | 67 | lambda_m, n_m, k_m = numpy.loadtxt(data_path, unpack = True) 68 | 69 | n_interp, k_interp = linear_interp(lambda_m, n_m, k_m) 70 | 71 | n_range = n_interp(wavelength) 72 | k_range = k_interp(wavelength) 73 | 74 | diel = (n_range + 1j*k_range)**2 75 | 76 | diel_real = diel.real 77 | diel_imag = diel.imag 78 | 79 | numpy.savetxt(output_name, 80 | list(zip(wavelength, diel_real, diel_imag)), 81 | fmt='%.1f %.5e %.5e', 82 | header='lambda [ang], diel_real, diel_imag') 83 | 84 | return wavelength, diel 85 | 86 | if __name__ == "__main__": 87 | main(sys.argv) -------------------------------------------------------------------------------- /LICENSE: -------------------------------------------------------------------------------- 1 | Copyright (c) 2017, Barba Group: Natalia Clementi, Christopher Cooper, Gilbert Forsyth, Lorena Barba. 2 | All rights reserved. 3 | 4 | Software: 5 | --------- 6 | 7 | BSD 3-Clause License 8 | 9 | Redistribution and use in source and binary forms, with or without 10 | modification, are permitted provided that the following conditions are met: 11 | 12 | * Redistributions of source code must retain the above copyright notice, this 13 | list of conditions and the following disclaimer. 14 | 15 | * Redistributions in binary form must reproduce the above copyright notice, 16 | this list of conditions and the following disclaimer in the documentation 17 | and/or other materials provided with the distribution. 18 | 19 | * Neither the name of the copyright holder nor the names of its 20 | contributors may be used to endorse or promote products derived from 21 | this software without specific prior written permission. 22 | 23 | THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS" 24 | AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE 25 | IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE ARE 26 | DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT HOLDER OR CONTRIBUTORS BE LIABLE 27 | FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL 28 | DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE GOODS OR 29 | SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS INTERRUPTION) HOWEVER 30 | CAUSED AND ON ANY THEORY OF LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, 31 | OR TORT (INCLUDING NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE 32 | OF THIS SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE. 33 | 34 | Other content: 35 | -------------- 36 | 37 | Made available under the Creative 38 | Commons Attribution license. You are free: 39 | 40 | * to Share---to copy, distribute and transmit the work 41 | * to Remix---to adapt the work 42 | 43 | Under the following conditions: 44 | 45 | * Attribution---You must attribute the work using "Copyright (c) 46 | Barbagroup" (but not in any way that suggests that we 47 | endorse you or your use of the work). Where practical, you must 48 | also include a hyperlink to https://github.com/numerical-mooc/numerical-mooc. 49 | 50 | With the understanding that: 51 | 52 | * Waiver---Any of the above conditions can be waived if you get 53 | permission from the copyright holder. 54 | * Other Rights---In no way are any of the following rights 55 | affected by the license: 56 | * Your fair dealing or fair use rights; 57 | * The author's moral rights; 58 | * Rights other persons may have either in the work itself or in 59 | how the work is used, such as publicity or privacy rights. * 60 | * Notice---For any reuse or distribution, you must make clear to 61 | others the license terms of this work. The best way to do this is 62 | with a link to http://creativecommons.org/licenses/by/3.0/. 63 | 64 | For the full legal text of this license, please see: 65 | http://creativecommons.org/licenses/by/3.0/legalcode 66 | 67 | -------------------------------------------------------------------------------- /data/wave_cext_d/wave_water_diel_g_h.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], diel_real, diel_imag 2 | 500.500 1.782171600400000111e+00 2.687047744000000601e-09 3 | 501.500 1.782064803599999969e+00 2.721141695999999918e-09 4 | 502.500 1.781958009999999870e+00 2.755233600000000535e-09 5 | 503.500 1.781851219599999814e+00 2.789323455999999555e-09 6 | 504.500 1.781744432399999800e+00 2.823411264000000289e-09 7 | 505.500 1.781637648400000273e+00 2.857497023999999840e-09 8 | 506.500 1.781530867600000123e+00 2.891580736000000277e-09 9 | 507.500 1.781424090000000016e+00 2.925662399999999945e-09 10 | 508.500 1.781317315599999951e+00 2.959742016000000085e-09 11 | 509.500 1.781210544399999707e+00 2.993819583999999457e-09 12 | 510.500 1.781103776400000172e+00 3.027895104000000542e-09 13 | 511.500 1.780997011600000235e+00 3.061968576000000031e-09 14 | 512.500 1.780890250000000119e+00 3.096040000000000405e-09 15 | 513.500 1.780783491600000046e+00 3.130109375999999598e-09 16 | 514.500 1.780676736399999793e+00 3.164176704000000089e-09 17 | 515.500 1.780569984400000250e+00 3.198241984000000226e-09 18 | 516.500 1.780463235600000305e+00 3.232305216000000421e-09 19 | 517.500 1.780356490000000180e+00 3.266366399999999847e-09 20 | 518.500 1.780249747600000099e+00 3.300425536000000159e-09 21 | 519.500 1.780143008399999838e+00 3.334482623999999703e-09 22 | 520.500 1.780036272400000286e+00 3.368537664000000546e-09 23 | 521.500 1.779929539600000332e+00 3.402590655999999793e-09 24 | 522.500 1.779822810000000199e+00 3.436641600000000339e-09 25 | 523.500 1.779716083600000109e+00 3.470690495999999703e-09 26 | 524.500 1.779609360400000062e+00 3.504737344000000366e-09 27 | 525.500 1.779502640400000502e+00 3.555857088000000348e-09 28 | 526.500 1.779395923600000318e+00 3.624048192000000416e-09 29 | 527.500 1.779289210000000176e+00 3.692235200000000187e-09 30 | 528.500 1.779182499600000078e+00 3.760418111999999662e-09 31 | 529.500 1.779075792400000022e+00 3.828596927999999667e-09 32 | 530.500 1.778969088400000009e+00 3.896771647999999790e-09 33 | 531.500 1.778862387600000483e+00 3.964942272000000029e-09 34 | 532.500 1.778755690000000333e+00 4.033108800000000386e-09 35 | 533.500 1.778648995600000227e+00 4.101271232000000033e-09 36 | 534.500 1.778542304400000162e+00 4.169429567999999796e-09 37 | 535.500 1.778435616399999919e+00 4.237583807999999677e-09 38 | 536.500 1.778328931599999940e+00 4.305733951999999675e-09 39 | 537.500 1.778222249999999782e+00 4.373879999999999789e-09 40 | 538.500 1.778115571600000333e+00 4.442021952000000021e-09 41 | 539.500 1.778008896400000038e+00 4.510159807999999543e-09 42 | 540.500 1.777902224400000009e+00 4.578293568000000009e-09 43 | 541.500 1.777795555600000021e+00 4.646423231999999765e-09 44 | 542.500 1.777688889999999855e+00 4.714548799999999638e-09 45 | 543.500 1.777582227599999731e+00 4.782670271999999628e-09 46 | 544.500 1.777475568400000094e+00 4.850787647999999735e-09 47 | 545.500 1.777368912400000056e+00 4.918900927999999959e-09 48 | 546.500 1.777262259600000061e+00 4.987010111999999473e-09 49 | 547.500 1.777155609999999886e+00 5.055115199999999931e-09 50 | 548.500 1.777048963599999754e+00 5.123216191999998852e-09 51 | 549.500 1.776942320399999664e+00 5.191313087999999544e-09 52 | 550.500 1.776888999999999941e+00 5.312804799999999976e-09 53 | -------------------------------------------------------------------------------- /data/wave_cext_d/wave_prot_diel_g_h.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], diel_prot_real, diel_prot_imag 2 | 500.500 2.721890920221657684e+00 2.084319350934497606e-01 3 | 501.500 2.721731783993228682e+00 2.079708699547936634e-01 4 | 502.500 2.721573571969807315e+00 2.075119280811164313e-01 5 | 503.500 2.721416276148212354e+00 2.070550943457010185e-01 6 | 504.500 2.721259888612168165e+00 2.066003537688223257e-01 7 | 505.500 2.721104401531138528e+00 2.061476915159319301e-01 8 | 506.500 2.720949807159179112e+00 2.056970928958686828e-01 9 | 507.500 2.720796097833809490e+00 2.052485433590977570e-01 10 | 508.500 2.720643265974904246e+00 2.048020284959744530e-01 11 | 509.500 2.720491304083597850e+00 2.043575340350348157e-01 12 | 510.500 2.720340204741212187e+00 2.039150458413117040e-01 13 | 511.500 2.720189960608196955e+00 2.034745499146748127e-01 14 | 512.500 2.720040564423088725e+00 2.030360323881970908e-01 15 | 513.500 2.719892009001487754e+00 2.025994795265428361e-01 16 | 514.500 2.719744287235047686e+00 2.021648777243817419e-01 17 | 515.500 2.719597392090485677e+00 2.017322135048249254e-01 18 | 516.500 2.719451316608603175e+00 2.013014735178837722e-01 19 | 517.500 2.719306053903324916e+00 2.008726445389521498e-01 20 | 518.500 2.719161597160751676e+00 2.004457134673098551e-01 21 | 519.500 2.719017939638231685e+00 2.000206673246480715e-01 22 | 520.500 2.718875074663438696e+00 1.995974932536162261e-01 23 | 521.500 2.718732995633472704e+00 1.991761785163898846e-01 24 | 522.500 2.718591696013968217e+00 1.987567104932587148e-01 25 | 523.500 2.718451169338218509e+00 1.983390766812356543e-01 26 | 524.500 2.718311409206316309e+00 1.979232646926850081e-01 27 | 525.500 2.718172409284303814e+00 1.975092622539708909e-01 28 | 526.500 2.718034163303332917e+00 1.970970572041242930e-01 29 | 527.500 2.717896665058847638e+00 1.966866374935298811e-01 30 | 528.500 2.717759908409770997e+00 1.962779911826304513e-01 31 | 529.500 2.717623887277704320e+00 1.958711064406503666e-01 32 | 530.500 2.717488595646146088e+00 1.954659715443368417e-01 33 | 531.500 2.717354027559712115e+00 1.950625748767187417e-01 34 | 532.500 2.717220177123374381e+00 1.946609049258829771e-01 35 | 533.500 2.717087038501711405e+00 1.942609502837679136e-01 36 | 534.500 2.716954605918165733e+00 1.938626996449737683e-01 37 | 535.500 2.716822873654315629e+00 1.934661418055891868e-01 38 | 536.500 2.716691836049155206e+00 1.930712656620345302e-01 39 | 537.500 2.716561487498388772e+00 1.926780602099210649e-01 40 | 538.500 2.716431822453732270e+00 1.922865145429257794e-01 41 | 539.500 2.716302835422225836e+00 1.918966178516818000e-01 42 | 540.500 2.716174520965557893e+00 1.915083594226838493e-01 43 | 541.500 2.716046873699396791e+00 1.911217286372092483e-01 44 | 542.500 2.715919888292734896e+00 1.907367149702530185e-01 45 | 543.500 2.715793559467238882e+00 1.903533079894779434e-01 46 | 544.500 2.715667881996613353e+00 1.899714973541786756e-01 47 | 545.500 2.715542850705971567e+00 1.895912728142601922e-01 48 | 546.500 2.715418460471212825e+00 1.892126242092296851e-01 49 | 547.500 2.715294706218415399e+00 1.888355414672023835e-01 50 | 548.500 2.715171582923231242e+00 1.884600146039207003e-01 51 | 549.500 2.715049085610294011e+00 1.880860337217865330e-01 52 | 550.500 2.714927209352632875e+00 1.877135890089063341e-01 53 | -------------------------------------------------------------------------------- /analysis_notebooks/scripts/Cext_wave_dist_prot_sensor.py: -------------------------------------------------------------------------------- 1 | """ 2 | To run this case you need to creat the corresponding problem folders with the 3 | appropriate meshes. Here we call them BSA_sensor_d=1, BSA_sensor_d=2, 4 | BSA_sensor_d=4 and for the case of no protein BSA_sensor_d=infty. 5 | """ 6 | 7 | import numpy 8 | import time 9 | import os 10 | 11 | import pygbe 12 | from pygbe.util.read_data import read_fields 13 | from pygbe.lspr import main 14 | 15 | from cext_wavelength_scanning import Cext_wave_scan 16 | 17 | #Importing data 18 | l_w, er_w, ei_w = numpy.loadtxt('../../data/wave_cext_d_prot_sensor/wave_water_diel_ang.txt', 19 | unpack=True) 20 | l_s, er_s, ei_s = numpy.loadtxt('../../data/wave_cext_d_prot_sensor/wave_silver_diel_ang.txt', 21 | unpack=True) 22 | l_p, er_p, ei_p = numpy.loadtxt('../../data/wave_cext_d_prot_sensor/wave_prot_diel_ang.txt', 23 | unpack=True) 24 | 25 | #Check the wavelength ranges are all equal 26 | try: 27 | all(l_w == l_s) & all(l_s == l_p) 28 | wavelength = l_w 29 | except: 30 | raise ValueError('The wavelength ranges are not equal, check data generation') 31 | 32 | 33 | #Complex dielectric assembly 34 | e_w = er_w + 1j*ei_w #water 35 | e_s = er_s + 1j*ei_s #silver 36 | e_p = er_p + 1j*ei_p #protein 37 | 38 | #Building E field for single sphere dictionary 39 | E_field_single = [list(eps) for eps in zip(e_w, e_s)] 40 | 41 | field_dict_single = read_fields('../../../pygbe/examples/BSA_sensor_d=infty/sph_sensor.config') 42 | 43 | tic_single = time.time() 44 | elec_field = -1 45 | wave_single, Cext_single = Cext_wave_scan(elec_field, wavelength, E_field_single, field_dict_single, 46 | '../../../pygbe/examples/BSA_sensor_d=infty') 47 | toc_single = time.time() 48 | 49 | numpy.savetxt('../../data/wave_cext_d_prot_sensor/wave_cext_d_infty.txt', 50 | list(zip(wave_single, Cext_single)), 51 | fmt = '%.1f %.8f', 52 | header = 'lambda [Ang], Cext, d=infty') 53 | 54 | 55 | #Building E field for dictionary (protein) 56 | E_field = [list(eps) for eps in zip(e_w, e_s, e_p)] 57 | 58 | 59 | distance_path_folders = ['BSA_sensor_d=1', 60 | 'BSA_sensor_d=2', 61 | 'BSA_sensor_d=4'] 62 | 63 | tic_d = time.time() 64 | elec_field = -1 65 | for path in distance_path_folders: 66 | 67 | folder_path = '../../../pygbe/examples/' + path 68 | full_path = os.path.abspath(folder_path)+'/' 69 | os.environ['PYGBE_PROBLEM_FOLDER'] = full_path 70 | 71 | field_dict = read_fields(folder_path+'/sphere_bsa.config') 72 | wave, Cext = Cext_wave_scan(elec_field, wavelength, E_field, field_dict, 73 | '../../../pygbe/examples/'+path) 74 | toc=time.time() 75 | 76 | numpy.savetxt('../../data/wave_cext_d_prot_sensor/'+path+'.txt', 77 | list(zip(wave, Cext)), 78 | fmt = '%.1f %.8f', 79 | header = 'lambda [Ang], Cext'+path) 80 | toc_d = time.time() 81 | 82 | with open('../../data/wave_cext_d_prot_sensor/time_wave_Cext_d.txt', 'w') as f: 83 | print('total run time: {}'.format((toc_single-tic_single)+(toc_d-tic_d)), 84 | file=f) 85 | -------------------------------------------------------------------------------- /analysis_notebooks/scripts/Cext_wave.py: -------------------------------------------------------------------------------- 1 | """ 2 | To run this case you need to creat the corresponding problem folders with the 3 | appropriate meshes. Here we call them lspr_silver/ and lspr_gold/ 4 | 5 | """ 6 | 7 | import numpy 8 | import time 9 | 10 | 11 | import pygbe 12 | from pygbe.util.read_data import read_fields 13 | from pygbe.main import main 14 | 15 | from cext_wavelength_scanning import create_diel_list, Cext_wave_scan, Cext_analytical 16 | 17 | 18 | #Import silver case 19 | lambda_75, ns_75, ks_75, nw_75, kw_75 = numpy.loadtxt('../../data/lambda_n_k_silver-7.5.txt', 20 | unpack = True) 21 | 22 | #Import gold case 23 | lambda_76, ng_76, kg_76, nw_76, kw_76 = numpy.loadtxt('../../data/lambda_n_k_gold-7.6.txt', 24 | unpack = True) 25 | 26 | 27 | #Creating dielectric list for silver 28 | diel_wat_75, diel_sil_75, diel_list_75 = create_diel_list(nw_75, kw_75, ns_75, ks_75) 29 | 30 | #Creating dielectric list for gold 31 | diel_wat_76, diel_gold_76, diel_list_76 = create_diel_list(nw_76, kw_76, ng_76, kg_76) 32 | 33 | #Creating dictionary field. We will modify the 'E' key in the for loop. 34 | field_dict_Ag = read_fields('../../../pygbe_dev/pygbe/examples/lspr_silver/sphereAg_complex.config') 35 | field_dict_Au = read_fields('../../../pygbe_dev/pygbe/examples/lspr_gold/sphereAu_complex.config') 36 | 37 | #Calculate Cext(lambda) for silver 38 | tic_s = time.time() 39 | wave_s, Cext_silver = Cext_wave_scan(lambda_75, diel_list_75, field_dict_Ag, 40 | '../../../pygbe_dev/pygbe/examples/lspr_silver') 41 | toc_s = time.time() 42 | 43 | #Calculate Cext(lambda) for gold 44 | tic_g = time.time() 45 | wave_g, Cext_gold = Cext_wave_scan(lambda_76, diel_list_76, field_dict_Au, 46 | '../../../pygbe_dev/pygbe/examples/lspr_gold') 47 | toc_g = time.time() 48 | 49 | #Calculate Cext_analytical(lambda) for silver and gold, radius of sphere=10 nm 50 | r = 10. 51 | #Silver 52 | Cext_an_silver = Cext_analytical(r, wave_s, diel_wat_75, diel_sil_75) 53 | 54 | #Gold 55 | Cext_an_gold = Cext_analytical(r, wave_g, diel_wat_76, diel_gold_76) 56 | 57 | #Relative errors 58 | error_silv = abs(Cext_silver-Cext_an_silver)/Cext_an_silver 59 | error_gold = abs(Cext_gold-Cext_an_gold)/Cext_an_gold 60 | 61 | #Save wavelength, Cext, Cext_analytical, error 62 | #Silver 63 | numpy.savetxt('../../data/lambda_Cext_Cext_an_error_silver_7.5.txt', 64 | list(zip(wave_s, Cext_silver, Cext_an_silver, error_silv)), 65 | fmt = '%.8f %.8f %.8f %.8f', 66 | header = 'lambda [nm], Cext, Cext_analytical, error') 67 | 68 | #Gold 69 | numpy.savetxt('../../data/lambda_Cext_Cext_an_error_gold_7.6.txt', 70 | list(zip(wave_g, Cext_gold, Cext_an_gold, error_gold)), 71 | fmt = '%.8f %.8f %.8f %.8f', 72 | header = 'lambda [nm], Cext, Cext_analytical, error') 73 | 74 | time_silver = toc_s - tic_s 75 | time_gold = toc_g - tic_g 76 | time_total = time_silver + time_gold 77 | 78 | with open('../../data/time_7.5-7.6.txt', 'w') as f: 79 | print('time_silver: {} \ntime_gold: {} \ntime_total: {}'.format(time_silver, 80 | time_gold, time_total), file=f) 81 | 82 | -------------------------------------------------------------------------------- /data/wave_cext_d/wave_gold_diel_g_h.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], diel_real, diel_imag 2 | 500.500 -2.599800589181865629e+00 3.618854166848509912e+00 3 | 501.500 -2.669235633386854545e+00 3.574533660909282151e+00 4 | 502.500 -2.738303163772536131e+00 3.529546809067342306e+00 5 | 503.500 -2.807003180338910386e+00 3.483893611322689043e+00 6 | 504.500 -2.875335683085976868e+00 3.437574067675322809e+00 7 | 505.500 -2.943300672013736463e+00 3.390588178125244490e+00 8 | 506.500 -3.010898147122189172e+00 3.342935942672452754e+00 9 | 507.500 -3.078128108411334107e+00 3.294617361316948490e+00 10 | 508.500 -3.144990555881171268e+00 3.245632434058730809e+00 11 | 509.500 -3.211485489531701987e+00 3.195981160897801043e+00 12 | 510.500 -3.277612909362925375e+00 3.145663541834158305e+00 13 | 511.500 -3.343372815374841878e+00 3.094679576867803039e+00 14 | 512.500 -3.408765207567449718e+00 3.043029265998734356e+00 15 | 513.500 -3.473790085940751560e+00 2.990712609226953589e+00 16 | 514.500 -3.538447450494746072e+00 2.937729606552458961e+00 17 | 515.500 -3.602737301229432809e+00 2.884080257975252692e+00 18 | 516.500 -3.666659638144813105e+00 2.829764563495333007e+00 19 | 517.500 -3.730214461240883850e+00 2.774782523112700350e+00 20 | 518.500 -3.793401770517649041e+00 2.719134136827355608e+00 21 | 519.500 -3.856221565975107790e+00 2.662819404639297449e+00 22 | 520.500 -3.918673847613257877e+00 2.605838326548526762e+00 23 | 521.500 -3.982356786901332768e+00 2.573785236728773462e+00 24 | 522.500 -4.047435788661122302e+00 2.561569613680760416e+00 25 | 523.500 -4.112786060911803432e+00 2.548982488915924272e+00 26 | 524.500 -4.178407603653372604e+00 2.536023862434263698e+00 27 | 525.500 -4.244300416885830707e+00 2.522693734235779139e+00 28 | 526.500 -4.310464500609178629e+00 2.508992104320470151e+00 29 | 527.500 -4.376899854823414593e+00 2.494918972688337178e+00 30 | 528.500 -4.443606479528539488e+00 2.480474339339380219e+00 31 | 529.500 -4.510584374724552426e+00 2.465658204273597942e+00 32 | 530.500 -4.577833540411455182e+00 2.450470567490992568e+00 33 | 531.500 -4.645353976589247758e+00 2.434911428991562765e+00 34 | 532.500 -4.713145683257929264e+00 2.418980788775308977e+00 35 | 533.500 -4.781208660417499701e+00 2.402678646842230759e+00 36 | 534.500 -4.849542908067958180e+00 2.386005003192328555e+00 37 | 535.500 -4.918148426209307367e+00 2.368959857825601922e+00 38 | 536.500 -4.987025214841544596e+00 2.351543210742051748e+00 39 | 537.500 -5.056173273964668979e+00 2.333755061941676701e+00 40 | 538.500 -5.125592603578684958e+00 2.315595411424477668e+00 41 | 539.500 -5.195283203683588091e+00 2.297064259190454649e+00 42 | 540.500 -5.265245074279382820e+00 2.278161605239607646e+00 43 | 541.500 -5.335478215366064703e+00 2.258887449571935768e+00 44 | 542.500 -5.405982626943636404e+00 2.239241792187440350e+00 45 | 543.500 -5.476758309012097037e+00 2.219224633086120502e+00 46 | 544.500 -5.547805261571445712e+00 2.198835972267976668e+00 47 | 545.500 -5.619123484621682429e+00 2.178075809733007961e+00 48 | 546.500 -5.690712978162809854e+00 2.156944145481216157e+00 49 | 547.500 -5.762573742194825321e+00 2.135440979512599924e+00 50 | 548.500 -5.834705776717731496e+00 2.113566311827158817e+00 51 | 549.500 -5.899146246255422277e+00 2.102199029225392035e+00 52 | 550.500 -5.962938370285005618e+00 2.091863711185456776e+00 53 | -------------------------------------------------------------------------------- /analysis_notebooks/scripts/cext_wavelength_scanning.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import pygbe 3 | from pygbe.lspr import main 4 | 5 | def create_diel_list(n_out, k_out, n_in, k_in): 6 | '''Returns the dielectric constant list. Each element contains the 7 | field('E') for the respective wavelength. i.e each element is a list 8 | of the dielectric constant of each region. 9 | 10 | Arguments: 11 | ---------- 12 | n_out : array, real part of refractive index in the outside region. 13 | k_out : array, imaginary part of refractive index in the outside region. 14 | n_in : array, real part of refractive index in the inside region. 15 | k_in : array, imaginary part of refractive index in the inside region. 16 | 17 | Returns: 18 | -------- 19 | diel_out : complex/array of complex, dielectric constant inside surface. 20 | diel_in : complex/array of complex, dielectric constant inside surface. 21 | diel_list: list, dielectric constant list. 22 | ''' 23 | 24 | refrac_out = n_out + 1j * k_out 25 | refrac_in = n_in + 1j * k_in 26 | 27 | diel_out = refrac_out * refrac_out 28 | diel_in = refrac_in * refrac_in 29 | 30 | diel_list = [list(eps) for eps in zip(diel_out, diel_in)] 31 | 32 | return diel_out, diel_in, diel_list 33 | 34 | 35 | def Cext_wave_scan(elec_field, wavelength, diel, field_dict, example_folder_path): 36 | 37 | '''Computes the extinction cross section using PyGBe for different 38 | wavelength and associated dielectric constants. 39 | 40 | Arguments: 41 | ---------- 42 | wavelength : array/list, wavelengths we want to scan. 43 | diel : list, each element contains the field('E') for the 44 | respective wavelength. i.e each element is a list 45 | of the dielectric constant of each region. 46 | field_dict : dictionary, config dictionary. 47 | example_folder_path: str, path to the example folder relative to wherever 48 | the interpreter was started. 49 | 50 | Returns: 51 | -------- 52 | Cext_wave : list, list of cross extinction sections. 53 | ''' 54 | 55 | Cext_wave = [] 56 | wave_diel = list(zip(wavelength, diel)) 57 | 58 | for wave, E in wave_diel: 59 | field_dict['E'] = E 60 | results = main(['', example_folder_path], return_results_dict=True, 61 | field=field_dict, 62 | lspr_values=(elec_field, wave)) 63 | Cext_wave.append(results['Cext_0']) 64 | 65 | 66 | return wavelength, Cext_wave 67 | 68 | 69 | def Cext_analytical(radius, wavelength, diel_out, diel_in): 70 | '''Calculates the analytical solution of the extinction cross section. 71 | This solution is valid when the nano particle involved is a sphere. 72 | 73 | Arguments: 74 | ---------- 75 | radius : float, radius of the sphere in [nm]. 76 | wavelength: float/array of floats, wavelength of the incident 77 | electric field in [nm]. 78 | diel_out : complex/array of complex, dielectric constant inside surface. 79 | diel_in : complex/array of complex, dielectric constant inside surface. 80 | 81 | Returns: 82 | -------- 83 | Cext_an : float/array of floats, extinction cross section. 84 | 85 | ''' 86 | wavenumber = 2*numpy.pi*numpy.sqrt(diel_out)/wavelength 87 | C1 = wavenumber**2*(diel_in/diel_out-1)/(diel_in/diel_out+2) 88 | Cext_an = 4*numpy.pi*radius**3/wavenumber.real * C1.imag 89 | 90 | return Cext_an 91 | -------------------------------------------------------------------------------- /data/lambda_Cext_Cext_an_error_silver_7.5.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cext, Cext_analytical, error 2 | 350.00000000 136.57918152 136.40707801 0.00126169 3 | 351.00000000 143.97230809 143.76918976 0.00141281 4 | 352.00000000 152.13152424 151.89275912 0.00157193 5 | 353.00000000 161.18405639 160.90363010 0.00174282 6 | 354.00000000 171.28596426 170.95575515 0.00193155 7 | 355.00000000 180.58479284 180.20685678 0.00209723 8 | 356.00000000 190.15001727 189.72048035 0.00226405 9 | 357.00000000 200.68836880 200.19880262 0.00244540 10 | 358.00000000 212.34934774 211.78981900 0.00264191 11 | 359.00000000 225.31370021 224.67189666 0.00285663 12 | 360.00000000 239.80067331 239.06170977 0.00309110 13 | 361.00000000 256.07913535 255.22472472 0.00334768 14 | 362.00000000 274.48167957 273.48922017 0.00362888 15 | 363.00000000 295.42394168 294.26527665 0.00393748 16 | 364.00000000 319.43187533 318.07086042 0.00427897 17 | 365.00000000 347.17839072 345.56820348 0.00465954 18 | 366.00000000 379.53610509 377.61539998 0.00508641 19 | 367.00000000 417.65320831 415.34093959 0.00556716 20 | 368.00000000 462.70563697 459.89814253 0.00610460 21 | 369.00000000 512.63356804 509.25558639 0.00663318 22 | 370.00000000 572.27436837 568.16802469 0.00722734 23 | 371.00000000 644.37977942 639.32991979 0.00789868 24 | 372.00000000 732.74056999 726.44864608 0.00866121 25 | 373.00000000 842.68215442 834.72576215 0.00953174 26 | 374.00000000 981.84594288 971.61496078 0.01052987 27 | 375.00000000 1161.44529562 1148.03955642 0.01167707 28 | 376.00000000 1398.31418780 1380.37853312 0.01299329 29 | 377.00000000 1718.25621496 1693.71909339 0.01448713 30 | 378.00000000 2161.35593819 2127.04724214 0.01612973 31 | 379.00000000 2789.38529070 2740.63571641 0.01778769 32 | 380.00000000 3691.14338614 3622.11606847 0.01905718 33 | 381.00000000 4961.75858160 4869.72603439 0.01889892 34 | 382.00000000 6391.28947261 6295.44037951 0.01522516 35 | 383.00000000 7481.48799140 7428.50170794 0.00713284 36 | 384.00000000 7797.91399404 7830.22718383 0.00412672 37 | 385.00000000 7125.88318652 7232.37107571 0.01472379 38 | 386.00000000 5879.24063246 6008.47076591 0.02150799 39 | 387.00000000 4594.40505636 4709.20503580 0.02437778 40 | 388.00000000 3531.30840105 3620.94135009 0.02475405 41 | 389.00000000 2726.15258032 2792.93187994 0.02391011 42 | 390.00000000 2133.47509827 2182.78652201 0.02259104 43 | 391.00000000 1697.67062011 1734.37286821 0.02116168 44 | 392.00000000 1373.72644481 1401.44965425 0.01978181 45 | 393.00000000 1129.18595904 1150.48411417 0.01851234 46 | 394.00000000 941.49005200 958.13208515 0.01736925 47 | 395.00000000 795.05808331 808.27270190 0.01634921 48 | 396.00000000 679.05610739 689.70619839 0.01544149 49 | 397.00000000 585.85596887 594.55639808 0.01463348 50 | 398.00000000 510.20623884 517.40554533 0.01391424 51 | 399.00000000 447.98723975 454.01256111 0.01327127 52 | 400.00000000 396.17035812 401.26370130 0.01269326 53 | 401.00000000 352.79440103 357.14229916 0.01217413 54 | 402.00000000 315.98074713 319.72270257 0.01170375 55 | 403.00000000 284.49062972 287.73512678 0.01127599 56 | 404.00000000 257.36038207 260.19273780 0.01088561 57 | 405.00000000 233.83219915 236.32021490 0.01052815 58 | 406.00000000 213.30409729 215.50223126 0.01020005 59 | 407.00000000 195.29357604 197.24583350 0.00989759 60 | 408.00000000 179.41035498 181.15264392 0.00961779 61 | 409.00000000 165.33606945 166.89809063 0.00935913 62 | 410.00000000 152.80948429 154.21572479 0.00911866 63 | 411.00000000 141.61434588 142.88526146 0.00889466 64 | 412.00000000 131.57057631 132.72337459 0.00868572 65 | 413.00000000 122.52732537 123.57654974 0.00849048 66 | 414.00000000 114.27761584 115.23743596 0.00832907 67 | 415.00000000 106.70485468 107.58537650 0.00818440 68 | 416.00000000 99.75614494 100.56537227 0.00804678 69 | 417.00000000 93.36789116 94.11287353 0.00791584 70 | 418.00000000 87.48422742 88.17117651 0.00779108 71 | 419.00000000 82.05591233 82.69032404 0.00767214 72 | 420.00000000 77.03943579 77.62617959 0.00755858 73 | -------------------------------------------------------------------------------- /data/wave_cext_d/wave_cext_d_infty_gold.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cext, d=infty 2 | 450.000 210.16652415 3 | 451.000 210.31914488 4 | 452.000 210.45903002 5 | 453.000 210.59910834 6 | 454.000 210.73934958 7 | 455.000 210.87972309 8 | 456.000 211.02019780 9 | 457.000 211.16074219 10 | 458.000 211.30132430 11 | 459.000 211.44191174 12 | 460.000 211.58247165 13 | 461.000 211.72297075 14 | 462.000 211.86337526 15 | 463.000 212.00365094 16 | 464.000 212.14376310 17 | 465.000 212.28367654 18 | 466.000 212.42335557 19 | 467.000 212.56276405 20 | 468.000 212.70186530 21 | 469.000 212.84062214 22 | 470.000 212.97899693 23 | 471.000 213.11695143 24 | 472.000 214.16229837 25 | 473.000 215.89418666 26 | 474.000 217.65408050 27 | 475.000 219.44267315 28 | 476.000 221.26068159 29 | 477.000 223.10884736 30 | 478.000 224.98793773 31 | 479.000 226.89874680 32 | 480.000 228.84209662 33 | 481.000 230.81883853 34 | 482.000 232.82985428 35 | 483.000 234.87605755 36 | 484.000 236.95839535 37 | 485.000 239.07784948 38 | 486.000 241.23543818 39 | 487.000 243.43221779 40 | 488.000 245.66928453 41 | 489.000 247.94777642 42 | 490.000 250.26887517 43 | 491.000 252.63380836 44 | 492.000 255.04385162 45 | 493.000 257.50033095 46 | 494.000 260.00462528 47 | 495.000 262.55816894 48 | 496.000 265.29365527 49 | 497.000 270.05154159 50 | 498.000 274.91113561 51 | 499.000 279.87302790 52 | 500.000 284.93739259 53 | 501.000 290.10390784 54 | 502.000 295.37166441 55 | 503.000 300.73906115 56 | 504.000 306.20368541 57 | 505.000 311.76217688 58 | 506.000 317.41007287 59 | 507.000 323.14163308 60 | 508.000 328.94964181 61 | 509.000 334.82518583 62 | 510.000 340.75740576 63 | 511.000 346.73321951 64 | 512.000 352.73701663 65 | 513.000 358.75032277 66 | 514.000 364.75143498 67 | 515.000 370.71502904 68 | 516.000 376.61172431 69 | 517.000 382.40772152 70 | 518.000 388.06424895 71 | 519.000 393.53719159 72 | 520.000 398.77665043 73 | 521.000 403.32347412 74 | 522.000 400.91953142 75 | 523.000 398.04570144 76 | 524.000 394.70406272 77 | 525.000 390.89985167 78 | 526.000 386.64147861 79 | 527.000 381.94049083 80 | 528.000 376.81148237 81 | 529.000 371.27195128 82 | 530.000 365.34210793 83 | 531.000 359.04463803 84 | 532.000 352.40442674 85 | 533.000 345.44825048 86 | 534.000 338.20444430 87 | 535.000 330.70255318 88 | 536.000 322.97297570 89 | 537.000 315.04660844 90 | 538.000 306.95449884 91 | 539.000 298.72751388 92 | 540.000 290.39603064 93 | 541.000 281.98965379 94 | 542.000 273.53696395 95 | 543.000 265.06529982 96 | 544.000 256.60057529 97 | 545.000 248.16713214 98 | 546.000 239.78763456 99 | 547.000 231.48296265 100 | 548.000 223.27220815 101 | 549.000 215.58138953 102 | 550.000 208.65587521 103 | 551.000 201.92802932 104 | 552.000 195.35966402 105 | 553.000 188.95281665 106 | 554.000 182.70879955 107 | 555.000 176.62826463 108 | 556.000 170.71126613 109 | 557.000 164.95732044 110 | 558.000 159.36546318 111 | 559.000 153.93430309 112 | 560.000 148.66207269 113 | 561.000 143.54667557 114 | 562.000 138.58573030 115 | 563.000 133.77661112 116 | 564.000 129.11648526 117 | 565.000 124.60234719 118 | 566.000 120.23104979 119 | 567.000 115.99933273 120 | 568.000 111.90384789 121 | 569.000 107.94118261 122 | 570.000 104.10788006 123 | 571.000 100.40045776 124 | 572.000 96.81542374 125 | 573.000 93.34929099 126 | 574.000 89.99859003 127 | 575.000 86.75987990 128 | 576.000 83.61496506 129 | 577.000 80.57648215 130 | 578.000 77.64105991 131 | 579.000 74.80538891 132 | 580.000 72.06622647 133 | 581.000 69.42040056 134 | 582.000 66.86481302 135 | 583.000 64.76814603 136 | 584.000 62.77616085 137 | 585.000 60.85088255 138 | 586.000 58.98980767 139 | 587.000 57.19053242 140 | 588.000 55.45074891 141 | 589.000 53.76824151 142 | 590.000 52.14088326 143 | 591.000 50.56663246 144 | 592.000 49.04352926 145 | 593.000 47.56969240 146 | 594.000 46.14331605 147 | 595.000 44.76266673 148 | 596.000 43.42608039 149 | 597.000 42.13195954 150 | 598.000 40.87877050 151 | 599.000 39.66504077 152 | 600.000 38.48935647 153 | -------------------------------------------------------------------------------- /data/wave_cext_d/multiple_sphere_d=1gold.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cextmultiple_sphere_d=1 2 | 450.000 214.25510868 3 | 451.000 214.41169795 4 | 452.000 214.54914563 5 | 453.000 214.68659174 6 | 454.000 214.82400426 7 | 455.000 214.96135069 8 | 456.000 215.09859816 9 | 457.000 215.23571331 10 | 458.000 215.37266244 11 | 459.000 215.50941126 12 | 460.000 215.64592644 13 | 461.000 215.78216883 14 | 462.000 215.91810684 15 | 463.000 216.05370305 16 | 464.000 216.18892091 17 | 465.000 216.32372337 18 | 466.000 216.45807292 19 | 467.000 216.59193153 20 | 468.000 216.72526068 21 | 469.000 216.85802137 22 | 470.000 216.99017405 23 | 471.000 217.12167867 24 | 472.000 218.19564801 25 | 473.000 219.98202214 26 | 474.000 221.79646716 27 | 475.000 223.63967361 28 | 476.000 225.51235516 29 | 477.000 227.41524959 30 | 478.000 229.34911971 31 | 479.000 231.31475448 32 | 480.000 233.31297023 33 | 481.000 235.34461162 34 | 482.000 237.41055306 35 | 483.000 239.51169993 36 | 484.000 241.64898992 37 | 485.000 243.82339454 38 | 486.000 246.03592057 39 | 487.000 248.28761166 40 | 488.000 250.57955004 41 | 489.000 252.91285827 42 | 490.000 255.28870107 43 | 491.000 257.70828735 44 | 492.000 260.17287224 45 | 493.000 262.68375929 46 | 494.000 265.24230276 47 | 495.000 267.84991008 48 | 496.000 270.64908161 49 | 497.000 275.62202392 50 | 498.000 280.70798693 51 | 499.000 285.90846580 52 | 500.000 291.22461857 53 | 501.000 296.65719257 54 | 502.000 302.20643930 55 | 503.000 307.87201677 56 | 504.000 313.65287550 57 | 505.000 319.54712511 58 | 506.000 325.55190134 59 | 507.000 331.66316295 60 | 508.000 337.87552657 61 | 509.000 344.18204168 62 | 510.000 350.57391186 63 | 511.000 357.04023441 64 | 512.000 363.56773385 65 | 513.000 370.14029228 66 | 514.000 376.73861466 67 | 515.000 383.33989727 68 | 516.000 389.91718202 69 | 517.000 396.43900099 70 | 518.000 402.86875086 71 | 519.000 409.16431056 72 | 520.000 415.27722704 73 | 521.000 420.72750327 74 | 522.000 418.88740405 75 | 523.000 416.55441519 76 | 524.000 413.72652815 77 | 525.000 410.40495626 78 | 526.000 406.59425042 79 | 527.000 402.30241580 80 | 528.000 397.54078563 81 | 529.000 392.32411071 82 | 530.000 386.67009441 83 | 531.000 380.59955209 84 | 532.000 374.13599551 85 | 533.000 367.30534724 86 | 534.000 360.13551730 87 | 535.000 352.65640510 88 | 536.000 344.89900838 89 | 537.000 336.89555234 90 | 538.000 328.67865741 91 | 539.000 320.28132043 92 | 540.000 311.73631421 93 | 541.000 303.07600277 94 | 542.000 294.33187981 95 | 543.000 285.53447724 96 | 544.000 276.71297722 97 | 545.000 267.89504382 98 | 546.000 259.10671895 99 | 547.000 250.37222510 100 | 548.000 241.71391179 101 | 549.000 233.56550054 102 | 550.000 226.18482795 103 | 551.000 219.00355370 104 | 552.000 211.98356914 105 | 553.000 205.12818493 106 | 554.000 198.43978981 107 | 555.000 191.92007165 108 | 556.000 185.56992284 109 | 557.000 179.38962539 110 | 558.000 173.37888533 111 | 559.000 167.53685662 112 | 560.000 161.86227203 113 | 561.000 156.35338173 114 | 562.000 151.00813967 115 | 563.000 145.82414253 116 | 564.000 140.79876287 117 | 565.000 135.92909780 118 | 566.000 131.21207315 119 | 567.000 126.64445874 120 | 568.000 122.22290288 121 | 569.000 117.94392825 122 | 570.000 113.80401213 123 | 571.000 109.79956008 124 | 572.000 105.92694854 125 | 573.000 102.18255042 126 | 574.000 98.56272417 127 | 575.000 95.06385200 128 | 576.000 91.66683623 129 | 577.000 88.38487308 130 | 578.000 85.21438231 131 | 579.000 82.15184200 132 | 580.000 79.19379028 133 | 581.000 76.33683514 134 | 582.000 73.57765526 135 | 583.000 71.30149550 136 | 584.000 69.13801837 137 | 585.000 67.04741035 138 | 586.000 65.02693720 139 | 587.000 63.07396413 140 | 588.000 61.18596641 141 | 589.000 59.36052555 142 | 590.000 57.59531591 143 | 591.000 55.88809679 144 | 592.000 54.23671997 145 | 593.000 52.63913530 146 | 594.000 51.09336509 147 | 595.000 49.59750307 148 | 596.000 48.14973885 149 | 597.000 46.74831102 150 | 598.000 45.39155154 151 | 599.000 44.07784100 152 | 600.000 42.80562804 153 | -------------------------------------------------------------------------------- /data/wave_cext_d/multiple_sphere_d=2gold.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cextmultiple_sphere_d=2 2 | 450.000 212.83411015 3 | 451.000 212.98955296 4 | 452.000 213.12814535 5 | 453.000 213.26680421 6 | 454.000 213.40549809 7 | 455.000 213.54419519 8 | 456.000 213.68286320 9 | 457.000 213.82146946 10 | 458.000 213.95998077 11 | 459.000 214.09836358 12 | 460.000 214.23658394 13 | 461.000 214.37460698 14 | 462.000 214.51239809 15 | 463.000 214.64992541 16 | 464.000 214.78714191 17 | 465.000 214.92402224 18 | 466.000 215.06052587 19 | 467.000 215.19661537 20 | 468.000 215.33225290 21 | 469.000 215.46740010 22 | 470.000 215.60201798 23 | 471.000 215.73606695 24 | 472.000 216.80058631 25 | 473.000 218.56867875 26 | 474.000 220.36483836 27 | 475.000 222.18975740 28 | 476.000 224.04415152 29 | 477.000 225.92876066 30 | 478.000 227.84435009 31 | 479.000 229.79171159 32 | 480.000 231.77166437 33 | 481.000 233.78505654 34 | 482.000 235.83276616 35 | 483.000 237.91570316 36 | 484.000 240.03480821 37 | 485.000 242.19105924 38 | 486.000 244.38546766 39 | 487.000 246.61908325 40 | 488.000 248.89299440 41 | 489.000 251.20833075 42 | 490.000 253.56626458 43 | 491.000 255.96801309 44 | 492.000 258.41484038 45 | 493.000 260.90808690 46 | 494.000 263.44906403 47 | 495.000 266.03921720 48 | 496.000 268.81764884 49 | 497.000 273.71741117 50 | 498.000 278.72630690 51 | 499.000 283.84551323 52 | 500.000 289.07584094 53 | 501.000 294.41765910 54 | 502.000 299.87080753 55 | 503.000 305.43449564 56 | 504.000 311.10718702 57 | 505.000 316.88646615 58 | 506.000 322.76888692 59 | 507.000 328.74979943 60 | 508.000 334.82315336 61 | 509.000 340.98127533 62 | 510.000 347.21461816 63 | 511.000 353.51147898 64 | 512.000 359.85765959 65 | 513.000 366.23624844 66 | 514.000 372.62697721 67 | 515.000 379.00606420 68 | 516.000 385.34563436 69 | 517.000 391.61326687 70 | 518.000 397.77149596 71 | 519.000 403.77729952 72 | 520.000 409.58159332 73 | 521.000 414.71123547 74 | 522.000 412.66382563 75 | 523.000 410.13089178 76 | 524.000 407.11189173 77 | 525.000 403.60952422 78 | 526.000 399.62980614 79 | 527.000 395.18209848 80 | 528.000 390.27899287 81 | 529.000 384.93624048 82 | 530.000 379.17264512 83 | 531.000 373.00974658 84 | 532.000 366.47164469 85 | 533.000 359.58466533 86 | 534.000 352.37705182 87 | 535.000 344.87856225 88 | 536.000 337.12017747 89 | 537.000 329.13364314 90 | 538.000 320.95115698 91 | 539.000 312.60497433 92 | 540.000 304.12710648 93 | 541.000 295.54891759 94 | 542.000 286.90096203 95 | 543.000 278.21259404 96 | 544.000 269.51185331 97 | 545.000 260.82522149 98 | 546.000 252.17749586 99 | 547.000 243.59175528 100 | 548.000 235.08909665 101 | 549.000 227.10097251 102 | 550.000 219.88084217 103 | 551.000 212.85990446 104 | 552.000 205.99989906 105 | 553.000 199.30370040 106 | 554.000 192.77324743 107 | 555.000 186.40984755 108 | 556.000 180.21407598 109 | 557.000 174.18591662 110 | 558.000 168.32481136 111 | 559.000 162.62970358 112 | 560.000 157.09912701 113 | 561.000 151.73119800 114 | 562.000 146.52372279 115 | 563.000 141.47423118 116 | 564.000 136.57996325 117 | 565.000 131.83802552 118 | 566.000 127.24526330 119 | 567.000 122.79843361 120 | 568.000 118.49422798 121 | 569.000 114.32909172 122 | 570.000 110.29962641 123 | 571.000 106.40217483 124 | 572.000 102.63318356 125 | 573.000 98.98912493 126 | 574.000 95.46635244 127 | 575.000 92.06135230 128 | 576.000 88.75525931 129 | 577.000 85.56115495 130 | 578.000 82.47554072 131 | 579.000 79.49489773 132 | 580.000 76.61590062 133 | 581.000 73.83519794 134 | 582.000 71.14956605 135 | 583.000 68.93833324 136 | 584.000 66.83692122 137 | 585.000 64.80611951 138 | 586.000 62.84334208 139 | 587.000 60.94599314 140 | 588.000 59.11162981 141 | 589.000 57.33792330 142 | 590.000 55.62260141 143 | 591.000 53.96351221 144 | 592.000 52.35856456 145 | 593.000 50.80576341 146 | 594.000 49.30320700 147 | 595.000 47.84906381 148 | 596.000 46.44154427 149 | 597.000 45.07895759 150 | 598.000 43.75969862 151 | 599.000 42.48217804 152 | 600.000 41.24491615 153 | -------------------------------------------------------------------------------- /data/wave_cext_d/multiple_sphere_d=4gold.txt: -------------------------------------------------------------------------------- 1 | # lambda [nm], Cextmultiple_sphere_d=4 2 | 450.000 211.41993818 3 | 451.000 211.57396003 4 | 452.000 211.71333413 5 | 453.000 211.85284203 6 | 454.000 211.99245291 7 | 455.000 212.13213557 8 | 456.000 212.27185836 9 | 457.000 212.41158919 10 | 458.000 212.55129558 11 | 459.000 212.69094454 12 | 460.000 212.83050265 13 | 461.000 212.96993606 14 | 462.000 213.10921042 15 | 463.000 213.24829093 16 | 464.000 213.38714226 17 | 465.000 213.52572869 18 | 466.000 213.66401397 19 | 467.000 213.80196133 20 | 468.000 213.93953355 21 | 469.000 214.07669286 22 | 470.000 214.21340100 23 | 471.000 214.34961917 24 | 472.000 215.40413689 25 | 473.000 217.15324999 26 | 474.000 218.93040408 27 | 475.000 220.73629224 28 | 476.000 222.57163108 29 | 477.000 224.43716171 30 | 478.000 226.33365078 31 | 479.000 228.26189158 32 | 480.000 230.22270524 33 | 481.000 232.21694190 34 | 482.000 234.24548195 35 | 483.000 236.30923753 36 | 484.000 238.40915373 37 | 485.000 240.54621029 38 | 486.000 242.72142304 39 | 487.000 244.93584560 40 | 488.000 247.19057112 41 | 489.000 249.48673418 42 | 490.000 251.82551267 43 | 491.000 254.20812990 44 | 492.000 256.63585673 45 | 493.000 259.11001390 46 | 494.000 261.63197448 47 | 495.000 264.20316637 48 | 496.000 266.95929832 49 | 497.000 271.78438063 50 | 498.000 276.71467729 51 | 499.000 281.75105342 52 | 500.000 286.89398094 53 | 501.000 292.14346071 54 | 502.000 297.49893284 55 | 503.000 302.95917375 56 | 504.000 308.52217831 57 | 505.000 314.18502489 58 | 506.000 319.94372189 59 | 507.000 325.79303339 60 | 508.000 331.72628148 61 | 509.000 337.73512365 62 | 510.000 343.80932343 63 | 511.000 349.93639038 64 | 512.000 356.10138868 65 | 513.000 362.28651759 66 | 514.000 368.47075683 67 | 515.000 374.62946232 68 | 516.000 380.73393273 69 | 517.000 386.75095412 70 | 518.000 392.64232672 71 | 519.000 398.36439385 72 | 520.000 403.86757634 73 | 521.000 408.68599907 74 | 522.000 406.44561608 75 | 523.000 403.72775362 76 | 524.000 400.53328699 77 | 525.000 396.86629709 78 | 526.000 392.73410840 79 | 527.000 388.14727133 80 | 528.000 383.11948883 81 | 529.000 377.66749254 82 | 530.000 371.81086311 83 | 531.000 365.57180502 84 | 532.000 358.97487579 85 | 533.000 352.04668383 86 | 534.000 344.81555505 87 | 535.000 337.31118021 88 | 536.000 329.56425191 89 | 537.000 321.60609980 90 | 538.000 313.46833106 91 | 539.000 305.18248430 92 | 540.000 296.77970473 93 | 541.000 288.29044488 94 | 542.000 279.74419575 95 | 543.000 271.16925187 96 | 544.000 262.59251207 97 | 545.000 254.03931633 98 | 546.000 245.53331947 99 | 547.000 237.09639870 100 | 548.000 228.74859669 101 | 549.000 220.91858836 102 | 550.000 213.85553878 103 | 551.000 206.99099923 104 | 552.000 200.28673999 105 | 553.000 193.74514865 106 | 554.000 187.36784852 107 | 555.000 181.15576743 108 | 556.000 175.10920044 109 | 557.000 169.22787256 110 | 558.000 163.51099897 111 | 559.000 157.95733846 112 | 560.000 152.56524932 113 | 561.000 147.33273702 114 | 562.000 142.25753362 115 | 563.000 137.33700503 116 | 564.000 132.56839641 117 | 565.000 127.94873028 118 | 566.000 123.47487196 119 | 567.000 119.14356158 120 | 568.000 114.95144023 121 | 569.000 110.89507541 122 | 570.000 106.97098054 123 | 571.000 103.17563732 124 | 572.000 99.50551112 125 | 573.000 95.95706663 126 | 574.000 92.52678219 127 | 575.000 89.21116049 128 | 576.000 85.99171918 129 | 577.000 82.88127617 130 | 578.000 79.87639612 131 | 579.000 76.97370427 132 | 580.000 74.16989164 133 | 581.000 71.46171880 134 | 582.000 68.84602280 135 | 583.000 66.69643507 136 | 584.000 64.65389656 137 | 585.000 62.67988292 138 | 586.000 60.77182166 139 | 587.000 58.92724248 140 | 588.000 57.14377351 141 | 589.000 55.41913263 142 | 590.000 53.75114424 143 | 591.000 52.13770703 144 | 592.000 50.57679719 145 | 593.000 49.06649184 146 | 594.000 47.60492765 147 | 595.000 46.19032376 148 | 596.000 44.82097336 149 | 597.000 43.49523061 150 | 598.000 42.21152004 151 | 599.000 40.96832818 152 | 600.000 39.76419728 153 | -------------------------------------------------------------------------------- /reports/styles/custom.css: -------------------------------------------------------------------------------- 1 | 2 | 3 | 4 | 129 | 145 | -------------------------------------------------------------------------------- /data/wave_cext_d_prot_sensor/test_join_sort/BSA_sensorR100_2p_ef0.0037/merge_and_sort.ipynb: -------------------------------------------------------------------------------- 1 | { 2 | "cells": [ 3 | { 4 | "cell_type": "code", 5 | "execution_count": 1, 6 | "metadata": { 7 | "collapsed": true 8 | }, 9 | "outputs": [], 10 | "source": [ 11 | "def merge_sort(src1, src2, dest):\n", 12 | " with open(src1, 'r') as s1, open(src2, 'r') as s2, open(dest, 'w') as d:\n", 13 | " l = list(s1) + list(s2)\n", 14 | " l.sort()\n", 15 | " l.pop(0)\n", 16 | " c = ''.join(l)\n", 17 | " d.write(c)" 18 | ] 19 | }, 20 | { 21 | "cell_type": "code", 22 | "execution_count": 3, 23 | "metadata": { 24 | "collapsed": true 25 | }, 26 | "outputs": [], 27 | "source": [ 28 | "#files_list = [['BSA_sensor_d=1_int.txt', 'BSA_sensor_d=1.txt', 'BSA_sensor_d=1_total.txt'],\n", 29 | "# ['BSA_sensor_d=2_int.txt', 'BSA_sensor_d=2.txt', 'BSA_sensor_d=2_total.txt'], \n", 30 | "# ['BSA_sensor_d=4_int.txt', 'BSA_sensor_d=4.txt', 'BSA_sensor_d=4_total.txt'],\n", 31 | "# ['BSA_sensor_d=infty_int.txt', 'BSA_sensor_d=infty.txt', 'BSA_sensor_d=infty_total.txt']]\n", 32 | "\n", 33 | "#files_list_R125 = [['BSA_sensorR125_d=1.txt', 'BSA_sensorR125_d=1_half.txt', 'BSA_sensorR125_d=1_total.txt'],\n", 34 | "# ['BSA_sensorR125_d=2.txt', 'BSA_sensorR125_d=2_half.txt', 'BSA_sensorR125_d=2_total.txt'], \n", 35 | "# ['BSA_sensorR125_d=4.txt', 'BSA_sensorR125_d=4_half.txt', 'BSA_sensorR125_d=4_total.txt'],\n", 36 | "# ['BSA_sensorR125_d=infty.txt', 'BSA_sensorR125_d=infty_half.txt', 'BSA_sensorR125_d=infty_total.txt']]\n", 37 | "\n", 38 | "#files_d1 = [['BSA_sensorR125_d=1_dens1.txt', 'BSA_sensorR125_d=1_dens1_half.txt', 'BSA_sensorR125_d=1_dens1_total.txt'],\n", 39 | "# ['BSA_sensorR125_d=infty.txt', 'BSA_sensorR125_d=infty_half.txt', 'BSA_sensorR125_d=infty_total.txt']]\n", 40 | "\n", 41 | "#files_ef = [['BSA_sensorR125_d=1_6030_ef0.0037.txt', 'BSA_sensorR125_d=1_6030_ef0.0037_half.txt', 'BSA_sensorR125_d=1_6030_ef0.0037_total.txt'],\n", 42 | "# ['BSA_sensorR125_d=infty_ef0.0037.txt', 'BSA_sensorR125_d=infty_half_ef0.0037.txt', 'BSA_sensorR125_d=infty_ef0.0037_total.txt']]\n", 43 | "\n", 44 | "files_3p = [['BSA_sensorR125_3prot_d=1_ef0.0037.txt', 'BSA_sensorR125_3prot_d=1_ef0.0037_half.txt', 'BSA_sensorR125_3prot_d=1_ef0.0037_total.txt']]\n", 45 | "\n", 46 | "files_2p =[['BSA_sensorR125_2pz_d=1_ef0.0037.txt', 'BSA_sensorR125_2pz_d=1_ef0.0037_half.txt', 'BSA_sensorR125_2pz_d=1_ef0.0037_total.txt']]\n", 47 | "\n", 48 | "files_2p_00 =[['BSA_sensorR125_2pz_d=1_00_ef0.0037.txt', 'BSA_sensorR125_2pz_d=1_00_ef0.0037_half.txt', 'BSA_sensorR125_2pz_d=1_00_ef0.0037_total.txt']]\n", 49 | "\n", 50 | "files_3p_00 =[['BSA_sensorR125_3prot_d=1_00_ef0.0037.txt', 'BSA_sensorR125_3prot_d=1_00_ef0.0037_half.txt', 'BSA_sensorR125_3prot_d=1_00_ef0.0037_total.txt']]\n", 51 | "\n", 52 | "files_4p_00 =[['BSA_sensorR125_4prot_d=1_00_ef0.0037.txt', 'BSA_sensorR125_4prot_d=1_00_ef0.0037_half.txt', 'BSA_sensorR125_4prot_d=1_00_ef0.0037_total.txt']]\n", 53 | "\n", 54 | "files_2p_100 = [['BSA_sensorR100_d=infty_ef0.0037.txt', 'BSA_sensorR100_d=infty_half_ef0.0037.txt', 'BSA_sensorR100_d=infty_ef0.0037_total.txt'],\n", 55 | " ['BSA_sensorR100_2prot_ef0.0037.txt', 'BSA_sensorR100_2prot_ef0.0037_half.txt', 'BSA_sensorR100_2prot_ef0.0037_total.txt\n", 56 | "\n", 57 | "for files in files_4p_00:\n", 58 | " src1 = files[0] \n", 59 | " src2 = files[1]\n", 60 | " dest = files[2]\n", 61 | "\n", 62 | " merge_sort(src1, src2, dest)" 63 | ] 64 | }, 65 | { 66 | "cell_type": "code", 67 | "execution_count": null, 68 | "metadata": { 69 | "collapsed": true 70 | }, 71 | "outputs": [], 72 | "source": [] 73 | } 74 | ], 75 | "metadata": { 76 | "kernelspec": { 77 | "display_name": "Python 3", 78 | "language": "python", 79 | "name": "python3" 80 | }, 81 | "language_info": { 82 | "codemirror_mode": { 83 | "name": "ipython", 84 | "version": 3 85 | }, 86 | "file_extension": ".py", 87 | "mimetype": "text/x-python", 88 | "name": "python", 89 | "nbconvert_exporter": "python", 90 | "pygments_lexer": "ipython3", 91 | "version": "3.5.3" 92 | } 93 | }, 94 | "nbformat": 4, 95 | "nbformat_minor": 2 96 | } 97 | -------------------------------------------------------------------------------- /paper/convergence_analysis/convergence_helper.py: -------------------------------------------------------------------------------- 1 | '''This file contains functions that help to analyze and plot data related 2 | to the convergence analysis. 3 | ''' 4 | 5 | import numpy 6 | import pickle 7 | from matplotlib import pyplot, rcParams 8 | 9 | def pickleload(pickle_file): 10 | '''Loads a pickle file and assins it to a variable. 11 | ''' 12 | with open(pickle_file, 'rb') as f: 13 | dict_res = pickle.load(f) 14 | return dict_res 15 | 16 | def ord_convergence(array, rate): 17 | '''Computes the order of convergence given 3 scalar outputs of 3 different 18 | mesh refinments, saved in an array. The rate is how much the mesh is 19 | refined. In our case is 4. 20 | ''' 21 | 22 | ord_conv = numpy.log((array[-3] - array[-2])/(array[-2] - array[-1]))/numpy.log(rate) 23 | 24 | return ord_conv 25 | 26 | def richardson_extrapolation(array): 27 | '''Performs an estimate of the exact solution using Richardson 28 | extrapolation, given by 29 | 30 | f_ex = (f_1 * f_3 - f_2^2) / (f_3 - 2*f_2+f_1) 31 | 32 | where f_1 is a result from the finest grid and f_3 is from the coarsest. 33 | The grids f_1, f_2, f_3 should have the same refinement ratio (e.g. 4 -> 8 -> 16) 34 | 35 | Arguments: 36 | ---------- 37 | array: contains C_ext values of the sensor for the different meshes. 38 | 39 | Returns: 40 | -------- 41 | f_ex : float, richardson_extrapolation estimated exact solution. 42 | ''' 43 | 44 | f1 = array[-1] 45 | f2 = array[-2] 46 | f3 = array[-3] 47 | 48 | f_ex = (f1 * f3 - f2**2) / (f3 - 2 * f2 + f1) 49 | 50 | return f_ex 51 | 52 | 53 | def perc_error(Cext, rich_ext): 54 | '''Computes the relative and percentage error respect to the richardson 55 | extrapolation of a scalar quantity, in this case the different meshes 56 | values for the extinction cross section of the sensor. 57 | 58 | Arguments: 59 | ---------- 60 | Cext: array, extinction cross section values of the sensor for the 61 | different meshes. 62 | rich_ext: float, richardson_extrapolation estimated exact solution. 63 | 64 | Returns: 65 | -------- 66 | rel_err :array, relative error values respect to the richardson 67 | extrapolation. 68 | perc_err: array, percentage error values respect to the richardson 69 | extrapolation. 70 | ''' 71 | 72 | rel_err = abs((Cext - rich_ext)/rich_ext) 73 | perc_err = rel_err*100 74 | 75 | return rel_err, perc_err 76 | 77 | def plot_sph_complex_convergence(N, error, file_name=None, file_ext=None, paper=False): 78 | 79 | if paper: 80 | file_ext = 'pdf' 81 | pyplot.switch_backend('agg') 82 | fig = pyplot.figure(figsize=(3, 2)) 83 | ms = 5 84 | lw = 1 85 | fs = 10 86 | else: 87 | pyplot.figure(figsize=(6, 4)) 88 | ms = 10 89 | lw = 2 90 | fs = 12 91 | 92 | rcParams['font.family'] = 'serif' 93 | rcParams['font.size'] = fs 94 | rcParams['xtick.top'] = True 95 | rcParams['ytick.right'] = True 96 | rcParams['axes.linewidth'] = 1 97 | 98 | asymp = N[-3]*error[-3]/N 99 | 100 | pyplot.loglog(N, error, ls='',marker='o', c='k', mew=1, mfc='w', ms=ms, label='BSA_sensor') 101 | pyplot.loglog(N, asymp, c='k', marker='None', ls=':', lw=lw, label=None) 102 | 103 | 104 | loc = (3*N[-2]+N[-1])/4 105 | 106 | tex_loc = numpy.array((loc,N[-3]*error[-3]/loc)) 107 | 108 | 109 | pyplot.text(tex_loc[0], tex_loc[1],'N$^{-1}$', fontsize=fs, 110 | rotation=-35,rotation_mode='anchor') 111 | 112 | pyplot.xlabel('N') 113 | pyplot.ylabel('Relative error') 114 | pyplot.tick_params(axis='both', length=10, width=0.8, which='major', direction='in') 115 | pyplot.tick_params(axis='both', length=5, width=0.8, which='minor', direction='in') 116 | pyplot.ylim(1e-3,1) 117 | pyplot.xlim(1e2,1e5) 118 | pyplot.legend(loc='upper right', fontsize=fs, numpoints=1, handlelength=0.1).get_frame().set_lw(0.3) 119 | pyplot.grid(True, which="both") 120 | 121 | if (file_name and file_ext): 122 | #fig.subplots_adjust(left=0.235, bottom=0.25, right=0.965, top=0.95) 123 | fig.savefig(file_name+'.'+file_ext, format=file_ext, dpi=80, bbox_inches='tight', pad_inches=0.04) 124 | 125 | if paper : 126 | pyplot.close(fig) 127 | -------------------------------------------------------------------------------- /analysis_notebooks/scripts/generate_protein_dielectric.py: -------------------------------------------------------------------------------- 1 | import numpy 2 | import sys 3 | from argparse import ArgumentParser 4 | 5 | 6 | def read_inputs(args): 7 | """ 8 | Parse command-line arguments to read arguments in main. 9 | """ 10 | 11 | parser = ArgumentParser(description='Read arguments to determine wavelength range') 12 | parser.add_argument('-s', 13 | '--start', 14 | type=float, 15 | help="Start point for wavelength range") 16 | parser.add_argument('-e', 17 | '--end', 18 | type=float, 19 | help="End point for wavelength range") 20 | parser.add_argument('-n', 21 | '--points', 22 | type=int, 23 | help="Number of points in the wavelength range") 24 | 25 | return parser.parse_args(args) 26 | 27 | 28 | def protein_dielectric(lamb, Lambda_1, lambda_1, Lambda_array, lambda_array, gamma_array): 29 | '''Computes the value of dielectric constant of a protein for a certain 30 | wavelength. It uses Lorentz oscillators, obtained from Pahn, etal. 2013 31 | 32 | Arguments: 33 | ---------- 34 | lamb : float, wavelength in [nm] where we want to 35 | know the dielectric constant. 36 | Lambda_1 : float, Lorentz oscillator upper lambda 1. 37 | lambda_1 : float, Lorentz oscillator lower lambda 1. 38 | Lambda_array: array of floats, Lorentz oscillator upper lambda 2,3,4. 39 | lambda_array: array of floats, Lorentz oscillator lower lambda 2,3,4. 40 | gamma_array : array of floats, Lorentz oscillator gamma 2,3,4. 41 | 42 | Returns: 43 | -------- 44 | epsilon: complex, dielectric constant. 45 | ''' 46 | #Let's use the version 1/ thing so it's less confusing 47 | sigma_1 = 1/Lambda_1 48 | f_1 = 1/lambda_1 49 | 50 | sigma_array = 1/Lambda_array 51 | alpha_array = 1/gamma_array 52 | f_array = 1/lambda_array 53 | 54 | 55 | epsilon = 1 + sigma_1**2/(f_1**2 - (1/lamb**2)) + numpy.sum( 56 | sigma_array**2/(f_array**2 - 57 | 1j*alpha_array/lamb 58 | - (1/lamb**2))) 59 | 60 | return epsilon 61 | 62 | def main(argv=sys.argv): 63 | ''' 64 | We run protein dielectric for the case of BSA protein. 65 | 66 | Arguments passed: 67 | ----------------- 68 | lamb_start: float, start point for wavelength [nm] range to generate dielectric. 69 | lamb_end : float, end point for wavelength [nm] range to generate dielectric. 70 | num_points: int, number of points we want in the range. 71 | 72 | Returns: 73 | -------- 74 | wavelength: array, wavelength array. 75 | epsilon : array, dielectric constant array. 76 | 77 | ''' 78 | 79 | args = read_inputs(argv[1:]) 80 | 81 | lamb_start = args.start 82 | lamb_end = args.end 83 | num_points = args.points 84 | 85 | 86 | #define _1 variables 87 | Lambda_1 = 10853.54 88 | lambda_1 = 6059.8 89 | 90 | #define the rest (2-4) as an array 91 | 92 | Lambda_array = numpy.array([878.5, 92.6, 82.81]) 93 | gamma_array = numpy.array([2484.52, 155.28, 65.38]) 94 | lambda_array = numpy.array([194.1, 99.38, 57.78]) 95 | 96 | #Let's use the version 1/ thing so it's less confusing 97 | 98 | sigma_array = 1/Lambda_array 99 | alpha_array = 1/gamma_array 100 | f_array = 1/lambda_array 101 | 102 | 103 | wavelength = numpy.linspace(lamb_start,lamb_end,num_points) 104 | 105 | epsilon = numpy.zeros(len(wavelength), dtype=numpy.complex128) 106 | 107 | for i in range(len(wavelength)): 108 | epsilon[i] = protein_dielectric(wavelength[i], Lambda_1, lambda_1, 109 | Lambda_array, lambda_array, gamma_array) 110 | 111 | epsilon_real = epsilon.real 112 | epsilon_imag = epsilon.imag 113 | #if desired output of wavelength in Ang, multiply wavelength by 10 in following line 114 | numpy.savetxt('wave_prot_diel.txt', 115 | list(zip(wavelength*10, epsilon_real, epsilon_imag)), 116 | fmt='%.1f %.5e %.5e', 117 | header='lambda [nm], diel_prot_real, diel_prot_imag') 118 | 119 | return wavelength, epsilon 120 | 121 | if __name__ == "__main__": 122 | main(sys.argv) --------------------------------------------------------------------------------