File name: Pandora64s1_NewHavenCT_20240816_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240817T050230.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240816_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20240816 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20240816T121241.1Z 8994.508809 133 1 48.96 2 66.78 92.25 155.42 293.41 0.00 1 0.00 1 0 25 3.128e-02 8.487e-03 1.312e-02 2.295e-03 3.664763e-01 1.242336e-03 4.357542e-03 -6.000000e+00 1.918350e-02 231.71 -2.00 3.52 -2.00 318.23 0.00e+00 7.446782e-04 2.381983e-04 2.762366e-04 -6.000000e+00 8.595187e-04 289.92 -2.00 20.00 -2.00 317.38 0.00e+00 2.517 0.000 302.00 328.00 3 4.7811e+00 3.3692e-03 3.1933e-02 -6.0000e+00 4.7983e-02 5.7475e-02 3.8215e-03 1.9388e-02 -6.0000e+00 5.1667e-02 -1.0605e-02 2.4591e-03 9.4176e-03 -6.0000e+00 3.0812e-02 -4.6368e-03 1.2566e-03 2.6155e-03 -6.0000e+00 1.3081e-02 2.1929e-04 -3.6167e-04 7.1172e-05 3.0833e-05 -6.0000e+00 9.3143e-04 -1.8626e-03 -3.9482e-05 11 9 0 11 8 0 64.79 21.39 -0.05 -0.00186 -0.00458 18 4 1 5 0 2719.970 25.90 20.02 21.39 27.42 40.2 1032.93 -9205 -5924 -8138 -754 -25337 -3312 -6879 -1946 5583 -983 -8368 -3706 -6467 -3523 -1848 501 -934 2174 -1458 4660 2897 3038 1324 1694 -357 463 -66 -3240 528 -7871 -195 -635 2797 -366 -4448 -1088 -2185 -897 -1200 110 277 332 908 -2417 -537 -124 -234 108 -212 -1605 2022 1560 2064 -1 689 615 1055 228 603 400 965 1340 1437 2551 1235 -2020 433 -217 596 810 888 1083 -148 29 -573 -1350 71 -2522 -1326 -162 -1853 -1030 -2086 -1751 -555 -138 390 -105 1245 937 50 1135 -1183 -464 819 788 -317 917 388 -239 -853 -1443 -2134 316 216 -1549 -321 150 -342 374 1021 427 274 360 -413 -552 266 -306 471 462 -286 -291 671 174 1289 441 -1161 531 1004 382 406 -749 -693 -84 727 -131 -204 351 339 -413 -68 -954 -503 -335 -479 -38 -1518 -163 -383 -116 339 -66 -619 -292 -614 -379 -214 62 -124 300 -217 683 436 459 215 292 -66 87 -12 -588 90 -1535 -39 -138 646 -87 -1044 -261 -599 -273 -437 43 115 145 406 -1120 -246 -56 -106 49 -97 -774 1020 808 1130 -1 415 381 660 142 369 248 627 902 1044 1935 923 -1463 300 -154 466 675 784 937 -131 25 -444 -998 49 -1789 -1028 -135 -1680 -1020 -2122 -1879 -610 -160 468 -123 1478 1053 55 1138 -1198 -481 881 907 -395 1194 519 -310 -1080 -1763 -2561 394 278 -2031 -440 208 -509 573 1627 680 420 533 -597 -774 380 -443 723 709 -439 -451 1002 249 1807 597 -1554 737 1450 592 642 -1231 -1143 -145 1281 -234 -372 646 616 -749 -119 -1673 SS 20240816T121917.1Z 8994.513393 137 1 49.07 2 65.54 93.37 156.49 295.55 0.00 1 0.00 1 0 33 2.471e-02 8.503e-03 9.475e-03 1.979e-03 3.509111e-01 1.072364e-03 4.181403e-03 -6.000000e+00 1.515798e-02 231.71 -2.00 3.52 -2.00 318.00 0.00e+00 6.117617e-04 1.911665e-04 2.750299e-04 -6.000000e+00 6.791478e-04 289.92 -2.00 20.00 -2.00 317.15 0.00e+00 2.399 0.000 302.00 328.00 3 4.6626e+00 2.8873e-03 3.0471e-02 -6.0000e+00 3.7914e-02 5.4020e-02 3.2555e-03 1.8523e-02 -6.0000e+00 4.0824e-02 -1.9359e-02 2.0413e-03 8.9809e-03 -6.0000e+00 2.4346e-02 1.9936e-03 1.0327e-03 2.4665e-03 -6.0000e+00 1.0337e-02 2.8420e-04 -4.1446e-04 6.1467e-05 2.9471e-05 -6.0000e+00 7.3594e-04 -1.3575e-03 -6.2355e-06 11 8 0 10 0 0 86.49 21.40 0.14 -0.00136 -0.00447 22 5 1 5 0 2230.280 25.90 20.01 21.40 27.53 40.4 1033.50 -8961 -3255 -8015 -7698 -472 -6950 -7215 -9879 3034 -3066 -9149 -475 -4883 -3428 258 -1078 -3573 783 -1655 3707 3861 2228 5650 1878 73 984 261 -2873 -707 -5554 1504 -448 2727 -40 -4788 -2505 -1099 -1995 1000 614 -404 -1654 359 -2082 180 165 -197 -749 -358 -3025 1958 1198 1910 1193 1077 464 1635 -15 669 522 588 1769 1762 2467 1208 -1275 335 -745 857 1156 772 481 66 237 -353 -1358 -447 -2844 -663 -321 -1704 -1395 -2017 -1790 -324 -460 229 343 1154 881 221 715 -1160 13 777 523 -412 747 655 -552 -724 -1539 -1952 24 252 -1639 -321 -24 -211 427 992 273 52 306 55 -445 408 -152 543 256 -148 -333 871 154 980 773 -1015 753 825 297 410 -641 -293 -252 705 -6 -633 384 215 -561 13 -903 -589 -215 -564 -528 -28 -449 -509 -752 237 -249 -798 -42 -527 -423 35 -164 -585 131 -294 651 683 402 1038 381 15 204 57 -608 -143 -1227 341 -105 680 -10 -1212 -654 -319 -690 378 265 -189 -773 170 -1009 86 79 -98 -375 -179 -1530 1019 672 1128 750 660 294 1037 -10 417 330 390 1259 1289 1888 909 -966 244 -557 666 999 677 433 58 208 -285 -1053 -324 -2111 -531 -276 -1580 -1358 -2086 -1956 -360 -541 278 405 1390 1004 245 732 -1199 13 844 605 -513 967 869 -713 -913 -1888 -2346 31 323 -2142 -439 -34 -310 643 1552 428 78 445 78 -614 571 -215 816 399 -231 -507 1278 224 1360 1071 -1391 1025 1212 450 630 -1022 -482 -420 1237 -10 -1146 699 388 -982 22 -1531 SS 20240816T122806.0Z 8994.519513 142 1 48.13 2 63.89 94.88 157.87 298.65 0.00 1 0.00 1 0 25 3.577e-02 8.410e-03 6.114e-03 1.533e-03 3.321375e-01 8.302062e-04 3.962289e-03 -6.000000e+00 2.193956e-02 231.71 -2.00 3.52 -2.00 317.69 0.00e+00 7.625691e-04 1.360670e-04 1.898798e-04 -6.000000e+00 9.829962e-04 289.92 -2.00 20.00 -2.00 316.85 0.00e+00 2.259 0.000 302.00 328.00 3 4.3576e+00 2.2203e-03 2.8736e-02 -6.0000e+00 5.4876e-02 4.8716e-02 2.4937e-03 1.7487e-02 -6.0000e+00 5.9089e-02 -1.7292e-02 1.5235e-03 8.4782e-03 -6.0000e+00 3.5238e-02 1.4865e-03 7.5862e-04 2.3585e-03 -6.0000e+00 1.4961e-02 4.5459e-04 -4.2597e-04 4.7512e-05 2.8092e-05 -6.0000e+00 1.0652e-03 -1.7942e-03 -3.0469e-05 11 8 0 10 0 0 33.74 21.39 0.11 -0.00179 -0.00500 31 7 1 5 0 1552.430 25.90 20.02 21.39 27.86 40.5 1035.86 -474 -2544 1174 -5273 -38042 -3878 -2569 262 2542 -2963 -5296 -4064 -1712 -2682 2075 414 343 1635 486 2306 2098 1422 2232 1560 468 274 23 -1587 -1222 -3151 2512 -113 2136 -535 -4089 -2024 -1940 -941 411 39 -711 -365 16 -1207 -204 438 -363 -41 -323 -1130 1460 2005 1230 1581 539 826 1017 269 510 374 574 1537 1588 2476 1098 -1263 -599 -940 727 1103 132 380 -416 244 -346 -1004 -540 -2099 -1227 -443 -1369 -842 -2075 -1827 -604 -451 387 153 931 506 518 772 -677 -64 694 309 -426 974 539 -545 -594 -1519 -1909 254 182 -1413 -336 -81 -274 334 807 363 228 98 -97 -191 503 -249 640 393 52 -421 711 153 1199 722 -869 559 834 333 481 -425 -474 -125 587 -101 -528 272 291 -597 -35 -896 -37 -214 97 -422 -3925 -289 -206 23 236 -302 -556 -465 -222 -406 343 76 66 304 95 460 423 289 473 352 112 67 6 -366 -273 -745 615 -30 617 -157 -1179 -603 -650 -342 175 19 -347 -185 8 -637 -107 228 -188 -21 -166 -608 826 1203 788 1064 351 551 686 180 337 250 403 1158 1287 1968 857 -1000 -460 -731 580 977 118 347 -374 219 -287 -806 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