File name: Pandora64s1_NewHavenCT_20230709_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230710T195627.5Z 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 v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20230709_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: 20230709 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 20230709T114211.1Z 8590.487629 238 1 4.23 2 67.20 79.64 43.97 210.41 0.00 1 0.00 1 0 17 6.568e-02 1.210e-02 4.193e-02 8.086e-03 3.532522e-01 4.387223e-03 4.191207e-03 -6.000000e+00 4.048602e-02 232.95 -2.00 3.52 -2.00 317.98 0.00e+00 1.351293e-04 7.787232e-04 3.816147e-04 -6.000000e+00 1.796217e-03 288.73 -2.00 20.00 -2.00 317.16 0.00e+00 2.560 0.000 302.00 328.00 3 4.1990e+00 1.1826e-02 3.1908e-02 -6.0000e+00 1.0163e-01 3.0665e-02 1.3321e-02 1.8799e-02 -6.0000e+00 1.0932e-01 -5.0587e-03 8.4002e-03 9.0309e-03 -6.0000e+00 6.5076e-02 -1.2399e-03 4.2636e-03 2.4546e-03 -6.0000e+00 2.7548e-02 3.8834e-04 -8.3976e-04 2.4897e-04 2.8541e-05 -6.0000e+00 1.9561e-03 -6.5204e-03 -2.5967e-05 12 9 9 12 1 1 999.00 21.32 0.24 -0.00652 -0.01283 1 6 1 5 0 2024.340 25.90 19.97 21.32 32.19 38.6 1068.84 23588 -7860 36130 -22223 -31384 -31588 17085 -9385 11593 719 1302 -12455 12049 1838 724 -4831 8495 2509 11 -3308 5029 -3849 6952 3102 668 2682 2482 -9822 -6726 1538 -423 -2000 955 -1414 -2739 -1661 1391 -3132 2543 -1921 592 -617 -1479 -3342 -1396 195 -684 1190 2902 -3349 1322 4324 -191 2109 -486 806 2915 3126 -1053 2495 -1297 1055 -308 2216 1514 -1212 -89 -279 366 3498 714 1501 -706 -1027 -596 -672 1063 -1922 -3918 99 -733 -766 -2307 -1777 -1451 524 1281 -760 2039 1375 -720 -269 -1498 209 57 504 -853 985 807 -826 -986 -1509 -1052 332 28 -2087 -339 571 67 31 47 114 599 -389 -397 -209 913 289 794 759 509 99 1118 148 218 989 -1939 360 1552 302 1249 -506 -355 -557 235 -1123 -1098 265 885 1048 -898 -871 1136 -525 1677 -1614 -2318 -2386 913 -697 812 56 102 -1230 1085 213 98 -720 1227 390 2 -593 841 -706 1209 598 139 564 515 -2172 -1400 306 -95 -491 250 -380 -706 -445 388 -1081 946 -854 264 -291 -728 -1681 -692 95 -333 568 1365 -1743 710 2419 -114 1301 -304 511 1839 2029 -674 1623 -882 761 -234 1734 1165 -896 -66 -202 292 2908 625 1339 -630 -909 -482 -512 778 -1444 -3173 84 -675 -751 -2433 -1907 -1619 606 1536 -915 2437 1566 -801 -286 -1527 214 62 583 -1073 1295 1061 -1098 -1271 -1811 -1261 402 36 -2804 -459 806 99 48 74 177 914 -577 -567 -289 1271 411 1200 1157 776 148 1660 211 307 1366 -2668 493 2267 463 1943 -802 -581 -935 405 -1981 -1974 478 1573 1837 -1552 -1492 SS 20230709T115416.6Z 8590.496025 246 1 47.90 2 64.96 81.47 45.12 214.31 0.00 1 0.00 1 0 17 6.906e-02 1.173e-02 1.730e-02 3.417e-03 3.207878e-01 1.849502e-03 3.827339e-03 -6.000000e+00 4.265380e-02 232.95 -2.00 3.52 -2.00 318.33 0.00e+00 1.485409e-03 3.534526e-04 5.308746e-04 -6.000000e+00 1.889442e-03 288.73 -2.00 20.00 -2.00 317.50 0.00e+00 2.347 0.000 302.00 328.00 3 5.3374e+00 5.0284e-03 2.9170e-02 -6.0000e+00 1.0707e-01 4.1481e-02 5.6919e-03 1.7032e-02 -6.0000e+00 1.1511e-01 -5.0232e-03 3.6099e-03 8.3497e-03 -6.0000e+00 6.8523e-02 4.7286e-05 1.8283e-03 2.5296e-03 -6.0000e+00 2.9060e-02 1.5872e-04 1.6014e-03 1.0832e-04 2.8217e-05 -6.0000e+00 2.0535e-03 -8.7328e-03 3.9813e-04 12 9 8 11 8 0 99.98 21.27 -0.05 -0.00873 0.00330 50 12 1 5 0 957.650 25.90 20.02 21.27 32.90 38.8 1073.04 2435 -2304 -2466 -4971 -75142 449 5750 -13397 6705 -782 -3106 -3591 -3826 -1146 2959 5264 494 2201 1278 7217 1449 9298 3294 6207 60 4097 -1797 3034 -4197 1738 2604 4142 -373 3293 -2644 -951 -945 -1023 -947 991 -486 56 -362 -613 -710 446 791 232 -1346 -3502 1980 1465 645 1761 1244 -141 -101 -47 67 -272 494 1790 1696 3425 2590 -1400 443 -194 1213 1454 475 424 -78 81 -388 -2064 1289 -3200 -1466 -487 -972 -1579 -2208 -2290 -318 -1000 872 -251 1182 231 68 450 -1208 -1017 547 707 -285 1043 821 -587 -547 -1915 -2393 -393 353 -1457 -153 107 2 566 1366 478 426 253 -233 -689 332 -517 490 231 -87 236 1045 348 978 506 -1266 762 772 496 231 -461 -835 -132 324 243 -225 330 81 -187 -680 -649 147 -146 -169 -322 -8512 26 335 -992 472 -62 -252 -301 -373 -126 358 683 70 327 199 1106 238 1407 554 1070 11 774 -354 538 -775 313 508 856 -83 749 -603 -223 -235 -299 -329 384 -205 24 -156 -265 -309 203 353 104 -609 -1674 914 726 341 971 704 -83 -60 -28 39 -161 304 1178 1204 2515 1863 -976 294 -131 889 1128 395 362 -66 65 -301 -1473 835 -2151 -1061 -394 -835 -1500 -2229 -2446 -342 -1145 1022 -302 1387 259 74 453 -1163 -995 573 779 -351 1386 1122 -784 -686 -2257 -2764 -472 451 -1972 -216 150 3 900 2147 753 671 373 -321 -968 471 -741 742 365 -137 364 1556 496 1391 691 -1706 1053 1148 750 368 -758 -1422 -224 581 451 -429 636 155 -346 -1223 -1129 SS 20230709T135923.4Z 8590.582909 331 1 48.31 2 41.62 103.13 62.39 246.07 0.00 1 0.00 1 0 17 1.851e-02 9.154e-03 3.251e-03 1.868e-03 1.928163e-01 1.021263e-03 2.323134e-03 -6.000000e+00 1.141881e-02 232.95 -2.00 3.52 -2.00 315.69 0.00e+00 7.882719e-04 1.019655e-04 3.734865e-05 -6.000000e+00 5.064938e-04 288.74 -2.00 20.00 -2.00 314.94 0.00e+00 1.336 0.000 302.00 328.00 3 5.8024e+00 2.6613e-03 1.6913e-02 -6.0000e+00 2.8663e-02 5.0546e-02 2.9453e-03 1.0177e-02 -6.0000e+00 3.0827e-02 -4.0299e-03 1.6830e-03 4.9006e-03 -6.0000e+00 1.8350e-02 -2.2615e-03 7.5268e-04 1.4184e-03 -6.0000e+00 7.7739e-03 3.3419e-04 2.9834e-04 5.7593e-05 1.8087e-05 -6.0000e+00 5.5099e-04 -7.9154e-03 1.1329e-04 11 8 0 10 0 0 99.98 21.27 0.12 -0.00792 -0.00567 22 5 1 5 0 2195.760 25.79 19.97 21.27 34.10 39.1 1079.16 2263 70 1242 -1831 -17202 -641 -1101 -1415 2445 798 -3798 -1382 -462 -337 1309 1285 -1170 1535 1087 2530 1972 916 2199 1432 550 1346 381 -1358 -485 566 1734 -465 2444 -600 -3161 -1686 -1544 -1272 360 218 -336 -1386 99 -909 -353 -264 -525 -384 -766 -1485 1312 817 793 1170 198 276 1037 -79 -169 316 600 930 1029 2173 1291 -1323 -722 -1372 632 1350 506 840 -402 287 187 -838 -668 -2485 -1143 -312 -1283 -905 -1787 -1873 -499 -171 185 599 1100 604 97 334 -1313 -226 737 734 -175 1348 690 -413 -561 -1372 -1889 -63 292 -1386 -441 -27 -280 645 1010 557 184 64 -290 -569 332 -126 336 345 39 -78 696 177 1075 795 -1170 678 819 140 345 -607 -717 -526 704 -31 -260 214 470 -471 -269 -740 552 18 316 -433 -4315 -145 -266 -355 637 216 -1047 -392 -145 -117 497 487 -462 612 445 1055 829 385 943 644 257 636 176 -593 -211 244 777 -209 1138 -282 -1427 -780 -795 -717 235 152 -249 -1070 77 -712 -274 -203 -390 -278 -541 -1069 971 639 646 991 163 230 867 -66 -140 264 520 861 1008 2070 1241 -1192 -615 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