File name: Pandora55s1_QueensNY_20220301_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T112922.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20220301_L1_smca1c19d20211111p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20220301 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: None First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20220301T200602.7Z 8095.837531 354 1 15.51 2 63.17 231.32 76.73 233.05 0.00 1 0.00 1 0 25 3.619e-02 8.287e-03 1.222e-02 3.036e-03 3.400079e-01 1.561615e-03 4.074430e-03 -6.000000e+00 2.123756e-02 225.56 -2.00 3.51 -2.00 317.56 0.00e+00 -3.036824e-04 2.422158e-04 1.119061e-04 -6.000000e+00 9.245828e-04 276.23 -2.00 20.00 -2.00 316.95 0.00e+00 2.204 0.000 302.00 328.00 3 4.0331e+00 4.1197e-03 2.7971e-02 -6.0000e+00 5.2559e-02 1.8682e-02 4.6419e-03 1.7258e-02 -6.0000e+00 5.7147e-02 1.3863e-03 2.8727e-03 8.5750e-03 -6.0000e+00 3.3999e-02 -3.3572e-03 1.4352e-03 2.4340e-03 -6.0000e+00 1.4227e-02 6.7275e-04 -2.5955e-04 9.2952e-05 3.0407e-05 -6.0000e+00 1.0798e-03 -1.0664e-03 1.0299e-04 12 9 1 12 33 1 99.01 22.68 0.23 -0.00107 -0.00302 6 4 1 5 0 2189.650 25.58 19.99 22.68 12.84 30.7 1071.86 -9559 205 22059 -17258 4819 -2883 -11652 14677 4157 -7610 -7281 -3679 -10185 -3204 5892 -2001 -1178 690 2851 2231 3203 396 -812 -4883 -212 -3101 4466 -2153 -2731 -1192 697 2623 261 -4994 -274 4684 -882 -340 1339 89 -1809 1056 -2235 -85 -1437 1513 -2482 656 -1036 1514 1112 -488 -208 1557 2585 700 2842 579 1527 571 1232 2518 733 511 -765 -273 295 -520 1175 994 -735 -663 229 -1153 16 483 529 858 1166 -141 -981 -7 -1281 -1205 -1804 -703 -1597 -637 -1010 -407 -395 574 460 1094 843 562 385 613 -459 -618 -267 -672 325 1085 71 -528 33 -974 272 304 420 -599 -162 -160 -202 632 443 1237 288 -40 -850 -478 245 -5 274 -337 591 1002 801 43 578 398 629 599 481 -348 -254 204 -603 -642 -437 -186 -399 127 -769 17 1545 -1688 360 -220 -1001 1096 382 -829 -814 -413 -1335 -454 878 -356 -222 135 569 465 678 87 -183 -1190 -53 -827 1128 -561 -688 -291 173 693 76 -1587 -84 1340 -273 -117 521 40 -899 543 -1214 -46 -791 818 -1373 352 -560 810 615 -287 -129 993 1696 476 1947 405 1055 393 852 1780 555 408 -635 -224 231 -398 904 814 -653 -616 215 -1084 14 413 423 653 883 -113 -863 -7 -1288 -1260 -1961 -790 -1877 -767 -1231 -491 -465 642 489 1117 865 605 443 751 -598 -828 -353 -857 393 1281 86 -667 43 -1311 375 434 623 -922 -250 -243 -296 886 605 1681 403 -58 -1278 -723 366 -7 393 -474 804 1331 1075 60 842 600 966 935 770 -578 -433 353 -1057 -1127 -756 -315 -661 207 SS 20220301T201442.5Z 8095.843548 360 1 49.28 2 64.47 233.23 77.98 234.66 0.00 1 0.00 1 0 17 1.266e-01 1.512e-02 2.441e-02 3.450e-03 3.523788e-01 1.769047e-03 4.194348e-03 -6.000000e+00 7.424564e-02 225.56 -2.00 3.51 -2.00 318.35 0.00e+00 1.658967e-03 3.423761e-04 2.608522e-04 -6.000000e+00 3.233637e-03 276.23 -2.00 20.00 -2.00 317.74 0.00e+00 2.306 0.000 302.00 328.00 3 5.1666e+00 4.7403e-03 2.9242e-02 -6.0000e+00 1.8374e-01 3.6432e-02 5.3868e-03 1.8207e-02 -6.0000e+00 1.9985e-01 -8.9185e-03 3.5818e-03 8.9656e-03 -6.0000e+00 1.1889e-01 4.5911e-03 1.8482e-03 2.8911e-03 -6.0000e+00 4.9705e-02 1.8967e-04 -1.3523e-03 1.0672e-04 3.3257e-05 -6.0000e+00 3.7789e-03 9.9313e-04 -7.3258e-05 12 9 8 11 32 0 99.94 22.70 0.24 0.00099 -0.00917 18 3 1 5 0 2736.860 25.58 19.98 22.70 12.87 30.7 1071.81 5217 15826 -8873 27076 10423 27229 -36675 105693 11134 -12791 -21471 -20948 -32086 -14611 42831 -3141 -20489 -3962 10814 17041 20909 5269 853 -9358 -1393 -6668 30424 7674 -6972 -7171 338 7187 -1646 -11974 1317 -4810 -4906 -4215 5915 1344 -6797 1280 -22 -2932 -1228 7452 -4036 3256 453 4629 -519 1912 -2080 4574 5800 773 4959 1362 3226 -313 493 4621 1917 -2671 1511 -3874 2454 -1704 699 807 -3172 -591 1064 -1506 3296 -325 709 3521 528 -546 -1924 1284 -3 -627 -2339 -983 -2395 -475 -1623 -322 -887 -566 -835 334 1194 200 4 579 -652 -1291 433 -139 215 1977 1125 -172 -197 -112 808 -935 1190 -1365 820 -161 -742 15 -65 1485 188 227 -1099 -61 276 1858 -130 53 -437 119 -121 -373 1344 1132 656 -168 497 -252 236 -45 -120 -619 -527 -213 -256 -349 246 757 -558 1193 500 1065 -2663 2275 632 -961 -1800 -1821 -3447 -1558 3123 -394 -3253 -572 1429 2222 2698 792 135 -1701 -248 -1303 4285 1299 -1300 -1322 61 1337 -364 -3059 297 -1117 -1181 -1133 1700 464 -2799 526 -9 -1324 -550 3119 -1861 1403 199 1983 -241 923 -1106 2427 3170 453 2868 817 1890 -187 295 2790 1268 -1958 1112 -2944 1692 -1176 482 600 -2639 -509 924 -1318 2671 -254 509 2333 360 -399 -1570 1119 -3 -624 -2463 -1073 -2767 -561 -1961 -382 -1027 -621 -861 327 1168 209 5 707 -856 -1763 576 -178 259 2283 1340 -216 -258 -151 1128 -1378 1813 -2194 1311 -254 -1128 22 -90 2056 270 339 -1716 -95 426 2783 -192 76 -610 161 -166 -537 2015 1764 1052 -276 838 -442 425 -84 -223 -1157 -969 -381 -446 -601 SS 20220301T202924.6Z 8095.853757 368 1 50.64 2 66.74 236.36 80.18 237.33 0.00 1 0.00 1 0 25 9.906e-02 1.044e-02 1.450e-02 2.040e-03 3.934219e-01 1.048608e-03 4.685459e-03 -6.000000e+00 5.810185e-02 225.56 -2.00 3.51 -2.00 318.35 0.00e+00 2.466229e-04 2.033787e-04 1.708202e-04 -6.000000e+00 2.530176e-03 276.23 -2.00 20.00 -2.00 317.74 0.00e+00 2.513 0.000 302.00 328.00 3 4.1317e+00 2.8140e-03 3.2138e-02 -6.0000e+00 1.4379e-01 2.9935e-02 3.1993e-03 2.0090e-02 -6.0000e+00 1.5637e-01 -2.1151e-02 2.1492e-03 9.9935e-03 -6.0000e+00 9.3030e-02 6.1539e-03 1.1123e-03 2.8499e-03 -6.0000e+00 3.8907e-02 4.1863e-04 -8.7411e-04 6.2318e-05 3.4908e-05 -6.0000e+00 2.9557e-03 4.1093e-04 1.0338e-05 12 9 8 11 32 0 98.60 22.69 0.12 0.00041 -0.00616 22 4 1 5 0 2301.300 25.58 20.02 22.69 12.90 30.7 1072.09 -11243 -5268 73182 -40828 249 16137 -28651 41693 -7184 -4790 -28500 -5033 -25007 -11053 20210 141 -14460 799 13887 9378 10109 -2155 2356 -9518 1609 -5081 11668 -3789 -3788 -2910 -1616 7135 -2413 -6879 -2092 14220 -2757 -1523 3942 1789 -2293 618 -3189 -1815 -501 3095 -2482 1346 640 1539 706 -590 -262 3512 2986 1302 3643 1280 1578 574 1227 2524 818 -1424 1036 -123 713 -1428 1527 166 -897 -1286 485 -1701 1575 -534 500 2065 526 67 -1816 376 -1242 -858 -2191 -639 -1384 -788 -1111 -416 -493 -449 385 489 920 1057 593 361 -393 -497 -337 -266 -48 1276 180 -332 -367 -674 228 769 227 -801 284 -131 -223 350 805 1287 112 -413 -798 -542 150 639 110 269 331 1197 79 -52 772 423 348 179 324 -227 216 109 -438 -938 -325 -325 -100 78 -524 -262 1850 -2893 11 606 -1695 1426 -432 -301 -2312 -346 -2316 -1053 1684 16 -2026 104 1683 1233 1360 -328 350 -1657 270 -949 1910 -694 -670 -506 -292 1315 -532 -1664 -484 2796 -651 -400 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