File name: Pandora177s1_WestportCT_20230628_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T124722.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20230628_L1_smca1c5d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20230628 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 359 Nominal wavelengths inside fitting window [nm]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 20230628T123732.2Z 8579.526067 167 1 1.92 2 56.31 87.23 151.41 5.17 0.00 1 0.00 1 0 25 1.971e-02 1.340e-02 7.108e-03 2.936e-03 2.627842e-01 1.573474e-03 3.095377e-03 -6.000000e+00 1.197269e-02 232.94 -2.00 3.51 -2.00 316.66 0.00e+00 1.130124e-03 1.937052e-04 3.381566e-04 -6.000000e+00 5.281816e-04 287.82 -2.00 20.00 -2.00 315.87 0.00e+00 1.797 0.000 302.00 328.00 3 2.6813e+00 4.1431e-03 2.2697e-02 -6.0000e+00 3.0061e-02 1.7726e-02 4.6095e-03 1.3554e-02 -6.0000e+00 3.2352e-02 -3.0894e-03 2.6877e-03 6.5411e-03 -6.0000e+00 1.9246e-02 -6.2349e-03 1.2703e-03 1.8348e-03 -6.0000e+00 8.1802e-03 4.2973e-03 6.9733e-04 8.9481e-05 2.1115e-05 -6.0000e+00 5.8078e-04 1.1032e-02 0.0000e+00 12 9 9 12 1 1 31.33 23.27 0.29 0.01103 0.01627 5 38 1 5 0 291.790 26.62 20.01 23.27 28.62 21.3 1047.30 2296 -301 -139 -2493 -4859 -1069 -3303 3034 -5879 -4144 -5418 -4890 -2226 627 2122 161 2948 1875 3679 1504 678 1072 -131 1615 2827 1958 -1471 -325 -3069 271 885 844 733 -2608 -5946 -5887 -3301 -3169 -13 -638 -491 -454 25 567 547 1202 -705 -103 -2020 105 852 685 957 1504 1130 2146 709 -834 -556 -286 1589 2664 3176 2604 15 -837 -2510 -1077 1931 1611 1491 1956 1199 1513 418 -2136 -2298 -3540 -2567 -2698 -2588 -2851 -3239 -1371 -250 787 1244 1763 2420 1192 539 -1651 -1822 -1053 -484 -236 866 1510 664 -312 -2040 -2272 -686 -426 -1419 -1466 -1419 -526 980 1457 1690 981 604 -409 -434 -727 107 230 1198 749 882 584 1112 782 641 -826 -968 520 -55 -95 -1185 -1204 -258 -204 443 510 538 617 577 200 -859 -1589 348 -47 -21 -385 -706 -147 -503 488 -1046 -740 -988 -944 -475 150 563 44 822 550 1100 474 218 344 -43 558 1015 718 -542 -112 -1044 90 313 325 282 -1027 -2325 -2336 -1431 -1548 -7 -383 -302 -290 16 368 356 771 -452 -64 -1273 67 567 488 685 1113 862 1655 559 -660 -434 -225 1231 2207 2695 2298 13 -717 -2057 -883 1689 1505 1431 1912 1161 1447 372 -1832 -1904 -2945 -2186 -2480 -2541 -2929 -3543 -1500 -288 926 1526 2182 2925 1388 604 -1785 -1925 -1115 -529 -274 1060 1919 876 -402 -2562 -2765 -815 -513 -1781 -1941 -1896 -730 1373 2153 2493 1443 874 -571 -583 -947 141 319 1698 1080 1281 833 1574 1064 861 -1107 -1265 691 -77 -136 -1712 -1778 -390 -314 712 828 895 1037 966 327 -1364 -2542 SS 20230628T133949.1Z 8579.569319 208 1 34.10 2 44.61 97.95 147.89 33.35 0.00 1 0.00 1 0 25 1.764e-02 1.279e-02 5.716e-03 2.234e-03 2.106589e-01 1.186393e-03 2.527999e-03 -6.000000e+00 1.071974e-02 232.94 -2.00 3.51 -2.00 316.92 0.00e+00 1.237009e-03 1.546521e-04 3.817861e-04 -6.000000e+00 4.727915e-04 287.82 -2.00 20.00 -2.00 316.10 0.00e+00 1.403 0.000 302.00 328.00 3 4.9885e+00 3.1358e-03 1.7939e-02 -6.0000e+00 2.6915e-02 2.0559e-02 3.4904e-03 1.0924e-02 -6.0000e+00 2.8964e-02 5.1040e-04 2.0483e-03 5.2821e-03 -6.0000e+00 1.7230e-02 -9.5627e-03 9.8000e-04 1.5007e-03 -6.0000e+00 7.3260e-03 6.8892e-04 8.8334e-04 6.9303e-05 1.7202e-05 -6.0000e+00 5.1981e-04 8.8148e-03 0.0000e+00 12 9 9 12 9 1 99.13 23.27 0.26 0.00881 0.01545 15 5 1 5 0 2120.700 26.62 20.00 23.27 28.10 21.3 1042.81 1145 -431 921 -3457 -3236 -3351 -13 1039 -2687 -1713 -6418 -4191 -1158 325 793 952 828 945 1052 1591 1037 1030 2018 1987 1605 746 -926 -790 -1044 -79 1341 684 949 -3263 -6002 -5815 -3464 -1508 -289 -1120 -773 -423 259 1053 788 191 -395 -1075 -1009 -231 1068 1387 1299 918 938 1343 402 -625 -891 395 1660 2574 3471 2386 -166 -1885 -2053 -1338 1949 788 1594 1980 1405 1845 -431 -2019 -2823 -4013 -1990 -2412 -2256 -2586 -2747 -1227 -77 648 1301 1760 1724 1160 488 -960 -2104 -764 -843 -531 291 1651 868 -401 -1932 -2519 -980 -783 -1524 -1637 -1134 -702 792 1753 1855 1181 638 -277 -466 -838 -711 232 752 994 864 803 1167 532 581 -688 -1164 159 -202 -118 -784 -1204 -625 213 467 116 603 782 786 150 -896 -1620 170 -69 142 -513 -437 -441 -2 158 -454 -291 -1138 -762 -228 72 194 247 223 262 301 465 307 304 602 622 527 250 -305 -245 -308 -23 406 224 325 -1147 -2073 -2027 -1317 -667 -148 -648 -477 -270 167 677 507 122 -248 -658 -606 -140 671 923 908 666 695 1010 306 -477 -674 298 1297 1990 2839 2026 -139 -1593 -1620 -1056 1627 685 1468 1860 1308 1630 -386 -1654 -2136 -3018 -1571 -2136 -2053 -2552 -2871 -1335 -89 789 1649 2254 2171 1399 545 -984 -2187 -784 -861 -595 356 2145 1169 -529 -2393 -2935 -1117 -940 -1975 -2238 -1609 -1034 1130 2608 2832 1788 918 -397 -619 -1077 -928 317 1094 1516 1337 1220 1706 748 778 -884 -1459 202 -274 -169 -1166 -1829 -972 344 740 192 1019 1337 1339 251 -1462 -2587 SS 20230628T134937.4Z 8579.576127 211 1 48.79 2 42.78 99.86 146.90 37.19 0.00 1 0.00 1 0 25 1.758e-02 1.281e-02 2.665e-03 1.119e-03 2.055789e-01 5.933936e-04 2.464786e-03 -6.000000e+00 1.068058e-02 232.94 -2.00 3.51 -2.00 316.81 0.00e+00 1.015923e-03 7.518419e-05 3.650855e-04 -6.000000e+00 4.711201e-04 287.82 -2.00 20.00 -2.00 316.02 0.00e+00 1.361 0.000 302.00 328.00 3 4.1693e+00 1.5640e-03 1.7419e-02 -6.0000e+00 2.6816e-02 1.7998e-02 1.7413e-03 1.0613e-02 -6.0000e+00 2.8859e-02 -1.3048e-03 1.0121e-03 5.1290e-03 -6.0000e+00 1.7168e-02 -8.6127e-03 4.8010e-04 1.4261e-03 -6.0000e+00 7.2984e-03 1.6485e-03 8.4357e-04 3.4564e-05 1.6657e-05 -6.0000e+00 5.1800e-04 9.7745e-03 0.0000e+00 12 8 8 10 0 0 99.70 23.27 0.30 0.00977 0.01611 55 13 1 5 0 887.020 26.62 20.01 23.27 28.05 21.3 1043.14 1834 1993 -191 -2901 -4382 -2810 -2042 93 -1552 -3466 -5316 -3848 -585 574 1515 80 528 1303 1316 2632 1059 975 1666 2189 1021 1116 -1354 -1052 -930 -364 972 1618 1394 -3582 -5966 -5961 -3622 -1466 -56 -557 -323 -86 422 621 452 543 -675 -978 -1263 -226 921 1069 1154 701 814 1142 344 -341 -382 -112 1253 2496 2952 2517 117 -1373 -1874 -965 1783 1536 1410 1627 1384 1440 -198 -1976 -3102 -3587 -2297 -2232 -2359 -2475 -2724 -1522 -117 519 1645 1513 1962 1453 387 -1267 -1928 -955 -744 -286 807 1479 704 -358 -1916 -2439 -1382 -712 -1602 -1654 -1092 -768 957 1592 1725 1129 700 -403 -500 -810 -441 -27 948 759 907 904 1194 913 637 -708 -972 211 -36 -228 -813 -1337 -592 110 519 248 755 942 672 -113 -765 -1674 298 340 -33 -467 -653 -402 -312 16 -284 -655 -1018 -760 -125 137 398 23 154 388 404 819 337 310 536 735 363 400 -480 -350 -293 -113 315 560 505 -1342 -2188 -2211 -1466 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