File name: Pandora177s1_WestportCT_20230626_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T022805.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20230626_L1_smca1c7d20230401p1-8.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: 20230626 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]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20230626T140802.8Z 8577.588922 213 1 48.87 2 39.26 103.69 123.71 57.67 0.00 1 0.00 1 0 25 2.097e-02 1.416e-02 9.370e-03 4.057e-03 1.798349e-01 2.161709e-03 2.201460e-03 -6.000000e+00 1.275010e-02 232.94 -2.00 3.51 -2.00 316.83 0.00e+00 9.933868e-04 2.723619e-04 3.776526e-04 -6.000000e+00 5.616387e-04 287.63 -2.00 20.00 -2.00 316.03 0.00e+00 1.290 0.000 302.00 328.00 3 5.6238e+00 5.7002e-03 1.6041e-02 -6.0000e+00 3.2015e-02 3.8177e-02 6.3459e-03 9.3411e-03 -6.0000e+00 3.4448e-02 -2.1678e-03 3.6761e-03 4.5066e-03 -6.0000e+00 2.0491e-02 -8.3892e-03 1.7212e-03 1.2510e-03 -6.0000e+00 8.7150e-03 4.3251e-04 8.2133e-04 1.2629e-04 1.5230e-05 -6.0000e+00 6.1784e-04 1.3967e-03 0.0000e+00 12 8 8 10 0 0 99.99 23.51 0.62 0.00140 0.00757 90 21 1 5 0 542.930 26.83 20.00 23.51 27.79 21.3 1042.39 2702 -956 190 -4000 -1545 -9113 3140 -2025 665 -6090 -2148 -1468 -2026 2053 -623 2146 -2469 3170 337 4881 966 267 3716 -55 3634 -744 -480 -2486 746 -1234 1971 2537 1018 -2166 -7187 -2628 -6119 -1039 -2026 5 84 99 952 -844 1277 -1042 91 -1097 -1255 -474 705 1534 -325 1621 -768 2120 -507 786 -609 1225 1372 1651 4502 1705 1012 -2340 -986 -1833 1664 1326 1343 1912 941 1531 -524 -1757 -3339 -3903 -2954 -2062 -1651 -2878 -2652 -2084 265 397 1427 1515 1942 1711 -22 -980 -2645 -564 -1350 -199 636 1511 816 -463 -1497 -2874 -567 -1920 -1644 -2169 -637 -753 1092 1902 1540 1374 536 -115 -1298 -1000 -654 163 1358 174 1309 404 1654 -343 1336 -1013 -552 323 -501 122 -742 -836 -901 263 -107 86 746 1142 554 267 -351 -2282 476 -183 35 -709 -242 -1494 487 -369 127 -1254 -421 -296 -453 497 -171 605 -749 932 105 1487 308 85 1165 -19 1243 -268 -167 -826 226 -376 607 830 352 -760 -2529 -889 -2381 -454 -1048 3 51 62 601 -543 802 -661 55 -651 -728 -275 423 967 -219 1101 -545 1486 -366 555 -465 926 1082 1293 3926 1454 900 -1968 -757 -1419 1355 1200 1298 1883 924 1428 -461 -1404 -2472 -2831 -2255 -1736 -1530 -2914 -2829 -2334 310 495 1845 1989 2498 2101 -25 -1026 -2605 -541 -1387 -222 771 1953 1093 -607 -1838 -3349 -642 -2324 -2126 -2973 -896 -1102 1647 2987 2485 2185 810 -161 -1696 -1251 -828 216 1907 261 1971 604 2356 -477 1736 -1277 -669 397 -657 168 -1059 -1211 -1338 405 -174 146 1286 1988 969 457 -585 -3769 SS 20230626T143047.6Z 8577.604717 223 1 48.57 2 35.15 109.02 120.19 62.63 0.00 1 0.00 1 0 25 1.747e-02 1.363e-02 3.635e-04 2.061e-04 1.698533e-01 1.102662e-04 2.036017e-03 -6.000000e+00 1.061672e-02 232.94 -2.00 3.51 -2.00 315.78 0.00e+00 8.975766e-04 1.113702e-05 2.153882e-04 -6.000000e+00 4.679168e-04 287.64 -2.00 20.00 -2.00 315.04 0.00e+00 1.222 0.000 302.00 328.00 3 1.2217e+00 2.8734e-04 1.5125e-02 -6.0000e+00 2.6658e-02 7.7790e-03 3.1821e-04 8.7340e-03 -6.0000e+00 2.8689e-02 -5.3133e-03 1.8237e-04 4.1922e-03 -6.0000e+00 1.7065e-02 -6.2797e-03 8.2144e-05 1.1617e-03 -6.0000e+00 7.2533e-03 3.9040e-02 7.6574e-04 6.3063e-06 1.4954e-05 -6.0000e+00 5.1485e-04 5.3526e-03 0.0000e+00 12 8 8 10 0 0 99.95 23.48 0.37 0.00535 0.01111 1283 295 1 5 0 37.730 26.83 20.01 23.48 30.83 21.5 1064.13 2825 1556 351 -3062 -3585 -3183 -545 766 -524 -3611 -4867 -3137 -1334 369 838 281 158 1577 1631 2358 1096 786 1577 1993 1992 1003 -242 -924 -609 -546 1277 1671 600 -3728 -6191 -5359 -4146 -1173 -255 -527 -450 24 339 327 916 332 -215 -740 -1120 -248 900 1067 1184 1017 581 1345 471 -150 -457 140 1239 2440 2996 2451 232 -1622 -2056 -1221 1637 1583 1357 1823 1528 1576 -42 -1628 -3268 -3729 -2378 -2401 -2416 -2588 -2858 -1595 -248 543 1604 1604 1955 1518 416 -1172 -2132 -1037 -814 -177 816 1620 849 -392 -1709 -2553 -1407 -821 -1626 -1781 -990 -742 916 1720 1814 1358 725 -162 -850 -808 -408 45 1034 767 971 847 1169 744 809 -808 -977 188 15 -102 -825 -1231 -604 -19 402 343 831 908 649 -50 -685 -1821 696 406 90 -746 -797 -683 -122 189 -140 -1006 -1356 -889 -409 125 310 110 63 641 680 1001 474 339 686 820 854 438 -113 -409 -253 -223 533 741 279 -1777 -2883 -2495 -2124 -627 -158 -366 -333 19 261 253 701 251 -159 -529 -783 -173 651 815 944 837 490 1143 372 -129 -389 120 1007 2099 2723 2288 212 -1381 -1776 -1047 1487 1460 1340 1836 1524 1502 -38 -1449 -2696 -3013 -2017 -2265 -2308 -2669 -3120 -1817 -299 639 1956 1987 2375 1763 486 -1256 -2136 -1023 -852 -202 1010 1974 1071 -484 -2145 -3032 -1647 -1010 -1996 -2308 -1326 -1030 1314 2565 2765 2042 1033 -214 -1130 -1033 -529 57 1383 1085 1393 1197 1591 972 1089 -1047 -1228 239 20 -133 -1119 -1700 -851 -28 619 550 1266 1401 1003 -76 -1093 -2862 SS 20230626T143557.3Z 8577.608302 226 1 47.62 2 34.24 110.34 119.37 63.71 0.00 1 0.00 1 0 25 1.731e-02 1.254e-02 8.860e-03 4.203e-03 1.669518e-01 2.243521e-03 2.017369e-03 -6.000000e+00 1.052570e-02 232.94 -2.00 3.51 -2.00 316.45 0.00e+00 1.191655e-03 2.620101e-04 2.775641e-04 -6.000000e+00 4.636257e-04 287.64 -2.00 20.00 -2.00 315.67 0.00e+00 1.209 0.000 302.00 328.00 3 5.0111e+00 5.8961e-03 1.4954e-02 -6.0000e+00 2.6430e-02 3.5556e-02 6.5422e-03 8.6367e-03 -6.0000e+00 2.8438e-02 -2.5973e-03 3.7804e-03 4.1652e-03 -6.0000e+00 1.6916e-02 -7.3013e-03 1.7462e-03 1.2245e-03 -6.0000e+00 7.1950e-03 8.8842e-04 8.1046e-04 1.3068e-04 1.4367e-05 -6.0000e+00 5.1001e-04 9.5539e-04 0.0000e+00 12 8 8 10 0 0 99.91 23.48 0.11 0.00096 0.00705 14 3 2 5 0 3401.180 26.83 19.96 23.48 31.18 21.3 1064.89 -708 755 1560 -836 -5094 -740 1283 35 -1759 -5814 -2811 -3561 1707 2992 -1151 -2476 -751 3086 3508 1033 1263 -32 1615 764 1274 1433 62 874 -1382 10 390 1508 1725 -3977 -3821 -4915 -4201 -1424 -1489 -669 -477 -474 887 742 106 -86 -295 -525 -241 -652 1924 -386 1237 939 399 1638 70 264 -996 939 998 3232 2830 1776 864 -1705 -1380 -1887 2127 447 1578 867 1143 1582 -301 -1564 -3332 -3420 -2496 -2422 -2639 -3063 -2733 -1256 -188 623 944 1258 1708 998 451 -1107 -2097 -1417 219 -1253 1219 1230 322 -210 -1081 -2869 -1259 -305 -1719 -1330 -342 -924 993 1467 1978 831 759 -582 -141 -142 -997 367 711 1163 600 238 918 293 704 -880 -1137 117 -161 -298 -273 -873 -871 -208 205 150 718 953 731 4 -764 -1490 -146 160 320 -161 -928 -125 226 7 -381 -1323 -612 -807 404 785 -346 -795 -243 984 1143 353 434 -11 556 276 478 541 23 322 -490 4 139 565 670 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