File name: Pandora206s1_BuffaloNY_20240413_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T075322.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20240413_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20240413 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: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20240413T141341.8Z 8869.592845 139 1 24.00 2 51.90 116.65 85.46 55.56 0.00 1 0.00 1 0 17 2.543e-01 2.488e-02 2.148e-01 2.053e-02 3.164480e-01 1.015591e-02 3.892466e-03 -6.000000e+00 1.423610e-01 228.16 -2.00 3.55 -2.00 318.53 0.00e+00 2.194350e-03 2.030281e-03 7.532784e-04 -6.000000e+00 6.162044e-03 277.78 -2.00 20.00 -2.00 317.89 0.00e+00 1.617 0.000 302.00 328.00 3 8.3079e+00 2.7583e-02 2.3498e-02 -6.0000e+00 3.5479e-01 5.8840e-02 3.1380e-02 1.7759e-02 -6.0000e+00 3.8615e-01 2.6767e-02 2.1581e-02 8.1959e-03 -6.0000e+00 2.2925e-01 -1.8792e-02 1.1435e-02 3.1584e-03 -6.0000e+00 9.6907e-02 1.6564e-05 -1.0806e-03 5.7446e-04 2.7823e-05 -6.0000e+00 6.4842e-03 -5.7931e-03 1.1184e-04 12 8 8 10 0 0 80.62 17.67 1.51 -0.00579 -0.01391 6 6 2 8 0 4000.000 14.99 17.67 11.46 21.27 21.06 20.8 984.13 -14706 141603 94106 140600 -677 85487 3774 61753 -5278 97441 39792 78740 12185 51765 7154 16428 32538 -10815 3633 -8979 44937 -9733 22449 -10440 12168 -6651 27900 5652 -10453 11792 1880 -6854 -17889 -3795 -8535 12989 -5764 11369 3903 158 9055 -4258 735 -3760 2357 -836 -8285 -15714 9602 105 -230 -5578 -3002 -2575 12895 -731 -516 -2465 -820 -5411 -5202 3413 -3945 16555 3002 4310 -4866 958 -177 -2962 1433 -998 3087 1211 2401 -2913 3359 -41 -548 -2400 -358 1040 -3745 -1201 -327 753 6360 654 293 2348 -850 2485 -3157 -1829 -2832 -1108 691 1002 1042 2048 59 979 234 -1772 487 -2945 -255 916 -1014 -690 1554 1028 -1782 -1572 -1153 583 -2430 -2961 -269 2126 379 -1885 677 215 699 417 -1569 1177 2186 -526 1277 1017 -889 293 239 -436 945 444 1079 233 1441 -3293 -531 -865 2836 2324 2815 -35 1826 188 1979 -358 2602 1859 2575 874 2943 721 1707 3132 -1638 500 -1461 4499 -1602 2828 -1881 1886 -1257 3893 927 -1877 1706 329 -1430 -4466 -890 -1930 2299 -1359 2615 1167 56 3224 -1807 308 -1671 984 -363 -3826 -7680 3721 45 -106 -2838 -1574 -1428 6530 -417 -300 -1450 -477 -3268 -3239 2110 -2787 10630 2141 2873 -3332 605 -120 -2304 1169 -867 2557 1009 1827 -2083 2044 -25 -351 -1792 -295 940 -3670 -1193 -346 844 7068 793 358 2685 -950 2454 -3026 -1682 -2821 -1209 827 1296 1430 2708 75 1153 258 -2065 607 -3980 -351 1268 -1506 -1095 2565 1729 -2964 -2429 -1677 781 -3363 -4306 -408 3246 595 -2961 1043 317 969 554 -2011 1537 2965 -787 1983 1632 -1480 501 423 -814 1772 855 2073 434 2632 -6052 -925 SS 20240413T151437.4Z 8869.635155 174 1 24.01 2 42.73 132.94 76.14 64.60 0.00 1 0.00 1 0 17 1.969e-02 8.007e-03 1.520e-02 5.168e-03 2.541528e-01 2.558646e-03 3.098655e-03 -6.000000e+00 1.102812e-02 228.17 -2.00 3.55 -2.00 317.09 0.00e+00 1.143297e-03 3.440722e-04 8.892993e-05 -6.000000e+00 4.772687e-04 277.79 -2.00 20.00 -2.00 316.45 0.00e+00 1.360 0.000 302.00 328.00 3 6.8324e+00 6.7418e-03 1.8957e-02 -6.0000e+00 2.7485e-02 2.5483e-02 7.5805e-03 1.3292e-02 -6.0000e+00 2.9911e-02 5.7925e-03 4.5263e-03 6.5239e-03 -6.0000e+00 1.7757e-02 -6.7011e-03 2.2191e-03 2.0366e-03 -6.0000e+00 7.5087e-03 1.0679e-04 -5.4297e-05 1.4173e-04 2.0697e-05 -6.0000e+00 5.0212e-04 -8.0316e-03 1.0117e-04 12 9 1 12 1 1 99.98 17.67 0.73 -0.00803 -0.00844 5 6 2 8 0 4000.000 15.00 17.67 12.44 21.27 21.06 20.9 990.40 -8104 6248 -3902 5401 -6516 7829 -2695 3125 -1710 1990 -3035 3009 -1241 -132 3008 -1791 5655 -3322 2602 -3303 3072 -165 3715 -47 -303 2112 -611 -884 -2279 3431 144 1891 -815 -64 -599 -1986 -3862 -1969 -306 -1504 936 -767 -561 -2498 966 -2254 244 -2365 2 -1762 1386 -262 1374 947 1135 1290 -390 603 295 836 807 803 591 2855 -180 284 -1168 66 860 265 1750 328 1145 290 1158 -552 3 -1466 -1480 -1606 -263 -1293 -2031 -1222 -824 -410 503 -305 7 947 -200 562 -368 -193 -247 246 963 1111 251 421 -308 -882 -735 -286 -11 -1394 -275 -415 -95 -145 668 397 -197 200 -248 65 -1168 145 -668 374 -84 -55 611 471 -702 454 780 1355 385 582 976 -236 -68 55 420 -510 65 -270 135 -100 -248 -506 -312 -1055 772 -549 645 -760 786 -308 375 -240 284 -443 421 -206 -25 630 -436 1321 -881 677 -912 838 -46 1008 -14 -94 667 -199 -269 -647 913 43 587 -284 -23 -196 -642 -1407 -786 -144 -817 539 -450 -340 -1554 596 -1394 148 -1439 1 -1042 844 -168 911 666 819 941 -295 448 215 601 599 623 500 2525 -162 231 -927 50 692 238 1638 323 1115 274 1032 -461 2 -1092 -1162 -1387 -243 -1295 -2175 -1311 -947 -490 624 -382 9 1156 -233 610 -379 -192 -254 271 1169 1416 340 553 -391 -1066 -832 -338 -14 -1853 -367 -582 -136 -220 1034 619 -296 292 -341 84 -1527 196 -953 549 -126 -80 896 658 -965 605 980 1710 513 824 1408 -353 -102 85 683 -852 110 -459 229 -169 -405 -820 -493 SS 20240413T152441.6Z 8869.642148 179 1 24.01 2 41.41 136.08 74.53 66.05 0.00 1 0.00 1 0 17 9.748e-02 2.061e-02 7.411e-02 1.555e-02 2.733153e-01 7.699381e-03 3.257324e-03 -6.000000e+00 5.461231e-02 228.17 -2.00 3.55 -2.00 317.86 0.00e+00 6.676802e-04 1.257352e-03 1.139612e-04 -6.000000e+00 2.362745e-03 277.79 -2.00 20.00 -2.00 317.21 0.00e+00 1.332 0.000 302.00 328.00 3 8.3219e+00 2.0563e-02 1.9448e-02 -6.0000e+00 1.3611e-01 5.1427e-02 2.3247e-02 1.4087e-02 -6.0000e+00 1.4810e-01 1.3970e-02 1.4652e-02 6.9887e-03 -6.0000e+00 8.7926e-02 -9.3844e-03 7.4944e-03 2.0304e-03 -6.0000e+00 3.7189e-02 2.3398e-05 -7.6796e-04 4.3345e-04 2.0465e-05 -6.0000e+00 2.4849e-03 -7.9237e-03 2.0342e-04 12 8 8 10 0 0 76.48 17.68 1.12 -0.00792 -0.01369 6 6 2 8 0 4000.000 15.02 17.68 12.79 21.27 21.06 20.9 993.04 -13795 30979 28187 57452 9453 56342 199 27202 5158 23586 11365 17599 -12030 20889 1239 -6328 2508 -5428 3196 -8873 19623 -6699 12142 -6744 8319 -12523 4101 4231 -9551 -2546 -8858 2503 -4581 -809 -4016 8517 -5077 1060 1904 -2453 3301 -688 2816 -1420 4940 -5770 -7479 -10330 1362 -1859 4725 -1401 -193 1963 6781 3003 -945 -1819 371 769 -2220 4976 -3771 6975 -1796 4254 -3909 2278 -413 -1100 5188 -572 1284 1499 1799 -14 1274 -5323 -2705 -1223 1133 852 -2328 -538 -216 398 2117 72 -1439 4770 -846 -98 -5467 -1240 -933 -1566 1056 560 1617 2070 -1400 -261 417 -1337 1267 -3450 -1389 1439 -1320 -1024 2689 425 -1419 -536 -1929 154 -1446 -653 -1791 577 1903 759 569 778 2046 544 -702 1836 -1132 184 968 -835 871 -52 362 -455 1189 -1276 -83 439 589 -1593 -98 -1288 2107 2041 3021 675 2478 16 1898 487 1973 1051 1550 -1619 2330 193 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