File name: Pandora55s1_QueensNY_20211130_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T104928.6Z 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_20211130_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: 20211130 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 20211130T141757.2Z 8004.595801 252 1 8.39 2 71.10 144.24 46.34 198.62 0.00 1 0.00 1 0 25 1.650e-01 1.478e-02 9.570e-02 7.495e-03 4.561771e-01 3.849921e-03 5.433712e-03 -6.000000e+00 9.586837e-02 223.05 -2.00 3.51 -2.00 318.99 0.00e+00 2.955112e-03 9.299602e-04 2.679460e-04 -6.000000e+00 4.314917e-03 278.89 -2.00 20.00 -2.00 318.36 0.00e+00 3.051 0.000 302.00 328.00 3 3.8612e+00 1.0512e-02 3.8236e-02 -6.0000e+00 2.3571e-01 8.0880e-02 1.2179e-02 2.3597e-02 -6.0000e+00 2.5667e-01 -5.8779e-02 8.9529e-03 1.1748e-02 -6.0000e+00 1.5333e-01 2.1873e-02 4.6990e-03 4.3233e-03 -6.0000e+00 6.4853e-02 2.9526e-04 -1.5217e-03 2.2546e-04 4.7392e-05 -6.0000e+00 4.9274e-03 -5.0384e-04 -7.4578e-05 12 9 9 12 33 1 999.00 22.68 0.35 -0.00050 -0.01194 2 3 1 5 0 2738.790 25.58 19.99 22.68 10.27 29.6 967.20 -12210 -5422 900000 -71331 26425 17318 -46960 116957 3057 -40507 -47013 -49219 -57358 9921 3050 8225 -23635 -8509 3011 26658 25264 -2403 5867 -14823 -2030 -10728 27332 2075 136 -17893 -11084 7884 3358 -3257 -11716 27865 -5851 -4009 6362 3312 -2553 1581 -4646 -1584 4398 2657 -4502 489 2575 9393 4055 691 44 8554 3228 128 4822 3732 2416 2364 2320 5208 806 -3478 2807 -2092 -672 2558 1814 -26 -1401 -582 1591 -1200 1508 -1414 -1717 202 -592 -2504 -869 -657 -1562 518 -2432 -1057 -2332 -748 -2062 -432 -1291 1244 -124 1311 1224 750 -995 690 -312 -1390 -102 -803 533 1769 1312 -1099 -572 -774 -378 1314 489 -1123 -5 -99 208 568 1201 678 199 420 -277 -625 -286 318 -387 575 770 2056 982 982 469 -46 741 -144 444 -730 -211 -240 557 -1061 -802 -683 522 -241 -329 -157 900000 -4008 558 381 -1941 1140 97 -2046 -2628 -3001 -4333 482 189 561 -2394 -807 272 2034 2007 -249 572 -1828 -237 -1419 2583 244 16 -2480 -1551 1047 521 -571 -2227 3622 -1068 -811 1378 854 -773 496 -1606 -549 1461 908 -1644 172 900 3182 1508 283 20 3729 1540 64 2403 1883 1223 1181 1169 2675 462 -2223 1792 -1390 -428 1556 1139 -18 -1057 -460 1259 -955 1130 -1016 -1149 127 -381 -1758 -669 -554 -1426 489 -2445 -1099 -2548 -836 -2356 -483 -1413 1277 -122 1239 1173 769 -1120 832 -405 -1882 -136 -1027 639 2037 1542 -1366 -735 -1030 -520 1876 740 -1790 -8 -158 319 839 1718 976 295 643 -438 -994 -447 485 -580 835 1085 2822 1379 1450 736 -76 1244 -249 787 -1346 -400 -461 1076 -2068 -1537 -1273 939 -430 SS 20211130T142249.9Z 8004.599189 255 1 6.21 2 70.57 145.29 46.67 200.21 0.00 1 0.00 1 0 17 1.439e-01 1.057e-02 7.938e-02 5.761e-03 4.528519e-01 2.948795e-03 5.405127e-03 -6.000000e+00 8.358475e-02 223.05 -2.00 3.51 -2.00 318.83 0.00e+00 5.316518e-04 6.793020e-04 3.348238e-04 -6.000000e+00 3.714360e-03 278.89 -2.00 20.00 -2.00 318.19 0.00e+00 2.972 0.000 302.00 328.00 3 3.3090e+00 8.0207e-03 3.7461e-02 -6.0000e+00 2.0550e-01 4.0724e-02 9.2529e-03 2.3083e-02 -6.0000e+00 2.2380e-01 -1.5253e-02 6.7518e-03 1.1527e-02 -6.0000e+00 1.3361e-01 -6.9587e-04 3.5578e-03 3.3160e-03 -6.0000e+00 5.6296e-02 5.6513e-04 -1.7561e-03 1.7286e-04 4.1004e-05 -6.0000e+00 4.2922e-03 -3.3640e-03 -2.3467e-04 12 9 9 12 1 1 92.15 22.68 0.21 -0.00336 -0.01656 3 6 1 5 0 1506.500 25.58 20.00 22.68 10.51 29.6 968.23 -13346 -1207 133162 -64246 -27355 15859 -18727 18921 -7225 15160 -30769 -2127 -25012 -23548 1634 9113 -16355 4521 20738 6819 7828 2757 13025 -14793 -1534 -5330 16932 494 -5435 -9217 569 1876 -1537 -5354 -6184 13680 2191 1032 2989 3548 -3953 -2589 -2406 -2371 2441 404 -1946 -2121 3061 470 1317 -12 -869 3560 2631 1292 2319 1162 1039 -168 1726 2925 1439 128 817 -1297 804 755 2547 -1014 -501 -834 730 -1430 1093 -2578 1401 2390 -1549 -738 631 198 -1348 -462 -1989 -552 -938 -877 -1500 347 -376 -1006 1698 1710 1780 582 654 33 58 -1195 -276 -1053 787 1381 599 -895 -681 -382 -506 536 -500 -871 -570 531 -163 67 1476 600 1067 -342 -1228 -356 670 153 -485 507 298 1192 1752 -71 212 -291 607 515 433 -544 -371 127 -132 -417 -346 -101 -253 -122 -366 -34 1130 -3366 -960 359 -612 487 -265 488 -1588 -90 -1496 -1655 108 645 -1607 395 1656 650 761 286 1257 -1944 -192 -728 1928 64 -722 -1269 77 281 -264 -1012 -1183 2155 397 214 716 983 -1300 -904 -874 -881 880 149 -735 -805 1126 181 528 -5 -406 1700 1324 679 1243 633 563 -91 924 1611 859 83 551 -887 526 485 1658 -729 -388 -681 600 -1179 851 -1937 956 1552 -1048 -531 495 170 -1256 -449 -2031 -583 -1032 -994 -1730 393 -416 -1069 1681 1646 1739 608 736 41 75 -1617 -368 -1354 950 1612 714 -1118 -881 -509 -700 769 -760 -1379 -916 839 -251 98 2105 861 1568 -525 -1939 -562 1037 233 -726 735 422 1645 2450 -106 332 -474 1012 878 760 -991 -696 241 -253 -803 -654 -185 -454 -217 SS 20211130T142748.2Z 8004.602641 258 1 28.63 2 70.04 146.38 47.02 201.80 0.00 1 0.00 1 0 25 1.040e-01 9.544e-03 2.553e-02 2.458e-03 4.384899e-01 1.256559e-03 5.220554e-03 -6.000000e+00 6.048992e-02 223.05 -2.00 3.51 -2.00 318.80 0.00e+00 4.893789e-04 2.869845e-04 2.247530e-04 -6.000000e+00 2.687288e-03 278.89 -2.00 20.00 -2.00 318.16 0.00e+00 2.898 0.000 302.00 328.00 3 3.4529e+00 3.4136e-03 3.6400e-02 -6.0000e+00 1.4872e-01 3.7008e-02 3.9343e-03 2.2278e-02 -6.0000e+00 1.6191e-01 -1.7967e-02 2.8399e-03 1.1142e-02 -6.0000e+00 9.6667e-02 1.2352e-03 1.4936e-03 3.2368e-03 -6.0000e+00 4.0760e-02 5.3694e-04 -8.5054e-04 7.4334e-05 3.9896e-05 -6.0000e+00 3.1029e-03 -1.7629e-03 5.7123e-05 12 9 9 12 1 1 99.91 22.68 0.23 -0.00176 -0.00815 21 7 1 5 0 1292.910 25.58 19.99 22.68 10.68 29.6 969.17 -28847 30528 74185 -47045 -18841 -10005 -14055 19925 5481 -20624 -25220 -17126 -21732 -22440 19366 -3158 -16191 -4291 16689 12035 3168 1751 702 -1197 -429 524 16914 -4997 -1919 -12301 -163 2557 3890 -8469 -647 7714 -1593 -4093 4240 -1501 -2341 -780 -4396 -1122 -1371 2698 -2839 4003 331 3822 445 -546 -546 2004 3021 -422 3036 854 2518 19 2783 2611 1961 -514 -132 -860 2430 371 1288 1139 -1423 -62 -149 -1078 309 329 771 1979 821 -486 -298 -667 -787 -1519 -1873 -1436 -1256 -686 -954 -539 -675 -222 258 1752 1159 1198 390 697 -372 -885 -398 -622 371 1164 125 -694 -318 -995 98 338 229 -481 -193 203 -125 566 814 1245 75 -46 -1144 -521 82 706 -252 62 312 1154 919 -223 734 -3 547 550 228 -366 261 -13 -394 -696 -530 -282 -181 267 -997 694 1193 -2290 -667 -312 -475 547 193 -995 -1328 -891 -1339 -1646 1144 -262 -1662 -424 1441 1138 335 190 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