File name: Pandora206s1_BuffaloNY_20230825_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T061212.5Z 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_20230825_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: 20230825 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 20230825T151737.2Z 8637.637236 131 1 28.00 2 41.46 132.24 138.48 83.63 0.00 1 0.00 1 0 17 3.151e-02 1.503e-02 1.967e-02 8.511e-03 1.939425e-01 4.275017e-03 2.339159e-03 -6.000000e+00 1.788261e-02 230.96 -2.00 3.55 -2.00 316.57 0.00e+00 -3.229529e-05 5.135998e-04 5.384734e-05 -6.000000e+00 7.943594e-04 287.15 -2.00 20.00 -2.00 315.77 0.00e+00 1.333 0.000 302.00 328.00 3 7.7991e+00 1.1246e-02 1.6643e-02 -6.0000e+00 4.4729e-02 5.4083e-02 1.2598e-02 1.0170e-02 -6.0000e+00 4.8457e-02 1.8543e-02 7.3078e-03 4.9441e-03 -6.0000e+00 2.8864e-02 -1.4407e-02 3.4416e-03 1.3626e-03 -6.0000e+00 1.2271e-02 4.6572e-05 -2.9414e-04 2.3425e-04 1.5134e-05 -6.0000e+00 8.0367e-04 -2.3641e-02 1.7355e-04 12 8 8 10 0 0 51.62 18.45 1.75 -0.02364 -0.02585 7 7 2 8 0 4000.000 15.00 18.45 29.72 21.88 21.88 19.2 1013.06 -5987 6225 974 -1721 -2353 16169 -13087 3839 2062 2412 -149 6712 -8299 -1532 -2820 3825 2060 3522 2492 -3222 6505 -5029 3191 -439 4395 -6354 3192 -750 516 -1478 6062 -2877 412 6929 -5531 2432 -2008 -11792 364 -66 -1363 1011 585 361 3204 -1234 -1934 -1573 -699 -2660 3564 -1771 1488 1526 2989 -516 741 -246 1046 -3133 -1257 2456 1338 1418 -420 593 -1982 -1771 -2887 1836 2059 1794 2436 999 757 219 -217 -1720 -3269 -2691 -1038 -170 2387 -1998 -473 -787 1766 872 14 874 749 -71 -836 -1641 -351 -1453 -358 1924 275 255 76 -470 -1964 -910 -659 -1398 -367 311 124 296 1261 -97 -491 -1102 -537 -665 -842 -2970 -499 573 -117 1633 652 683 2370 424 -561 -746 1894 196 347 -828 -68 565 303 916 633 1317 644 -154 -62 -3053 -880 -1055 1061 179 -307 -376 2013 -2296 632 387 481 -30 1227 -1938 -376 -787 1098 617 1062 784 -1108 2076 -1767 1044 -157 1566 -2615 1204 -275 169 -476 1955 -1031 154 2521 -2091 837 -789 -5663 185 -40 -882 661 395 246 2102 -844 -1298 -1047 -446 -1699 2236 -1250 1064 1109 2202 -397 575 -192 815 -2520 -1017 1980 1177 1327 -398 503 -1632 -1392 -2387 1596 1967 1796 2432 978 695 187 -166 -1289 -2544 -2254 -954 -165 2406 -2181 -546 -949 2185 1127 18 1096 893 -78 -861 -1608 -354 -1574 -422 2464 368 334 96 -555 -2275 -1042 -829 -1865 -489 430 179 448 1928 -151 -758 -1583 -720 -830 -1044 -3921 -692 819 -173 2351 960 959 3082 554 -698 -922 2426 261 484 -1193 -98 834 463 1462 1038 2199 1094 -256 -99 -4906 -1393 SS 20230825T162406.6Z 8637.683410 158 1 28.01 2 34.33 156.38 127.01 94.81 0.00 1 0.00 1 0 17 3.518e-02 2.010e-02 2.903e-02 1.309e-02 1.747784e-01 6.558488e-03 2.044217e-03 -6.000000e+00 1.996629e-02 230.95 -2.00 3.55 -2.00 316.48 0.00e+00 2.754677e-03 7.736633e-04 1.537562e-04 -6.000000e+00 8.866901e-04 287.15 -2.00 20.00 -2.00 315.69 0.00e+00 1.210 0.000 302.00 328.00 3 8.4470e+00 1.7274e-02 1.5071e-02 -6.0000e+00 4.9941e-02 5.5916e-02 1.9339e-02 9.7366e-03 -6.0000e+00 5.4098e-02 1.3457e-02 1.1161e-02 4.4568e-03 -6.0000e+00 3.2226e-02 -1.1503e-02 5.2183e-03 2.4138e-03 -6.0000e+00 1.3703e-02 2.8140e-05 -3.6428e-04 3.6145e-04 1.8890e-05 -6.0000e+00 8.9701e-04 -2.3184e-02 2.5504e-04 12 8 8 10 0 0 -10.23 18.45 3.86 -0.02318 -0.02592 7 7 2 8 0 4000.000 15.00 18.45 29.70 21.88 21.88 19.1 1011.79 2734 -14190 16268 508 5586 9580 -1648 -4481 -715 2903 7523 6508 -8919 1474 -5986 4921 2499 3823 1228 452 4085 -4721 192 2554 405 -8114 3459 -733 553 -2339 1974 4034 7520 3399 3988 -4901 -2814 822 1376 -4341 -2291 525 2646 -661 2651 -1088 -10888 -7118 -2079 -347 124 3061 -902 734 4152 2700 1493 2233 -176 -4209 3030 1438 2815 2909 1476 95 -531 -1692 -608 -376 1940 -168 3305 2498 1612 1327 -971 1035 -4644 -2543 -2602 707 -1503 -2299 -881 -222 1822 914 445 1712 1505 -6104 1246 -2669 829 -3260 1753 784 924 498 2085 -422 -1124 -936 256 -709 -969 106 -420 -344 299 780 -3613 -1342 -666 532 -712 -2823 -192 240 1236 716 2043 1001 3705 -1149 549 142 1429 -73 1199 312 -32 -394 -411 813 -218 2329 -494 740 -884 -1258 -1937 498 -3361 2922 101 907 1383 -275 -838 -142 588 1454 1246 -2124 359 -1773 1443 771 1188 404 155 1376 -1698 68 919 153 -3429 1312 -272 186 -781 660 1390 2681 1317 1409 -1790 -1093 351 694 -2721 -1533 353 1795 -469 1811 -773 -8340 -5050 -1354 -217 80 2048 -655 549 3076 2037 1157 1710 -135 -3345 2306 1191 2482 2727 1397 83 -422 -1294 -476 -334 1854 -171 3270 2411 1471 1128 -755 730 -3535 -2122 -2424 675 -1562 -2492 -1008 -272 2306 1168 576 2190 1774 -7042 1247 -2612 815 -3528 1990 996 1246 660 2550 -489 -1274 -1092 314 -924 -1319 149 -616 -531 465 1215 -5609 -1946 -870 660 -889 -3750 -258 347 1823 1051 2901 1423 4821 -1496 661 169 1791 -98 1664 446 -46 -587 -628 1295 -360 3839 -848 1222 -1436 -1989 -3114 SS 20230825T174256.1Z 8637.738149 190 1 15.98 2 32.82 191.69 113.61 106.44 0.00 1 0.00 1 0 17 9.889e-03 6.836e-03 6.084e-03 3.973e-03 1.578951e-01 2.019345e-03 1.928460e-03 -6.000000e+00 5.602771e-03 230.95 -2.00 3.55 -2.00 315.16 0.00e+00 3.292723e-04 1.794456e-04 1.816531e-05 -6.000000e+00 2.493324e-04 287.14 -2.00 20.00 -2.00 314.48 0.00e+00 1.189 0.000 302.00 328.00 3 6.3622e+00 5.2244e-03 1.4337e-02 -6.0000e+00 1.4013e-02 2.0281e-02 5.8046e-03 8.2873e-03 -6.0000e+00 1.5189e-02 5.0625e-03 3.3151e-03 4.0257e-03 -6.0000e+00 9.0461e-03 -3.1036e-03 1.4721e-03 1.1194e-03 -6.0000e+00 3.8411e-03 2.4693e-04 -1.6650e-03 1.0723e-04 1.3543e-05 -6.0000e+00 2.5236e-04 -2.1799e-02 -1.5678e-04 12 9 1 12 1 1 -31.80 18.45 0.57 -0.02180 -0.03431 3 8 1 8 0 3952.760 15.00 18.45 32.54 21.88 21.88 19.5 1031.73 -19 405 -340 -2237 -4800 439 -2287 2008 631 970 -1339 -1404 -1620 204 -1182 1596 433 223 1207 1686 1707 -816 1388 74 1236 -558 -69 -1207 -1419 669 1978 1431 1640 1356 -2018 -810 -1501 -1375 557 784 -1006 -706 166 -991 -289 -206 -1242 -1728 -769 -1180 600 -214 669 840 1121 387 843 860 481 324 1310 337 639 2073 1 -190 -267 -909 -22 452 519 383 -36 1478 -123 -294 -865 -975 -555 -1405 -1467 -740 -1424 -1459 -674 -823 -33 -125 807 877 992 -232 422 -344 184 387 197 755 127 75 118 -497 -480 -543 -516 -663 -617 -562 -126 21 459 502 239 -480 -152 47 -87 -304 40 224 -6 186 575 15 263 631 177 1020 733 295 226 -111 -415 -242 -480 146 91 510 281 -89 -139 -615 -791 -6 134 -115 -720 -1359 115 -647 601 205 331 -449 -462 -583 80 -504 720 201 105 578 827 820 -409 686 37 640 -304 -38 -617 -685 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