File name: Pandora21s1_Bremen_20220121_L2Fit_fout2c9d20211128p1-8.txt File generation date: 20250424T083017.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c9p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v9d20211128.txt Level 1 file used: Pandora21s1_Bremen_20220121_L1_smca1c9d20211128p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20220121 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: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20220121T092339.8Z 8056.391433 338 1 8.96 2 78.37 148.38 90.84 290.67 0.00 1 0.00 1 0 25 3.183e-01 8.103e-03 2.462e-01 5.487e-03 6.830908e-01 2.911316e-03 8.537312e-03 -6.000000e+00 1.856481e-01 221.80 -2.00 3.88 -2.00 320.68 0.00e+00 2.658555e-03 1.024575e-03 6.292529e-04 -6.000000e+00 7.723395e-03 265.75 -2.00 20.00 -2.00 320.40 0.00e+00 4.804 0.002 302.00 328.00 3 2.1312e+00 8.3792e-03 6.1014e-02 -6.0000e+00 4.5829e-01 1.4979e-01 1.1048e-02 3.9070e-02 -6.0000e+00 4.9985e-01 -9.7765e-02 1.2553e-02 2.1716e-02 -6.0000e+00 2.9531e-01 2.9699e-02 6.4632e-03 7.2153e-03 -6.0000e+00 1.2488e-01 2.5165e-04 -5.5899e-04 1.5941e-04 9.0652e-05 -6.0000e+00 9.5553e-03 6.8582e-03 0.0000e+00 12 9 1 12 1 1 80.39 22.10 0.27 0.00686 0.00266 13 16 1 5 0 627.172 25.17 20.00 22.10 9.80 27.3 1034.14 -112755 -58505 900000 -144373 -86072 -97842 29544 -116725 -25669 -143223 130417 -94857 20092 -27433 29828 -7089 -54015 41574 -38694 -6437 -18248 -28870 32431 -33289 23069 -38396 54269 -44654 6765 -31526 -8377 -4389 -7809 -4179 16096 11405 14381 5838 -9191 9502 98 8776 787 2597 -108 4366 5073 -5735 12265 -2005 10150 5022 -2109 -42 -347 1151 -2040 1994 -1453 7221 -1541 2479 2597 -1004 836 879 2092 -2264 1801 59 567 -434 -179 298 -23 2493 -137 625 -851 2268 51 753 -2169 -1361 -724 -1364 -598 95 581 -496 -12 466 652 1759 -617 613 791 618 -788 283 -611 1140 -857 -189 -1220 -978 -684 -109 -95 -290 -132 -298 19 -557 416 645 345 1004 -331 -68 -618 678 -551 199 -166 29 1527 1010 585 133 -82 -173 -30 266 48 -485 -30 326 -257 -307 -104 137 -105 -875 -329 900000 -1876 -622 -785 158 -1374 -145 -2591 698 -1396 124 -338 277 -110 -1406 512 -1054 -141 -465 -793 555 -1085 488 -1522 958 -1828 183 -1288 -320 -194 -398 -223 732 544 689 358 -766 786 10 910 94 313 -13 540 641 -806 1583 -309 1531 894 -446 -9 -81 277 -522 491 -362 1688 -387 649 768 -346 304 322 751 -841 700 26 280 -220 -94 148 -10 1008 -55 248 -362 1093 29 479 -1521 -1016 -571 -1150 -509 83 505 -423 -10 360 481 1304 -514 559 807 700 -995 364 -759 1307 -913 -193 -1315 -1115 -821 -134 -124 -421 -206 -488 32 -917 667 984 520 1546 -526 -113 -1030 1083 -880 305 -245 43 2129 1436 887 223 -148 -329 -60 547 102 -1100 -67 749 -595 -694 -227 288 -218 SS 20220121T092758.6Z 8056.394428 340 1 3.81 2 78.03 149.36 91.44 291.50 0.00 1 0.00 1 0 25 3.344e-01 1.557e-02 2.816e-01 1.219e-02 6.665208e-01 6.600878e-03 8.395254e-03 -6.000000e+00 1.993054e-01 221.80 -2.00 3.88 -2.00 320.49 0.00e+00 2.806709e-03 2.209916e-03 5.655494e-04 -6.000000e+00 8.670786e-03 265.75 -2.00 20.00 -2.00 320.20 0.00e+00 4.680 0.002 302.00 328.00 3 2.7983e+00 1.8809e-02 5.9413e-02 -6.0000e+00 4.9464e-01 1.6921e-01 2.4068e-02 3.7908e-02 -6.0000e+00 5.4152e-01 -1.2431e-01 2.6071e-02 2.0799e-02 -6.0000e+00 3.1420e-01 4.2721e-02 1.3561e-02 6.8185e-03 -6.0000e+00 1.3321e-01 1.4641e-04 -1.0376e-03 3.6209e-04 8.4211e-05 -6.0000e+00 1.0571e-02 6.1096e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.10 0.26 0.00611 -0.00169 2 8 1 5 0 1212.457 25.17 20.00 22.10 9.95 27.4 1035.16 900000 900000 -77418 -66941 -36258 -198410 900000 900000 900000 -147635 -38583 900000 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-249 1392 324 1963 962 2187 -975 2300 2203 519 850 494 2528 -1427 1794 -1188 1985 -1483 527 -203 -498 -1615 -945 -259 -4444 -170 -2483 -1199 -1190 -12 593 -1738 654 600 1023 -318 60 47 -675 -1667 30 -1267 698 1932 -131 559 -674 431 -775 -140 -356 -721 -615 1329 -98 -1187 1479 892 681 284 549 -797 336 1239 -775 127 -857 1389 3360 1426 -947 201 -2133 194 1014 1107 -206 -559 2209 157 -1871 -2379 -454 474 SS 20220121T094534.6Z 8056.406650 349 1 22.19 2 76.76 153.39 93.84 294.91 0.00 1 0.00 1 0 25 4.230e-01 1.430e-02 2.725e-01 9.794e-03 6.098019e-01 5.311158e-03 7.754446e-03 -6.000000e+00 2.511997e-01 221.80 -2.00 3.88 -2.00 320.57 0.00e+00 2.441075e-03 1.774094e-03 5.082126e-04 -6.000000e+00 1.119196e-02 265.75 -2.00 20.00 -2.00 320.28 0.00e+00 4.261 0.002 302.00 328.00 3 4.1101e+00 1.5149e-02 5.4272e-02 -6.0000e+00 6.1996e-01 2.0808e-01 1.9170e-02 3.4723e-02 -6.0000e+00 6.7833e-01 -1.3043e-01 2.0580e-02 1.8931e-02 -6.0000e+00 3.9521e-01 4.8861e-02 1.0729e-02 6.1822e-03 -6.0000e+00 1.6835e-01 6.0109e-05 -1.0233e-03 3.0213e-04 8.1018e-05 -6.0000e+00 1.3027e-02 7.9964e-03 0.0000e+00 12 9 9 12 1 1 99.80 22.10 0.40 0.00800 0.00031 6 3 1 5 0 3144.921 25.17 20.00 22.10 10.14 27.2 1035.02 900000 -200618 900000 -63476 900000 900000 900000 -63464 166805 900000 -100769 6500 -21391 900000 65654 236083 -549 -21937 201931 -15007 90545 -22006 115580 -21797 89804 6919 59668 -14899 -15248 -21240 -16381 62095 -9173 11968 18368 30294 14745 5325 13608 -7503 6036 851 -3057 -12422 14331 4573 15589 -8149 -7532 5690 -2839 -679 3249 1026 -800 10823 -400 6841 -1130 672 5689 366 5886 -1074 9842 -2226 -586 -1514 2753 585 751 2709 -3791 942 -2066 417 -2498 966 262 1613 605 -423 622 -2425 -2065 -2208 -6 -1380 1120 1820 1192 761 -1523 2267 -3072 1291 1083 1520 -1089 -190 507 -1369 1706 499 -425 -2466 -832 -1614 115 -403 -593 -454 -1046 1221 172 1148 -80 934 -1009 -169 -873 497 592 -894 1263 369 2030 1495 689 455 903 -47 -736 538 -775 594 489 -24 -407 -457 -805 -390 421 900000 -7672 900000 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265.75 -2.00 20.00 -2.00 320.21 0.00e+00 3.825 0.001 302.00 328.00 3 4.5219e+00 1.3180e-02 4.8860e-02 -6.0000e+00 5.2068e-01 1.1192e-01 1.6492e-02 3.1363e-02 -6.0000e+00 5.6836e-01 -2.0108e-02 1.7281e-02 1.7050e-02 -6.0000e+00 3.3433e-01 -5.7471e-03 9.0360e-03 5.5563e-03 -6.0000e+00 1.4173e-01 6.6387e-05 -5.2626e-04 2.7446e-04 7.2376e-05 -6.0000e+00 1.0885e-02 6.4491e-03 0.0000e+00 12 8 8 10 0 0 99.74 22.11 0.34 0.00645 0.00249 28 5 1 5 0 1776.258 25.17 20.00 22.11 10.42 27.3 1036.73 43037 900000 -56220 -159998 -95393 123519 121413 -134521 900000 -48903 900000 -125134 900000 182557 66967 42233 34212 9750 25850 47333 11959 -21487 34874 28225 29775 7306 -16375 7436 54278 8859 106108 26179 12278 -10253 8097 15283 17007 22976 -9185 4695 -4306 10956 -2681 -2299 2283 4843 5685 -7011 -422 3974 4405 -4185 2791 6050 2192 5554 -3956 323 -1865 4292 -5109 5258 778 1098 3379 1068 -1502 -1289 2724 -1377 1126 -1651 4430 -2208 -560 2282 -2978 1539 -1934 1790 -2848 554 -2257 -623 -865 -1588 -903 -676 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