File name: Pandora55s1_QueensNY_20220107_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T111047.2Z 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_20220107_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: 20220107 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 20220107T142501.3Z 8042.600710 106 1 49.89 2 72.80 142.31 107.12 86.17 0.00 1 0.00 1 0 25 2.603e-01 1.411e-02 8.781e-02 2.767e-03 5.282217e-01 1.440973e-03 6.065841e-03 -6.000000e+00 1.529033e-01 223.52 -2.00 3.51 -2.00 319.73 0.00e+00 4.192544e-03 4.364501e-04 6.031568e-04 -6.000000e+00 6.719764e-03 275.83 -2.00 20.00 -2.00 319.19 0.00e+00 3.333 0.001 302.00 328.00 3 3.6381e+00 4.0728e-03 4.2902e-02 -6.0000e+00 3.7716e-01 6.2874e-02 4.8572e-03 2.8139e-02 -6.0000e+00 4.1068e-01 -6.1723e-02 4.1266e-03 1.4001e-02 -6.0000e+00 2.4382e-01 2.1680e-02 2.1497e-03 6.6979e-03 -6.0000e+00 1.0251e-01 2.6060e-04 7.2973e-04 8.2632e-05 6.3207e-05 -6.0000e+00 7.8771e-03 -2.3919e-03 4.6176e-04 12 8 8 10 0 0 99.99 22.70 0.37 -0.00239 0.00309 31 6 1 5 0 1608.160 25.58 19.99 22.70 4.71 29.3 1056.26 -97469 121041 900000 -119893 74855 29510 -8909 900000 13081 -27417 -82648 -2824 -59325 9391 120185 -4489 -28479 -68506 56756 51960 38990 5756 10420 -26356 -6233 -12177 68812 -4220 -9791 -11818 4488 18169 1378 -8977 6675 -12190 -3563 -5692 9319 4045 -4503 2046 -7271 -3585 -1271 11757 -3424 7989 6962 10834 3640 391 596 8895 6060 3509 4529 216 3059 919 2439 5197 1561 -2726 2529 -1819 2695 285 2340 247 -2467 -494 376 -1702 1649 -187 1791 4071 829 247 -1468 731 -757 -893 -3133 -1857 -2231 -744 -1884 -212 -673 -721 518 970 903 1293 -584 170 37 -1115 -530 -460 820 1608 541 -890 -568 -888 274 759 -189 -1434 57 -110 -260 737 833 1745 83 -407 -1081 -373 341 1015 4 81 473 1116 924 351 509 281 1046 429 290 -483 55 387 -487 -800 -506 -348 -209 -169 -2539 466 900000 -4885 463 269 -120 900000 175 -578 -3057 -54 -2252 232 1289 -182 -1625 -6194 1724 1744 1525 311 548 -2048 -427 -927 2526 -303 -730 -919 330 1356 137 -1064 693 -1481 -414 -759 1283 686 -929 432 -1761 -867 -307 2579 -871 1863 1681 2626 996 120 197 2936 2168 1329 1753 87 1197 361 952 2081 703 -1392 1315 -994 1381 147 1227 144 -1609 -336 260 -1175 1054 -113 990 2111 452 148 -1005 546 -623 -780 -2910 -1791 -2254 -768 -1995 -219 -678 -694 468 849 811 1249 -627 200 47 -1485 -697 -576 956 1792 617 -1068 -709 -1151 368 1075 -287 -2305 92 -178 -408 1108 1217 2545 125 -642 -1755 -604 540 1565 5 119 676 1560 1322 534 828 481 1847 780 546 -946 111 792 -1008 -1656 -1027 -685 -398 -317 SS 20220107T143553.5Z 8042.608258 109 1 48.35 2 71.57 144.61 105.11 87.88 0.00 1 0.00 1 0 25 6.146e-02 6.812e-03 1.150e-02 8.078e-04 5.064856e-01 4.149845e-04 5.988220e-03 -6.000000e+00 3.578270e-02 223.52 -2.00 3.51 -2.00 319.20 0.00e+00 7.519117e-04 1.061003e-04 4.989496e-04 -6.000000e+00 1.567575e-03 275.83 -2.00 20.00 -2.00 318.63 0.00e+00 3.124 0.001 302.00 328.00 3 1.5703e+00 1.1425e-03 4.0415e-02 -6.0000e+00 8.8160e-02 3.2749e-02 1.3306e-03 2.5962e-02 -6.0000e+00 9.6010e-02 -1.7381e-02 1.0496e-03 1.2967e-02 -6.0000e+00 5.7195e-02 -1.5504e-03 5.5517e-04 3.8030e-03 -6.0000e+00 2.4016e-02 2.6170e-03 -1.1232e-03 2.3913e-05 4.6608e-05 -6.0000e+00 1.8329e-03 6.9327e-04 7.3112e-05 11 9 0 11 8 0 99.94 22.69 0.18 0.00069 -0.00775 238 45 1 5 0 203.090 25.58 20.02 22.69 4.83 29.4 1057.78 -19668 -15199 13058 -38711 -4401 -24236 -15212 -2584 -17692 -8057 -29129 -4283 -18049 -14180 -863 -842 -6731 -940 1637 746 490 -1685 1652 -4250 516 -4574 3801 -5977 -891 -4265 -167 2695 -7 -1990 -1847 3083 -2624 -597 179 26 -2095 -712 -2089 -1104 -343 152 -946 -63 553 1102 1478 341 992 1227 1411 898 873 318 128 1004 1447 2069 1141 865 -424 -72 744 827 1865 884 115 -641 -522 -1069 -309 -261 736 902 1577 357 -158 -383 -1494 -1308 -1465 -1023 -993 -513 -738 -479 -63 524 872 1689 1606 1327 950 629 -345 -765 -421 -551 408 968 -126 -981 -626 -740 -205 54 -304 -575 -298 -48 137 803 1077 998 422 -395 -837 -532 -181 -308 99 9 593 1502 1033 226 266 -85 408 319 135 -366 -223 149 -483 -515 -122 -157 31 191 -364 -314 219 -1047 -82 -531 -319 -54 -472 -213 -1008 -126 -710 -638 -41 -48 -439 -63 115 56 38 -136 133 -375 47 -470 368 -627 -87 -434 -18 320 -1 -298 -278 433 -408 -102 37 6 -567 -208 -636 -343 -107 48 -304 -20 180 371 515 129 407 530 646 423 425 158 63 479 706 1034 619 509 -265 -45 457 497 1131 589 83 -490 -409 -824 -227 -183 473 559 992 241 -119 -317 -1337 -1237 -1446 -1051 -1064 -563 -825 -527 -67 537 844 1586 1553 1363 1054 765 -448 -1023 -562 -709 491 1114 -149 -1208 -800 -981 -282 78 -460 -912 -479 -77 211 1193 1575 1463 629 -618 -1327 -854 -281 -471 150 13 844 2088 1461 342 423 -142 704 558 245 -691 -429 290 -960 -1020 -236 -298 58 347 SS 20220107T144252.2Z 8042.613104 113 1 48.00 2 70.82 146.12 103.81 88.97 0.00 1 0.00 1 0 38 4.637e-02 6.668e-03 7.885e-03 6.704e-04 4.904939e-01 3.443811e-04 5.818591e-03 -6.000000e+00 2.699531e-02 223.52 -2.00 3.51 -2.00 318.99 0.00e+00 7.203755e-04 8.220501e-05 3.444637e-04 -6.000000e+00 1.182603e-03 275.83 -2.00 20.00 -2.00 318.41 0.00e+00 3.009 0.000 302.00 328.00 3 1.3489e+00 9.3965e-04 3.8973e-02 -6.0000e+00 6.6510e-02 2.8500e-02 1.0869e-03 2.5002e-02 -6.0000e+00 7.2433e-02 -1.7334e-02 8.2670e-04 1.2510e-02 -6.0000e+00 4.3149e-02 -8.7539e-04 4.3688e-04 3.6471e-03 -6.0000e+00 1.8119e-02 3.7215e-03 -1.2206e-03 1.9880e-05 4.5628e-05 -6.0000e+00 1.3828e-03 -2.4767e-04 3.5444e-05 11 8 0 10 0 0 99.43 22.70 0.21 -0.00025 -0.00942 291 55 1 5 0 164.920 25.58 19.99 22.70 5.07 29.5 1058.83 -22803 -4848 -170 -24941 -10950 -18278 -12414 -7876 -9274 -15658 -16705 -7766 -10415 -12919 1460 -2593 -4688 1432 2364 1794 -1405 -79 15 -2100 -2098 -2026 -557 -4205 -996 -665 1075 1960 1047 -2868 -776 1335 -344 -663 893 -512 -1535 -895 -1689 -1300 -842 342 -1174 -21 -369 1340 1180 569 1008 1149 1061 847 928 76 498 657 1475 1628 1426 435 -471 65 490 1134 1901 1137 11 -315 -651 -747 -647 -197 445 1045 1552 366 76 -592 -1449 -1335 -1077 -1167 -905 -662 -564 -592 -34 532 703 1530 1621 1382 768 682 -478 -662 -544 -583 210 899 -137 -977 -578 -853 -130 -29 -178 -518 -210 -13 118 882 1090 993 459 -413 -836 -513 -256 -247 187 65 592 1555 1039 229 330 -170 328 167 218 -413 -190 91 -445 -431 -226 -85 -45 209 -534 -110 -4 -738 -265 -457 -306 -209 -283 -556 -633 -291 -466 -663 79 -171 -353 110 194 156 -131 -7 1 -218 -236 -243 -67 -517 -115 -77 133 255 156 -481 -128 212 -58 -128 205 -133 -459 -290 -543 -429 -280 113 -399 -7 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