File name: Pandora55s1_QueensNY_20240919_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240920T045942.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240919_L1_smca1c18d20230426p1-8.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: 20240919 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 20240919T121811.8Z 9028.512636 261 1 38.50 2 72.48 104.10 89.40 278.52 0.00 1 0.00 1 0 25 1.273e-01 1.029e-02 3.125e-02 2.608e-03 4.219195e-01 1.368032e-03 4.987417e-03 -6.000000e+00 7.584749e-02 228.71 -2.00 3.51 -2.00 318.91 0.00e+00 1.711279e-04 3.250060e-04 3.907374e-04 -6.000000e+00 3.448551e-03 287.38 -2.00 20.00 -2.00 318.12 0.00e+00 3.274 0.001 302.00 328.00 3 3.6562e+00 3.7831e-03 3.9410e-02 -6.0000e+00 1.8840e-01 1.2513e-02 4.3800e-03 2.2188e-02 -6.0000e+00 2.0375e-01 4.4723e-03 3.1234e-03 1.0789e-02 -6.0000e+00 1.2183e-01 -6.0398e-03 1.6303e-03 3.0273e-03 -6.0000e+00 5.1565e-02 3.1470e-04 -6.4464e-04 8.0169e-05 3.6416e-05 -6.0000e+00 3.8020e-03 -1.2907e-03 0.0000e+00 12 9 9 12 33 1 59.37 22.50 0.18 -0.00129 -0.00613 17 5 1 5 0 2138.720 26.21 20.01 22.50 26.49 37.9 1052.00 -12815 -42630 900000 -59552 27031 10461 -3866 101844 10403 -10241 -27934 -3667 -23975 6425 33936 1754 -19599 15773 25104 13625 -7480 4216 11609 -17604 2961 -5764 1829 -6648 -3586 -7646 3040 7516 352 -2522 -3302 -2941 -4764 -3348 1362 4108 -4507 2029 -4537 -1782 -993 4957 -2887 3279 1514 3758 254 -622 -1386 4705 4317 311 3382 1125 2657 937 -415 388 1485 -1336 609 -1446 2128 -460 1099 1006 -40 -31 346 -2178 741 -1190 1147 2615 1566 -733 -1085 982 -1522 -1243 -1549 -869 -1868 -551 -1178 -399 -275 -64 483 1319 1172 1531 471 210 -457 -654 -252 -726 255 1388 430 -517 -201 -978 124 815 212 -813 -384 -167 -529 562 786 1437 429 -462 -1258 -919 424 770 79 305 -189 830 766 -2 724 308 530 241 527 -445 -80 395 -378 -334 -419 -384 -31 -221 -342 -1722 900000 -3023 584 251 -109 1201 322 -419 -1409 -156 -1375 328 1586 127 -1902 1189 1840 1173 -809 418 1099 -2289 344 -768 234 -907 -461 -1006 381 1005 56 -441 -591 -514 -868 -674 310 1070 -1421 656 -1618 -639 -358 1715 -1069 1156 544 1351 98 -258 -622 2131 2062 159 1737 595 1385 489 -220 212 858 -849 400 -971 1349 -289 694 682 -29 -24 279 -1780 573 -883 780 1666 1002 -507 -831 811 -1378 -1186 -1544 -901 -2041 -618 -1347 -453 -304 -67 482 1264 1126 1550 518 251 -586 -872 -335 -932 308 1611 508 -641 -259 -1307 171 1163 319 -1284 -617 -266 -817 829 1122 2039 627 -704 -1986 -1465 664 1183 119 447 -271 1153 1075 -3 1122 500 883 411 922 -811 -150 752 -731 -648 -804 -720 -56 -397 SS 20240919T122511.2Z 9028.517491 265 1 50.07 2 71.20 105.36 90.64 279.64 0.00 1 0.00 1 0 25 1.041e-01 9.174e-03 1.628e-02 1.857e-03 3.966952e-01 9.692155e-04 4.711296e-03 -6.000000e+00 6.198616e-02 228.71 -2.00 3.51 -2.00 318.63 0.00e+00 3.548331e-04 2.104695e-04 1.762749e-04 -6.000000e+00 2.785440e-03 287.38 -2.00 20.00 -2.00 317.83 0.00e+00 3.065 0.000 302.00 328.00 3 3.5370e+00 2.6519e-03 3.6925e-02 -6.0000e+00 1.5396e-01 1.7258e-02 3.0424e-03 2.0759e-02 -6.0000e+00 1.6652e-01 -4.5053e-03 2.0682e-03 1.0124e-02 -6.0000e+00 9.9510e-02 -2.2989e-03 1.0731e-03 2.8333e-03 -6.0000e+00 4.1970e-02 4.4758e-04 -7.7213e-04 5.7073e-05 3.4517e-05 -6.0000e+00 3.1057e-03 -8.2708e-04 0.0000e+00 11 8 0 10 0 0 98.31 22.51 0.27 -0.00083 -0.00663 36 7 1 5 0 1390.420 26.21 20.01 22.51 26.65 38.0 1052.98 -24948 -28588 80228 -40831 3 1363 -18530 43761 -8532 -6588 -23234 -7652 -21023 -3137 21101 -3277 -12577 7995 17927 9928 -4633 -1099 5159 -10514 719 -4810 15495 -2297 -3015 -7205 -1887 4657 -2583 45 -3265 8539 -3954 -3254 2058 1856 -3607 -220 -2933 -1660 -1101 2338 -2024 1153 771 1878 1106 752 -339 3075 2534 1671 1973 1129 1895 475 -559 2635 1733 -319 162 -1643 1724 -462 1288 1282 -13 102 448 -1502 1067 -476 402 1336 597 84 -1017 464 -1779 -1244 -1574 -1100 -1430 -805 -1101 -688 -144 -79 477 1427 1373 1015 268 688 -167 -874 -406 -921 -46 1025 267 -549 -460 -631 -90 547 263 -678 25 -133 -155 564 850 1230 299 -380 -969 -511 176 367 84 351 57 996 830 146 580 356 367 394 425 -304 -30 130 -354 -704 -387 -349 31 -109 -1014 -1374 1502 -2341 0 48 -797 1167 -415 -341 -1464 -437 -1509 -223 1410 -312 -1429 806 1746 1093 -600 -141 634 -1558 103 -768 2109 -361 -460 -1127 -294 751 -493 9 -677 1557 -828 -751 531 559 -1278 -81 -1158 -666 -444 925 -831 460 309 758 465 337 -164 1531 1328 911 1102 642 1069 268 -318 1514 1068 -214 113 -1171 1155 -306 853 906 -10 84 376 -1271 858 -366 287 899 402 60 -803 396 -1659 -1213 -1604 -1166 -1589 -922 -1284 -799 -163 -85 486 1392 1340 1043 298 825 -215 -1171 -542 -1188 -55 1200 319 -684 -597 -846 -124 786 396 -1068 40 -210 -238 826 1205 1735 434 -576 -1518 -809 275 563 127 514 82 1379 1158 213 890 569 604 660 733 -543 -56 244 -673 -1344 -730 -643 55 -192 SS 20240919T123103.6Z 9028.521569 268 1 50.76 2 70.13 106.42 91.68 280.59 0.00 1 0.00 1 0 25 3.912e-02 7.136e-03 7.433e-03 1.183e-03 3.792050e-01 6.165046e-04 4.533604e-03 -6.000000e+00 2.329976e-02 228.71 -2.00 3.51 -2.00 318.32 0.00e+00 3.728673e-04 1.215839e-04 1.575931e-04 -6.000000e+00 1.047008e-03 287.37 -2.00 20.00 -2.00 317.51 0.00e+00 2.910 0.000 302.00 328.00 3 2.8805e+00 1.6697e-03 3.5143e-02 -6.0000e+00 5.7872e-02 1.3352e-02 1.9009e-03 1.9836e-02 -6.0000e+00 6.2592e-02 -3.2155e-03 1.2428e-03 9.6716e-03 -6.0000e+00 3.7404e-02 -3.4662e-03 6.4009e-04 2.7064e-03 -6.0000e+00 1.5776e-02 1.0267e-03 -7.1296e-04 3.6306e-05 3.3236e-05 -6.0000e+00 1.1674e-03 -8.2926e-04 0.0000e+00 11 9 0 11 8 0 98.12 22.50 0.17 -0.00083 -0.00619 82 16 1 5 0 618.940 26.21 19.98 22.50 26.78 38.0 1053.76 -15423 -14462 20443 -20170 -2407 -7705 -5290 9074 -2038 -4782 -12241 -6066 -7773 -1968 7873 104 -4420 -7528 5929 5296 -2972 1465 1568 -3283 379 -2191 5694 -2033 -81 -1215 -105 1875 955 -2010 -884 3337 -1579 -850 510 1181 -2272 -330 -2825 -1361 -1150 955 -1699 101 -214 1203 427 236 226 1931 1579 737 1777 399 1137 584 834 1859 1402 355 16 -397 828 600 1397 1225 -58 63 -402 -905 -81 -368 519 1090 1165 -11 -306 -342 -1469 -1320 -1154 -1146 -1153 -781 -617 -556 -273 92 418 1484 1293 1362 548 693 -366 -630 -405 -788 -18 758 129 -777 -445 -975 41 155 -41 -286 -196 -8 -85 645 910 985 500 -263 -779 -588 -169 1 117 76 282 1335 1099 346 589 275 440 250 321 -331 -199 207 -533 -540 -412 -275 -123 147 -743 -787 859 -1224 -117 -372 -257 424 -118 -308 -875 -428 -616 -171 731 12 -568 -1058 778 731 -457 220 239 -545 65 -406 1005 -378 -14 -212 -19 361 205 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