File name: Pandora177s1_WestportCT_20240215_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T043432.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20240215_L1_smca1c7d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20240215 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: 218 359 Nominal wavelengths inside fitting window [nm]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20240215T131249.7Z 8811.550575 76 1 25.60 2 76.28 120.95 105.88 49.19 0.00 1 0.00 1 0 17 3.576e-01 2.149e-02 2.689e-01 1.267e-02 5.879322e-01 6.919061e-03 7.941924e-03 -6.000000e+00 2.108407e-01 224.89 -2.00 3.51 -2.00 321.00 0.00e+00 1.308641e-02 2.866745e-03 5.216202e-03 -6.000000e+00 9.091217e-03 275.13 -2.00 20.00 -2.00 320.52 0.00e+00 4.119 0.001 302.00 328.00 3 4.0296e+00 2.1745e-02 5.3253e-02 -6.0000e+00 5.2156e-01 2.4405e-01 2.7084e-02 3.3618e-02 -6.0000e+00 5.6581e-01 -3.6002e-01 2.4685e-02 2.6061e-02 -6.0000e+00 3.3621e-01 1.5049e-01 1.2279e-02 1.5218e-02 -6.0000e+00 1.4366e-01 7.5760e-05 2.0914e-04 3.8746e-04 2.5808e-04 -6.0000e+00 1.0509e-02 3.9106e-03 0.0000e+00 12 9 9 12 1 1 93.39 23.03 0.18 0.00391 0.00548 7 3 1 5 0 3199.710 26.41 20.02 23.03 -2.35 21.7 842.80 -111277 -86545 32547 -132472 -113415 -147959 -146183 -114951 -53436 -110477 -57155 -19490 19085 -91461 -23309 -70279 -14545 -37429 40716 -44768 -17655 -5900 -18746 -31301 -20764 -14900 7800 5422 -5817 117777 -39220 -17025 -15786 294 27788 -723 23757 11094 39464 -2713 1454 6784 26752 9664 4933 23589 4269 22198 6836 15638 25286 25938 766 7930 7113 -2431 11249 5989 8365 12037 10301 9313 6275 11959 9349 8732 2032 4329 -1142 6542 1839 4008 -1912 -4035 -4596 -7899 -3044 -8705 -4464 1678 -4846 -5909 -1337 -460 -3195 175 510 2787 3092 2692 -1011 -2170 -3720 -2994 -1018 -2744 1312 1577 -47 535 -1508 -4559 -1912 1361 -4040 -4120 -1892 -169 1525 1062 1803 -464 -49 -384 -349 -986 -2505 169 1133 600 1880 2682 2410 2520 1712 -836 -1658 1696 -1484 507 -295 -917 360 -154 13 950 809 1105 -367 -644 -993 -1519 -2668 -1823 402 -4235 -2719 -4730 -4673 -2840 -738 -2729 -872 -241 236 -3921 -627 -3523 -465 -1632 911 -2277 -680 -209 -752 -1450 -882 -598 247 176 -220 1455 -2785 -1143 -1158 19 1287 -45 1265 788 2468 -291 163 765 2581 1141 628 2568 580 2605 976 2185 3513 3924 160 1622 1510 -576 2319 1276 1711 2407 2242 2293 1792 3508 2872 2622 641 1400 -436 2580 812 1757 -860 -1729 -1799 -2908 -1027 -3273 -1840 764 -2708 -3708 -862 -311 -2361 133 402 2179 2368 1974 -718 -1459 -2487 -2110 -797 -2527 1329 1773 -57 625 -1649 -4660 -1826 1301 -4342 -4691 -2230 -210 2065 1598 2895 -783 -80 -603 -520 -1447 -3816 264 1850 1006 3065 4178 3630 3665 2415 -1163 -2319 2463 -2495 927 -582 -1911 780 -356 29 2240 1947 2661 -884 -1582 -2299 -3368 SS 20240215T133521.3Z 8811.566219 82 1 49.23 2 72.72 125.30 102.63 53.32 0.00 1 0.00 1 0 25 1.838e-01 1.173e-02 1.145e-01 5.082e-03 4.884818e-01 2.733199e-03 6.163709e-03 -6.000000e+00 1.083610e-01 224.89 -2.00 3.51 -2.00 320.49 0.00e+00 3.922448e-03 9.873995e-04 3.457321e-03 -6.000000e+00 4.673568e-03 275.14 -2.00 20.00 -2.00 319.98 0.00e+00 3.319 0.001 302.00 328.00 3 4.0878e+00 8.1765e-03 4.3370e-02 -6.0000e+00 2.6805e-01 2.6162e-03 1.0135e-02 2.9653e-02 -6.0000e+00 2.9082e-01 -1.8703e-02 9.4195e-03 1.8494e-02 -6.0000e+00 1.7281e-01 -5.2593e-03 4.7809e-03 7.4602e-03 -6.0000e+00 7.3820e-02 1.8214e-04 6.8676e-04 1.6159e-04 1.1403e-04 -6.0000e+00 5.4030e-03 5.8923e-03 0.0000e+00 12 8 8 10 0 0 99.48 23.02 0.30 0.00589 0.01105 24 6 1 5 0 2051.140 26.41 20.01 23.02 -1.58 21.8 848.43 -68912 -50911 -63835 -66580 -49668 -22836 -38219 -88171 -38658 -89000 -49008 -25946 -40045 -12460 -3542 -24012 -22379 -4573 -10698 10887 -3687 6223 1547 -21616 856 -3406 -15822 -9484 -5916 11711 1739 6753 10899 -12725 -7434 -5872 3525 -8181 -5298 -594 87 3265 3231 4381 449 3209 -1210 163 -906 2389 3350 3293 4324 2131 -579 2671 -1502 -1537 516 1428 1117 4594 7304 3379 508 -171 -1440 -2249 701 1926 3824 3443 420 -250 -736 -2814 -3137 -4296 -3223 -1786 -1837 -1611 -3064 -491 467 621 1139 1483 1087 1752 -558 -1432 -2834 -998 -1473 -142 890 1440 510 -423 -1303 -1924 -504 -117 -1756 -2144 -1180 -539 1360 1168 1477 720 -306 -1444 -373 -641 -522 510 1109 819 889 997 1182 860 388 -762 -732 258 -162 -800 -1076 -1350 -812 25 105 583 585 895 549 295 -364 -1545 -960 -706 -1033 -1056 -623 -219 -467 -2010 -587 -2352 -923 -446 -979 -288 -90 -857 -865 -160 -424 363 -145 224 61 -1150 39 -165 -862 -476 -289 518 98 419 713 -1072 -580 -462 285 -897 -676 -83 13 510 524 718 78 550 -220 30 -173 470 714 770 1080 576 -168 771 -457 -463 150 415 346 1521 2611 1345 209 -68 -566 -933 316 959 2002 1847 226 -128 -345 -1310 -1392 -1995 -1663 -982 -1152 -1114 -2306 -382 384 542 1034 1359 981 1496 -454 -1093 -2125 -770 -1272 -138 965 1710 637 -519 -1480 -2014 -506 -122 -1986 -2572 -1478 -716 1931 1813 2424 1209 -503 -2265 -546 -916 -761 775 1771 1349 1450 1574 1796 1266 549 -1046 -996 370 -257 -1400 -2004 -2625 -1646 52 235 1358 1391 2135 1299 673 -793 -3271 SS 20240215T135504.4Z 8811.579912 93 1 50.21 2 69.76 129.30 99.65 56.77 0.00 1 0.00 1 0 25 1.387e-01 1.233e-02 1.360e-01 6.388e-03 4.228459e-01 3.396134e-03 5.383070e-03 -6.000000e+00 8.182255e-02 224.89 -2.00 3.51 -2.00 320.02 0.00e+00 3.663182e-03 1.053164e-03 2.702256e-03 -6.000000e+00 3.589023e-03 275.14 -2.00 20.00 -2.00 319.48 0.00e+00 2.861 0.000 302.00 328.00 3 4.9208e+00 9.7522e-03 3.6952e-02 -6.0000e+00 2.0235e-01 -4.9643e-03 1.1670e-02 2.4459e-02 -6.0000e+00 2.1955e-01 -1.4972e-03 1.0072e-02 1.4831e-02 -6.0000e+00 1.3046e-01 -1.1090e-02 5.2358e-03 5.9207e-03 -6.0000e+00 5.5838e-02 1.3236e-04 7.2129e-04 2.0479e-04 8.0834e-05 -6.0000e+00 4.1253e-03 5.8081e-03 0.0000e+00 12 9 8 11 8 0 99.43 23.01 0.46 0.00581 0.01123 16 4 1 5 0 3137.540 26.41 20.02 23.01 -0.70 21.9 855.12 -47329 48515 -10824 900000 -62442 64276 -24006 -21557 6981 -59320 -11340 -31081 5558 -12807 63804 17939 20361 3475 -6918 -923 -16214 12588 -21474 4399 -10710 -5291 -10652 -7189 -1600 -15772 7779 -12571 3691 -5036 -5381 -7573 -4976 -708 -4225 27 -3590 2648 1675 6220 -5380 1553 4113 -1853 670 -574 6079 635 2558 4418 2317 2470 797 -2410 -5031 830 2341 3089 3220 6242 385 78 -2237 -2164 3843 568 3722 1387 1603 -1433 -1473 -62 -2461 -1079 -3800 580 -2710 180 -3771 -1193 84 -958 960 467 2446 352 1256 -1202 -1202 -820 -728 -96 -230 1490 63 174 -3103 -2037 -1602 -210 -1076 -1279 -1145 -1213 1222 1166 975 1449 264 -810 338 -686 -918 390 931 1611 549 713 1523 448 205 -1401 -581 16 -295 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