File name: Pandora55s1_QueensNY_20230726_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T120140.2Z 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_20230726_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: 20230726 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 --------------------------------------------------------------------------------------- SU 20230726T120547.0Z 8607.504016 435 1 50.58 2 65.56 84.80 152.60 30.27 0.00 1 0.00 1 0 17 3.415e-01 6.095e-02 1.816e-02 2.580e-03 3.350294e-01 1.353457e-03 3.992355e-03 -6.000000e+00 2.062601e-01 232.51 -2.00 3.51 -2.00 317.97 0.00e+00 2.161961e-02 2.388392e-04 3.395497e-04 -6.000000e+00 9.236776e-03 289.84 -2.00 20.00 -2.00 317.13 0.00e+00 2.400 0.000 302.00 328.00 3 4.7469e+00 3.6408e-03 3.1266e-02 -6.0000e+00 5.1667e-01 2.1468e-01 4.0828e-03 2.8661e-02 -6.0000e+00 5.5703e-01 -2.8136e-01 2.4383e-03 1.2680e-02 -6.0000e+00 3.3232e-01 1.4291e-01 1.2352e-03 1.6390e-02 -6.0000e+00 1.3940e-01 2.4363e-04 -1.2423e-03 7.7239e-05 1.5735e-04 -6.0000e+00 1.0205e-02 7.5216e-04 0.0000e+00 12 9 8 11 8 0 -47.53 22.61 0.45 0.00075 -0.00858 13 2 1 5 0 3890.280 26.00 20.01 22.61 33.93 36.8 1100.00 62647 66639 230951 66846 99186 101993 71899 128294 56848 32635 9828 13919 23046 1315 67383 50406 41905 -98877 81287 63004 63050 50769 43739 18333 16996 7345 28440 4786 10361 14106 22309 31809 27645 18865 24117 36180 16202 11931 15204 10685 -553 1458 -4960 1355 4796 11507 7691 16032 14248 16849 11592 9299 7147 11827 7242 1986 1711 -3824 -3720 -5382 -1872 2477 2470 1174 4518 51 5449 1996 2524 1506 -2822 -1204 -1932 -4718 -2099 -5104 -3712 -1688 -3179 -4002 -2916 374 -1996 -2354 -4617 -3758 -4940 -3237 -3684 -2558 -2187 -1979 -1456 -1489 -2202 -1687 -1537 -484 81 592 611 75 810 1544 597 -675 -906 -1072 403 1633 1071 -413 930 400 10 224 927 1748 1791 1584 252 1134 2500 2456 1539 1090 597 1897 1187 859 2182 1643 1663 1056 645 53 -37 -525 -1191 -1887 -1556 -1815 -1612 -1927 4399 5248 4161 5545 5568 4974 4277 4335 3739 2640 950 1310 2268 194 6665 6819 6763 -55787 10246 9715 9788 8653 7581 3795 3433 1572 4940 1012 2080 2825 4487 6621 6616 5147 6255 8050 4272 3470 4794 3874 -237 647 -2403 649 2303 5388 3774 7433 6701 7806 5707 4869 3988 6591 4280 1226 1056 -2431 -2334 -3409 -1181 1592 1711 880 3459 40 3981 1435 1800 1139 -2367 -1052 -1726 -4260 -1796 -4225 -2839 -1202 -2283 -3057 -2433 332 -1922 -2378 -4895 -4133 -5697 -3829 -4450 -3070 -2559 -2212 -1527 -1492 -2203 -1761 -1729 -586 104 792 816 97 987 1813 713 -846 -1184 -1448 558 2334 1605 -647 1467 625 15 322 1285 2408 2531 2331 386 1759 3820 3686 2270 1567 836 2565 1618 1220 3225 2531 2621 1699 1062 91 -66 -942 -2164 -3458 -2816 -3216 -2778 -3274 SU 20230726T120830.2Z 8607.505906 438 1 52.30 2 65.05 85.22 152.36 31.52 0.00 1 0.00 1 0 17 7.546e-02 1.304e-02 1.234e-02 2.438e-03 3.404058e-01 1.286755e-03 4.002519e-03 -6.000000e+00 4.558796e-02 232.51 -2.00 3.51 -2.00 317.98 0.00e+00 -8.302555e-04 2.277242e-04 1.054106e-04 -6.000000e+00 2.041079e-03 289.84 -2.00 20.00 -2.00 317.11 0.00e+00 2.355 0.000 302.00 328.00 3 4.8253e+00 3.4734e-03 2.9710e-02 -6.0000e+00 1.1420e-01 1.2403e-02 3.9288e-03 1.7898e-02 -6.0000e+00 1.2310e-01 -1.4391e-03 2.4569e-03 8.6640e-03 -6.0000e+00 7.3442e-02 6.2631e-04 1.2343e-03 2.4150e-03 -6.0000e+00 3.0823e-02 2.6065e-04 -4.9467e-04 7.5298e-05 2.8574e-05 -6.0000e+00 2.2546e-03 -1.9258e-03 0.0000e+00 12 9 8 11 32 0 50.84 22.61 0.45 -0.00193 -0.00564 14 3 1 5 0 3735.170 26.00 19.97 22.61 33.94 36.8 1100.00 -28799 8315 -536 -29192 2110 14090 -8840 38791 4571 -1115 12560 -9789 -15254 -37851 23948 -1833 -10878 20372 17089 9797 13199 3187 4722 6282 98 -1732 708 -2650 -3997 1409 -3479 4870 -1715 -10208 -1915 10175 -5066 -5854 2728 3174 -3117 2002 -5214 -1892 -1229 2726 -3551 2770 -2423 2391 -339 1485 -1401 4527 2736 1172 4209 1537 2773 1070 1207 2779 1137 805 1024 -829 -607 -1897 777 1157 -1402 90 898 -1737 1584 -1017 432 2073 -96 -2461 -1999 678 -1388 -1363 -2061 -566 -1576 -394 -1162 -98 -312 -413 818 1188 853 1430 231 693 -167 -511 -548 -1112 -122 1122 468 -512 -389 -773 225 192 615 -847 242 142 -286 17 400 1273 352 -210 -1076 -344 707 835 216 101 -312 627 465 87 627 394 844 398 544 -281 378 55 -214 -950 -558 -148 -397 -203 -2166 501 -37 -2591 131 740 -589 1834 334 -93 954 -943 -1687 -5883 2424 -264 -1838 2731 2473 1582 2123 571 849 1161 20 -387 158 -596 -870 285 -752 1055 -429 -2906 -509 2374 -1384 -1785 900 1204 -1387 916 -2622 -945 -614 1323 -1806 1330 -1202 1148 -171 780 -797 2588 1655 737 2656 999 1778 688 779 1823 800 603 795 -652 -456 -1391 563 889 -1186 80 810 -1592 1373 -853 335 1497 -70 -1901 -1676 606 -1347 -1387 -2194 -623 -1823 -468 -1413 -118 -367 -466 863 1197 856 1493 260 837 -217 -686 -732 -1437 -149 1321 562 -645 -508 -1043 312 276 920 -1325 381 220 -430 25 554 1745 497 -309 -1646 -531 1079 1254 319 145 -436 848 631 123 926 604 1321 635 890 -477 659 99 -387 -1729 -1004 -260 -680 -344 SU 20230726T121117.6Z 8607.507843 441 1 50.39 2 64.52 85.66 152.10 32.78 0.00 1 0.00 1 0 17 7.062e-02 1.187e-02 1.198e-02 2.398e-03 3.351440e-01 1.266872e-03 3.966544e-03 -6.000000e+00 4.266242e-02 232.51 -2.00 3.51 -2.00 317.91 0.00e+00 -3.434808e-04 2.195139e-04 2.380936e-04 -6.000000e+00 1.910046e-03 289.84 -2.00 20.00 -2.00 317.04 0.00e+00 2.310 0.000 302.00 328.00 3 4.8148e+00 3.4157e-03 2.9215e-02 -6.0000e+00 1.0687e-01 8.7820e-03 3.8573e-03 1.7671e-02 -6.0000e+00 1.1520e-01 6.1734e-03 2.3968e-03 8.5349e-03 -6.0000e+00 6.8728e-02 -3.0665e-03 1.2024e-03 2.3103e-03 -6.0000e+00 2.8847e-02 2.7644e-04 -5.4504e-04 7.4185e-05 2.8001e-05 -6.0000e+00 2.1098e-03 -2.3630e-03 0.0000e+00 12 9 8 11 40 0 -63.02 22.61 0.17 -0.00236 -0.00646 14 3 1 5 0 3598.710 26.00 20.03 22.61 33.84 36.8 1100.00 -23536 -19869 3355 -26324 7104 23533 -1799 48202 13994 1280 -6970 -5048 -12515 50 21294 419 -10668 -8347 18952 8614 13772 -1278 6094 -9581 -373 -1693 -1720 -1225 -2040 -2781 221 4943 -673 -6448 -1185 10065 -4066 -2433 1824 2647 -3549 1319 -3961 -1986 -1186 2909 -2406 2861 319 2441 -850 -1237 -1470 3937 3114 1036 4150 -1170 2026 1275 689 2805 1220 556 598 -2527 1188 -1778 1042 1431 -1668 388 250 -1173 1429 -986 907 2979 -282 -2379 -1680 995 -1570 -921 -2651 -732 -1798 -472 -792 -649 288 -80 757 1491 689 1154 285 978 -216 -296 -541 -868 -381 1272 894 -85 -243 -535 210 144 432 -990 285 -98 -279 413 586 1136 584 58 -1444 -411 800 -841 59 -18 -37 1140 378 -284 1045 294 636 -24 710 -342 548 145 -108 -813 -413 -520 -142 -64 -1752 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