File name: Pandora177s1_WestportCT_20231130_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T035320.2Z 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_20231130_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: 20231130 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 20231130T132452.0Z 8734.558936 310 1 15.29 2 77.63 133.86 72.31 290.68 0.00 1 0.00 1 0 25 2.689e-01 1.491e-02 2.737e-01 8.857e-03 5.330287e-01 4.798491e-03 6.959358e-03 -6.000000e+00 1.587922e-01 222.98 -2.00 3.51 -2.00 320.75 0.00e+00 5.476646e-03 1.982319e-03 4.731332e-03 -6.000000e+00 7.070954e-03 278.71 -2.00 20.00 -2.00 320.23 0.00e+00 4.536 0.002 302.00 328.00 3 3.1721e+00 1.5061e-02 5.5957e-02 -6.0000e+00 3.9139e-01 2.3247e-02 1.9413e-02 3.6451e-02 -6.0000e+00 4.2522e-01 -6.1442e-02 1.8729e-02 2.2081e-02 -6.0000e+00 2.5257e-01 1.9858e-02 9.2739e-03 8.2696e-03 -6.0000e+00 1.0851e-01 1.3829e-04 2.7992e-04 2.7780e-04 1.4528e-04 -6.0000e+00 8.1031e-03 -3.1142e-03 0.0000e+00 12 9 9 12 1 1 85.60 23.11 0.45 -0.00311 -0.00101 8 7 1 5 0 1697.690 26.51 20.01 23.11 2.91 21.5 871.39 -109913 -48718 2003 900000 -144654 -19218 -89403 900000 -106310 59883 12475 -37845 34639 -51228 900000 -81534 35592 -74578 75274 -29946 -20122 -7035 2351 7174 -59568 -4093 -33895 -8518 -15337 -27768 -71 7485 31895 -27050 15322 -28168 3026 -8353 14572 10320 -457 12781 -5451 9257 -1592 19268 -4836 15832 2083 10613 7877 7147 13081 1526 3685 232 5957 -2573 -2608 3957 5809 7223 -800 7816 -2165 4918 107 1162 2710 2806 6458 -2694 1800 -2729 1668 -3869 -3628 -3173 -1376 -1107 -4373 -2034 -4427 84 -2267 563 1040 1868 2318 -587 1324 -1419 -1992 -2556 -898 -363 1750 2268 462 280 -2423 -2898 -2605 8 -2632 -782 -333 -238 1128 652 1303 392 750 -1359 620 -480 -136 93 73 1275 1119 856 417 1184 500 -815 -232 22 187 -1005 -490 -1815 -323 -157 372 28 492 988 104 809 -497 -1347 -1451 -420 17 900000 -2864 -166 -1089 900000 -1889 517 108 -470 299 -1161 900000 -3353 538 -3483 893 -1066 -662 -205 65 201 -3470 -141 -1572 -303 -596 -1333 -3 347 1290 -2028 736 -2127 188 -698 1163 991 -54 1413 -756 1139 -223 2245 -733 2007 316 1580 1326 1338 2505 349 863 58 1427 -665 -664 952 1457 1987 -267 2597 -811 1663 37 419 1076 1252 2992 -1402 876 -1307 699 -1561 -1392 -1256 -604 -566 -2654 -1343 -3231 62 -1728 444 856 1552 1888 -500 1034 -1064 -1460 -1980 -767 -333 1788 2558 559 333 -2722 -2983 -2577 8 -2884 -891 -400 -305 1567 1001 2012 625 1169 -2174 919 -700 -202 146 121 2137 1862 1382 653 1781 729 -1155 -325 33 308 -1747 -906 -3560 -655 -337 843 67 1124 2267 239 1872 -1100 -2879 SS 20231130T134923.6Z 8734.575967 320 1 30.10 2 74.44 138.72 76.46 294.04 0.00 1 0.00 1 0 25 9.096e-02 1.042e-02 2.074e-02 1.271e-03 4.399302e-01 6.697502e-04 5.540599e-03 -6.000000e+00 5.331427e-02 222.98 -2.00 3.51 -2.00 319.85 0.00e+00 4.204131e-03 2.065209e-04 2.403342e-03 -6.000000e+00 2.346585e-03 278.71 -2.00 20.00 -2.00 319.28 0.00e+00 3.661 0.001 302.00 328.00 3 1.3743e+00 1.9159e-03 4.3458e-02 -6.0000e+00 1.3117e-01 -1.3904e-03 2.2880e-03 2.4512e-02 -6.0000e+00 1.4234e-01 -1.7332e-02 1.9421e-03 1.4543e-02 -6.0000e+00 8.4887e-02 -1.4175e-03 1.0139e-03 5.8411e-03 -6.0000e+00 3.6579e-02 2.1309e-03 3.5021e-05 3.9420e-05 7.8028e-05 -6.0000e+00 2.6716e-03 -3.2084e-03 0.0000e+00 12 9 9 12 1 1 59.67 23.11 0.39 -0.00321 -0.00295 161 60 1 5 0 185.750 26.51 20.01 23.11 5.22 21.7 888.76 -29256 -18813 -21002 -38496 -33580 -28216 -35403 -32452 -25220 -25106 -23660 -28207 -18369 -14212 -3790 -6006 -5212 950 45 336 -2723 -3277 -2524 -3594 -2424 -4239 -7116 -5861 -7389 -5048 -23 -2597 -1309 -5361 -6606 -4873 -5020 -2823 251 -1932 -1166 -1490 -326 1610 1591 1253 1494 1001 113 521 2232 1805 1620 1435 1126 1832 164 -579 -558 -279 1071 2963 3547 3415 1018 -674 -717 -366 2231 1925 1446 1562 1083 724 -876 -2290 -3419 -3774 -2371 -2370 -2211 -2099 -2571 -1339 -35 701 1560 1676 1620 1351 585 -1057 -1895 -1042 -788 -417 740 1327 600 -523 -1508 -2083 -817 -256 -1596 -1916 -982 -795 1000 1428 1137 770 97 -332 -617 -383 153 349 974 365 713 917 1396 626 532 -1061 -972 349 -58 -557 -1087 -1147 -512 -52 128 -16 654 857 604 44 -310 -1115 -504 -326 -383 -797 -616 -483 -702 -704 -556 -579 -563 -790 -567 -520 -149 -275 -260 48 2 19 -161 -196 -155 -237 -168 -308 -528 -420 -537 -380 -2 -249 -136 -591 -718 -528 -608 -401 41 -373 -245 -334 -75 371 373 299 359 245 29 138 632 561 544 510 417 694 64 -226 -214 -108 432 1291 1700 1754 539 -347 -357 -187 1235 1089 885 981 670 426 -528 -1271 -1805 -2036 -1400 -1466 -1555 -1630 -2154 -1177 -33 686 1589 1735 1655 1323 538 -915 -1584 -892 -743 -444 878 1583 756 -651 -1911 -2436 -914 -296 -2002 -2555 -1251 -1075 1440 2226 1885 1301 160 -519 -908 -545 221 528 1554 607 1180 1473 2157 941 768 -1488 -1339 499 -91 -964 -2004 -2198 -939 -100 261 -34 1416 1872 1313 93 -627 -2181 SS 20231130T135443.0Z 8734.579664 323 1 48.75 2 73.79 139.81 77.34 294.78 0.00 1 0.00 1 0 25 8.241e-02 1.026e-02 1.164e-02 7.555e-04 4.235651e-01 3.962562e-04 5.277237e-03 -6.000000e+00 4.830225e-02 222.98 -2.00 3.51 -2.00 319.88 0.00e+00 3.897901e-03 1.224465e-04 2.297934e-03 -6.000000e+00 2.125971e-03 278.71 -2.00 20.00 -2.00 319.31 0.00e+00 3.523 0.001 302.00 328.00 3 7.9376e-01 1.1381e-03 4.1811e-02 -6.0000e+00 1.1884e-01 -3.3525e-03 1.3604e-03 2.3583e-02 -6.0000e+00 1.2896e-01 -1.2143e-02 1.1450e-03 1.3851e-02 -6.0000e+00 7.6907e-02 -4.3559e-03 5.9467e-04 5.4718e-03 -6.0000e+00 3.3140e-02 4.4357e-03 1.1932e-05 2.3730e-05 7.9988e-05 -6.0000e+00 2.4204e-03 -3.2434e-03 0.0000e+00 12 8 8 10 0 0 10.32 23.11 0.32 -0.00324 -0.00315 568 131 1 5 0 85.820 26.51 19.98 23.11 5.88 21.9 893.68 -24255 -20118 -25718 -26300 -32473 -28046 -29873 -15741 -26739 -24142 -27538 -23213 -19259 -16803 -5585 -4175 -711 -2423 2055 -467 -324 -2300 -3896 -3438 -5342 -4060 -7243 -5048 -6386 -3111 -1590 -722 -841 -5586 -6620 -6029 -4569 -1716 462 -965 -1121 -819 -411 387 763 1722 1107 828 308 876 1914 1723 2180 1585 1318 1485 377 -715 -628 -332 1328 2751 3442 3150 731 -392 -584 -102 2297 1763 1352 1387 988 788 -569 -1937 -3291 -3890 -2304 -2361 -2150 -2108 -2725 -1261 -134 776 1558 1548 1760 1404 581 -1130 -1847 -1106 -615 -291 701 1341 499 -545 -1614 -2027 -771 -220 -1677 -1951 -1069 -785 867 1294 1159 583 255 -482 -717 -464 66 375 885 424 632 976 1331 810 509 -1035 -864 343 -219 -613 -1016 -1325 -422 -43 181 19 698 863 594 -28 -373 -1117 -438 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