File name: Pandora177s1_WestportCT_20240412_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T180146.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20240412_L1_smca1c5d20230401p1-8.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: 20240412 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]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 20240412T184923.6Z 8868.784301 349 1 1.98 2 40.96 226.65 25.14 115.56 0.00 1 0.00 1 0 25 1.623e-02 1.186e-02 2.774e-03 1.584e-03 2.240908e-01 8.421688e-04 2.682695e-03 -6.000000e+00 9.709563e-03 228.43 -2.00 3.51 -2.00 315.67 0.00e+00 9.876077e-04 8.185015e-05 1.320522e-04 -6.000000e+00 4.211005e-04 280.03 -2.00 20.00 -2.00 315.08 0.00e+00 1.323 0.000 302.00 328.00 3 2.2664e+00 2.1736e-03 1.7592e-02 -6.0000e+00 2.4177e-02 3.7518e-02 2.4102e-03 1.1361e-02 -6.0000e+00 2.6132e-02 -2.8721e-03 1.3879e-03 5.5630e-03 -6.0000e+00 1.5531e-02 -6.1206e-03 6.3221e-04 1.6225e-03 -6.0000e+00 6.6232e-03 1.0939e-02 -3.8263e-05 4.7800e-05 2.0172e-05 -6.0000e+00 4.7747e-04 1.7412e-03 0.0000e+00 12 9 9 12 1 1 97.84 22.97 0.38 0.00174 0.00145 13 80 1 5 0 141.100 26.32 20.00 22.97 17.20 24.2 983.87 2934 912 -56 -4148 -3348 -3232 662 1680 -588 -3352 -6059 -3263 -1442 1229 1286 -26 -207 1955 1290 1896 1450 508 2383 1807 1686 503 -643 -563 -674 -290 1786 1490 694 -3418 -5726 -4150 -3318 -1016 291 -1213 -567 -263 325 25 677 456 -96 -237 -831 188 867 1112 1060 753 525 1442 742 -367 -369 -96 1281 1949 2463 1949 246 -1528 -1409 -607 1680 1441 721 1487 986 1366 -86 -1111 -2406 -2575 -2066 -2343 -2299 -2646 -3013 -1561 -405 128 1169 1404 1596 1472 331 -666 -1340 -277 -425 -312 936 1328 711 -585 -1488 -1966 -507 -335 -1598 -1718 -1106 -832 754 1439 1370 1234 563 72 -374 -173 82 174 1034 383 630 664 1115 545 757 -589 -684 547 3 -241 -979 -1293 -472 69 259 166 538 753 603 -131 -445 -1677 719 222 -14 -1059 -771 -719 151 425 -151 -903 -1671 -914 -442 419 452 -10 -82 782 536 806 625 220 1032 825 809 230 -311 -257 -292 -124 787 711 326 -1660 -2719 -2093 -1704 -603 187 -838 -419 -190 237 19 493 351 -73 -174 -601 136 656 841 844 623 446 1235 644 -319 -316 -82 1071 1739 2341 1824 227 -1400 -1199 -542 1506 1362 736 1546 1017 1341 -83 -980 -2080 -2174 -1848 -2218 -2290 -2724 -3297 -1777 -463 155 1405 1714 1916 1768 390 -718 -1418 -289 -473 -362 1126 1643 916 -742 -1847 -2280 -599 -395 -2042 -2215 -1478 -1105 1039 2079 1959 1750 796 98 -476 -221 106 224 1414 530 883 914 1543 726 1004 -750 -843 680 4 -326 -1379 -1779 -660 101 381 254 843 1144 953 -203 -669 -2469 SS 20240412T185338.2Z 8868.787247 352 1 49.50 2 41.54 227.97 24.43 116.97 0.00 1 0.00 1 0 17 1.599e-02 1.118e-02 3.123e-04 1.335e-04 2.253059e-01 7.035827e-05 2.718519e-03 -6.000000e+00 9.561474e-03 228.43 -2.00 3.51 -2.00 316.58 0.00e+00 1.048960e-03 8.350775e-06 2.370702e-04 -6.000000e+00 4.147303e-04 280.03 -2.00 20.00 -2.00 315.92 0.00e+00 1.335 0.000 302.00 328.00 3 1.9586e-01 1.8315e-04 1.7763e-02 -6.0000e+00 2.3808e-02 2.6541e-02 2.0350e-04 1.1480e-02 -6.0000e+00 2.5734e-02 -1.4973e-03 1.1957e-04 5.6534e-03 -6.0000e+00 1.5294e-02 -6.5584e-03 5.7069e-05 1.6547e-03 -6.0000e+00 6.5217e-03 8.5895e-02 -7.6968e-05 4.1064e-06 1.9487e-05 -6.0000e+00 4.7025e-04 2.4511e-03 0.0000e+00 12 8 8 10 0 0 9.06 22.96 0.36 0.00245 0.00187 3106 714 1 5 0 15.660 26.32 19.99 22.96 17.78 24.3 989.20 1847 571 -410 -3610 -3599 -3120 -924 48 -1591 -4370 -5449 -3459 -1690 9 592 39 242 1677 1645 2292 951 823 1718 1846 1615 559 -713 -970 -557 -243 1606 1788 813 -3443 -5487 -4434 -3467 -990 -363 -896 -809 -218 174 174 889 400 -97 -454 -890 60 1080 1014 1118 1017 511 1283 382 -278 -364 181 1291 2299 2652 2045 -34 -1298 -1357 -687 1842 1270 906 1382 1060 1213 -176 -1326 -2425 -2917 -1688 -2098 -2308 -2471 -2851 -1555 -363 303 1242 1190 1586 1265 513 -772 -1459 -382 -435 -88 742 1383 505 -476 -1396 -1882 -730 -389 -1666 -1868 -1027 -841 780 1368 1376 930 622 -19 -371 -274 60 181 903 352 607 640 1103 653 876 -631 -533 599 35 -240 -910 -1154 -418 16 268 75 648 699 474 -131 -519 -1541 295 98 -70 -591 -536 -448 -139 8 -291 -838 -1054 -685 -367 2 161 11 73 517 524 746 317 274 576 649 597 212 -266 -342 -186 -80 548 658 318 -1394 -2167 -1737 -1488 -446 -191 -535 -520 -145 118 118 597 267 -64 -290 -561 38 711 711 825 778 402 1021 283 -223 -289 144 1061 1843 2270 1821 -30 -1072 -1137 -572 1490 1148 881 1373 1044 1139 -155 -1158 -1956 -2307 -1405 -1797 -2201 -2561 -3141 -1786 -405 359 1530 1491 1952 1490 609 -840 -1484 -383 -465 -104 878 1759 670 -620 -1700 -2321 -877 -488 -2094 -2483 -1412 -1204 1159 1980 2056 1383 880 -26 -487 -344 76 242 1278 526 920 952 1577 898 1145 -793 -701 796 46 -336 -1327 -1717 -633 25 413 121 1065 1164 789 -214 -820 -2382 SS 20240412T185856.0Z 8868.790926 355 1 49.28 2 42.29 229.57 23.57 118.82 0.00 1 0.00 1 0 25 1.601e-02 1.094e-02 7.591e-04 2.732e-04 2.261261e-01 1.435904e-04 2.717606e-03 -6.000000e+00 9.579189e-03 228.43 -2.00 3.51 -2.00 317.09 0.00e+00 1.162539e-03 1.920915e-05 3.291884e-04 -6.000000e+00 4.153635e-04 280.03 -2.00 20.00 -2.00 316.41 0.00e+00 1.350 0.000 302.00 328.00 3 1.1305e+00 3.7731e-04 1.7902e-02 -6.0000e+00 2.3852e-02 2.3584e-02 4.2112e-04 1.1492e-02 -6.0000e+00 2.5780e-02 3.2182e-03 2.5100e-04 5.6961e-03 -6.0000e+00 1.5321e-02 -8.5290e-03 1.2139e-04 1.7141e-03 -6.0000e+00 6.5351e-03 3.3152e-02 1.6601e-04 8.4811e-06 1.9599e-05 -6.0000e+00 4.7097e-04 6.4043e-04 0.0000e+00 12 8 8 10 0 0 99.99 22.96 0.37 0.00064 0.00189 3084 709 1 5 0 15.770 26.32 20.00 22.96 18.50 24.3 992.92 1507 298 -591 -3363 -3652 -2724 -950 30 -1890 -4536 -5758 -3646 -1666 -81 694 224 138 1509 1366 2236 761 833 1617 1937 1417 496 -862 -1095 -755 -402 1465 1626 775 -3498 -5371 -4337 -3418 -1026 -458 -959 -909 -360 136 144 916 326 -142 -432 -880 -22 1114 1005 1136 1012 512 1232 320 -376 -399 104 1284 2305 2737 2107 -73 -1310 -1447 -700 1810 1233 845 1378 1051 1182 -158 -1345 -2385 -3021 -1699 -2150 -2349 -2491 -2923 -1593 -390 267 1213 1218 1624 1261 522 -831 -1418 -475 -483 -163 665 1308 425 -543 -1466 -1952 -808 -408 -1671 -1886 -1007 -812 784 1371 1407 956 571 -59 -484 -413 -50 91 823 344 603 673 1090 656 825 -705 -622 511 -62 -342 -949 -1203 -474 -21 248 100 670 729 528 -50 -449 -1463 198 42 -83 -452 -448 -321 -117 4 -285 -718 -921 -597 -299 -16 156 54 35 387 362 605 211 230 451 565 436 156 -267 -322 -210 -110 417 500 253 -1184 -1771 -1419 -1226 -425 -222 -527 -538 -220 84 90 567 201 -86 -255 -512 -13 677 651 774 715 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