File name: Pandora177s1_WestportCT_20230804_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T025458.5Z 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_20230804_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: 20230804 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 20230804T143158.8Z 8616.605542 345 1 47.68 2 39.64 116.01 105.10 274.56 0.00 1 0.00 1 0 17 1.622e-02 1.200e-02 4.164e-03 1.765e-03 1.925385e-01 9.395199e-04 2.360963e-03 -6.000000e+00 9.853024e-03 232.23 -2.00 3.51 -2.00 316.80 0.00e+00 1.025197e-03 1.186987e-04 3.769691e-04 -6.000000e+00 4.383803e-04 289.90 -2.00 20.00 -2.00 315.96 0.00e+00 1.297 0.000 302.00 328.00 3 4.4757e+00 2.4753e-03 1.6516e-02 -6.0000e+00 2.4679e-02 3.5739e-02 2.7563e-03 1.0003e-02 -6.0000e+00 2.6541e-02 -1.8449e-03 1.6024e-03 4.8431e-03 -6.0000e+00 1.5821e-02 -7.6289e-03 7.5646e-04 1.3425e-03 -6.0000e+00 6.7687e-03 1.3146e-03 -2.5630e-05 5.4996e-05 1.6879e-05 -6.0000e+00 4.7751e-04 -1.1404e-02 0.0000e+00 12 8 8 10 0 0 100.00 23.52 0.45 -0.01140 -0.01160 155 36 1 5 0 307.480 26.94 19.96 23.52 28.77 21.7 1042.26 1141 1620 -1287 -2059 -1847 -1818 -659 -584 -238 -5196 -3759 -3510 -567 75 1858 104 -661 2152 1216 1979 91 1007 175 1906 1169 759 -971 -1279 689 -1280 2030 1562 1610 -3775 -6004 -4778 -4134 -460 -942 -336 -876 30 148 164 987 394 -441 -737 -751 -598 1132 734 1111 515 607 1543 412 -76 -900 515 856 2792 2520 2409 239 -1367 -1243 -1416 1833 1528 1146 1222 1280 1209 -95 -1078 -2780 -3060 -2342 -2177 -2740 -2544 -3051 -1632 -195 33 1401 1290 1690 1043 616 -853 -1617 -666 -879 -110 262 1346 267 -377 -1676 -2202 -1188 -624 -1445 -2077 -1074 -1033 837 1568 1861 1209 657 -48 -491 -498 -547 90 686 522 728 805 1177 446 764 -629 -919 205 52 -485 -757 -1266 -562 217 259 268 538 954 424 100 -577 -1688 193 289 -234 -349 -283 -267 -101 -100 -44 -1029 -726 -697 -120 18 484 29 -194 632 371 616 29 318 56 630 408 270 -341 -425 212 -392 627 519 562 -1379 -2139 -1674 -1579 -199 -483 -193 -545 19 96 107 639 254 -279 -452 -449 -359 697 481 762 367 442 1133 308 -57 -668 379 652 2237 2163 2138 211 -1127 -943 -1064 1441 1337 1083 1189 1234 1118 -83 -851 -2029 -2160 -1730 -1784 -2506 -2517 -3211 -1786 -225 40 1784 1678 2164 1286 704 -895 -1573 -633 -884 -121 314 1726 359 -498 -2083 -2559 -1343 -736 -1840 -2815 -1502 -1503 1255 2455 2993 1938 1006 -69 -645 -624 -692 119 965 778 1105 1204 1695 619 1007 -796 -1122 251 67 -671 -1085 -1853 -835 335 421 454 935 1675 750 173 -975 -2792 SS 20230804T144210.9Z 8616.612626 352 1 9.62 2 37.94 118.79 106.91 276.26 0.00 1 0.00 1 0 25 1.668e-02 1.223e-02 5.271e-03 2.763e-03 1.872033e-01 1.478852e-03 2.268775e-03 -6.000000e+00 1.013245e-02 232.23 -2.00 3.51 -2.00 316.05 0.00e+00 1.163871e-03 1.595438e-04 2.503131e-04 -6.000000e+00 4.508249e-04 289.90 -2.00 20.00 -2.00 315.26 0.00e+00 1.267 0.000 302.00 328.00 3 4.6072e+00 3.8578e-03 1.6064e-02 -6.0000e+00 2.5379e-02 3.6372e-02 4.2703e-03 9.6700e-03 -6.0000e+00 2.7294e-02 -1.1603e-03 2.4617e-03 4.6677e-03 -6.0000e+00 1.6270e-02 -7.5426e-03 1.1348e-03 1.3217e-03 -6.0000e+00 6.9605e-03 1.1988e-03 -4.8058e-06 8.4491e-05 1.6556e-05 -6.0000e+00 4.9106e-04 -1.1245e-02 0.0000e+00 12 9 9 12 9 1 99.99 23.46 0.28 -0.01124 -0.01128 14 18 1 5 0 629.490 26.83 20.01 23.46 29.06 21.8 1044.35 2979 -1534 1256 -2499 -3202 -3406 -2558 2544 -1841 -2136 -5652 -2229 -1198 897 813 -36 -13 2766 1261 656 1766 168 2671 1250 1525 1195 -1274 -775 207 -545 1129 2534 794 -2348 -5595 -4781 -3623 -2202 -337 -972 -448 -350 343 320 804 538 -497 -741 -1343 -110 1118 1163 1139 866 569 1340 1064 -85 -138 -197 1592 2220 2699 2076 400 -1116 -1698 -608 2204 1563 676 1549 1509 504 146 -1664 -2854 -3925 -2070 -2610 -2432 -2676 -2588 -1781 -600 374 1388 1590 1393 1476 340 -854 -1307 -918 -517 -366 796 868 737 -742 -1304 -2062 -1139 -713 -1494 -1519 -1118 -209 450 1079 1329 1033 770 41 -206 -562 -53 413 1077 471 1090 624 1157 874 1100 -22 -1379 243 -121 -118 -724 -1132 -421 -165 436 -214 961 641 715 -339 -624 -1707 647 -370 291 -556 -649 -663 -522 550 -450 -533 -1445 -566 -332 275 277 -12 -5 976 464 250 672 65 1012 501 637 509 -539 -307 82 -212 450 1066 334 -1011 -2529 -2133 -1643 -1159 -205 -631 -311 -252 250 234 584 387 -351 -508 -902 -74 768 846 870 685 461 1096 879 -71 -113 -163 1340 1989 2428 1939 369 -1017 -1434 -502 1910 1429 670 1568 1515 490 140 -1462 -2304 -3088 -1683 -2372 -2309 -2760 -2822 -2031 -684 451 1743 2032 1764 1786 406 -931 -1318 -961 -539 -416 932 1098 968 -965 -1584 -2479 -1335 -872 -1870 -2011 -1537 -296 632 1582 2000 1543 1094 57 -264 -689 -65 532 1476 652 1532 915 1631 1184 1415 -28 -1747 307 -154 -159 -1012 -1614 -609 -249 654 -337 1540 1045 1166 -548 -977 -2617 SS 20230804T160803.1Z 8616.672258 407 1 26.15 2 26.37 151.40 121.64 291.97 0.00 1 0.00 1 0 17 1.560e-02 1.217e-02 5.408e-04 3.160e-04 1.679854e-01 1.702189e-04 2.039151e-03 -6.000000e+00 9.478039e-03 232.23 -2.00 3.51 -2.00 315.66 0.00e+00 8.429375e-04 1.685025e-05 2.049037e-04 -6.000000e+00 4.218071e-04 289.90 -2.00 20.00 -2.00 314.90 0.00e+00 1.116 0.000 302.00 328.00 3 1.5532e+00 4.4187e-04 1.4240e-02 -6.0000e+00 2.3739e-02 2.2373e-02 4.8894e-04 8.6480e-03 -6.0000e+00 2.5532e-02 -6.7751e-03 2.8044e-04 4.1724e-03 -6.0000e+00 1.5220e-02 -5.4063e-03 1.2595e-04 1.1543e-03 -6.0000e+00 6.5098e-03 3.0962e-02 -6.0861e-05 9.6693e-06 1.6075e-05 -6.0000e+00 4.5947e-04 -9.8706e-03 0.0000e+00 12 9 9 12 1 1 100.00 23.38 0.34 -0.00987 -0.01033 769 276 1 5 0 33.520 26.73 20.01 23.38 30.04 21.8 1050.28 2371 1276 177 -2775 -3001 -2550 -323 1180 -160 -3101 -4437 -2947 -1155 143 820 259 78 1690 1475 2114 838 703 1500 2007 1969 1000 -177 -805 -247 -378 1448 1480 858 -3266 -5669 -4591 -3845 -1222 -356 -661 -677 -59 232 195 840 403 -127 -666 -950 -208 886 1019 1104 1021 460 1362 553 -112 -370 166 1141 2234 2704 2232 234 -1264 -1407 -1007 1720 1375 986 1447 1285 1412 93 -1318 -2584 -3210 -2035 -2252 -2498 -2579 -2871 -1701 -337 307 1339 1280 1659 1365 525 -764 -1630 -602 -605 -226 542 1322 547 -472 -1455 -2174 -1114 -673 -1609 -1929 -971 -893 734 1498 1586 1222 819 152 -348 -365 -121 63 895 558 723 662 1075 658 904 -555 -721 361 -56 -226 -867 -1231 -474 13 308 145 634 725 471 -78 -539 -1678 620 356 49 -731 -715 -578 -76 303 -45 -914 -1306 -874 -368 50 317 107 30 719 586 856 347 290 619 858 880 457 -79 -375 -107 -160 622 677 413 -1619 -2739 -2182 -1989 -658 -223 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