File name: Pandora177s1_WestportCT_20240516_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T183433.8Z 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_20240516_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: 20240516 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 20240516T131512.0Z 8902.552222 215 1 20.02 2 50.30 98.90 125.09 23.38 0.00 1 0.00 1 0 17 1.919e-02 1.161e-02 8.545e-03 2.809e-03 2.404451e-01 1.485903e-03 2.922787e-03 -6.000000e+00 1.159648e-02 231.23 -2.00 3.51 -2.00 317.27 0.00e+00 1.382480e-03 2.111179e-04 4.906586e-04 -6.000000e+00 5.054573e-04 283.72 -2.00 20.00 -2.00 316.54 0.00e+00 1.562 0.000 302.00 328.00 3 4.7559e+00 3.9344e-03 2.0166e-02 -6.0000e+00 2.9035e-02 4.6006e-02 4.3919e-03 1.2485e-02 -6.0000e+00 3.1300e-02 -8.7836e-04 2.6314e-03 6.1119e-03 -6.0000e+00 1.8600e-02 -8.0781e-03 1.2898e-03 1.7777e-03 -6.0000e+00 7.9123e-03 6.9388e-04 2.1616e-04 8.7035e-05 1.9900e-05 -6.0000e+00 5.6489e-04 2.5863e-03 0.0000e+00 12 9 9 12 1 1 99.99 23.09 0.33 0.00259 0.00421 19 11 1 5 0 1000.720 26.41 19.99 23.09 21.15 24.7 1012.05 1785 355 -1422 -1546 -8728 -3906 -4386 3225 -3035 -3957 -6755 -2147 -3210 -931 1687 -81 1534 -276 3764 883 1166 -437 2861 2969 1663 810 -1415 -1937 -1324 -261 583 1616 -414 -3006 -5946 -4187 -2173 -1005 -495 -1488 -181 -1043 208 638 765 920 133 -347 -1493 -200 1559 741 618 1261 859 1605 722 -432 -911 -582 1371 2598 3366 1772 -121 -544 -1984 -1260 1881 1629 1127 1096 1572 737 217 -1429 -3225 -2952 -1770 -2157 -2220 -2569 -2143 -1937 -608 498 1450 1364 1410 1306 263 -829 -2232 -680 -746 -230 642 1013 635 -627 -1605 -2267 -1110 -574 -1738 -1576 -887 -498 891 1682 1549 1037 969 -554 168 -437 -138 23 800 654 524 752 998 905 790 -653 -1094 98 -134 -438 -1099 -861 -431 180 194 -31 670 757 518 14 -567 -1435 206 44 -179 -180 -997 -413 -498 380 -412 -553 -972 -310 -527 -172 340 -18 347 -66 894 222 296 -113 725 789 470 234 -407 -530 -369 -72 169 502 -129 -952 -1999 -1390 -728 -394 -228 -779 -101 -610 122 376 451 536 76 -195 -837 -113 908 464 409 859 601 1138 520 -311 -651 -417 1009 2034 2805 1554 -105 -439 -1514 -958 1511 1457 1013 1012 1425 689 188 -1132 -2384 -2131 -1351 -1851 -2121 -2495 -2196 -2091 -691 598 1808 1730 1761 1557 292 -905 -2299 -689 -809 -255 780 1328 864 -838 -2007 -2653 -1265 -683 -2239 -2139 -1248 -728 1273 2519 2400 1601 1422 -814 226 -569 -182 32 1174 1009 820 1153 1473 1280 1065 -847 -1380 125 -183 -638 -1670 -1330 -681 297 315 -52 1158 1324 905 24 -940 -2325 SS 20240516T131920.9Z 8902.555103 218 1 4.67 2 49.53 99.69 124.80 24.52 0.00 1 0.00 1 0 25 2.255e-02 1.308e-02 9.482e-03 4.164e-03 2.349074e-01 2.215728e-03 2.797987e-03 -6.000000e+00 1.363163e-02 231.23 -2.00 3.51 -2.00 316.52 0.00e+00 1.383667e-03 2.615010e-04 2.316494e-04 -6.000000e+00 5.939820e-04 283.72 -2.00 20.00 -2.00 315.81 0.00e+00 1.538 0.000 302.00 328.00 3 4.3913e+00 5.8062e-03 1.9736e-02 -6.0000e+00 3.4131e-02 3.8613e-02 6.4512e-03 1.2124e-02 -6.0000e+00 3.6790e-02 3.0339e-04 3.7584e-03 5.8916e-03 -6.0000e+00 2.1863e-02 -7.9073e-03 1.7714e-03 1.7725e-03 -6.0000e+00 9.3027e-03 1.0367e-03 3.0799e-04 1.2720e-04 1.9687e-05 -6.0000e+00 6.6382e-04 9.0082e-04 0.0000e+00 12 9 9 12 1 1 99.95 23.10 0.45 0.00090 0.00322 3 10 1 5 0 1165.640 26.41 20.00 23.10 21.48 24.7 1014.02 4212 6764 -2667 -5851 -11288 -4827 -6184 1389 1975 -3200 -5094 -887 -3386 -2823 4035 -352 762 917 3311 2432 2163 1913 991 2154 389 -355 -1806 1107 -1432 -163 2986 1743 817 -4808 -6111 -5260 -2395 -605 -1310 -147 -112 54 771 -302 -575 303 221 -535 -845 368 2516 899 1907 815 777 2004 -75 54 233 -32 927 2185 2245 1935 942 -1619 -2218 -912 1722 1141 1094 1121 622 954 -594 -2002 -1769 -2468 -2249 -2223 -2912 -2441 -2955 -2073 -183 1124 1479 1165 2001 1273 148 -844 -2003 -876 -40 -376 1107 1903 989 -197 -1702 -1940 -1126 -833 -2344 -1538 -911 -783 658 1097 2091 979 640 -359 87 -726 -847 175 871 981 1097 384 1390 611 923 -301 -519 605 111 -528 -339 -1868 -362 -128 -66 128 487 1262 621 -91 -635 -1612 678 1130 -485 -1018 -1890 -734 -1020 238 363 -633 -1026 -180 -790 -698 1044 -102 228 283 1034 789 711 629 335 755 146 -136 -681 384 -485 -54 1019 653 326 -2014 -2481 -2127 -1043 -286 -735 -92 -71 36 512 -204 -389 202 144 -341 -532 232 1639 634 1403 629 614 1595 -58 43 186 -26 727 1822 2006 1796 858 -1398 -1796 -730 1463 1083 1052 1107 610 941 -549 -1689 -1448 -1991 -1934 -2013 -2954 -2526 -3258 -2266 -209 1355 1865 1424 2516 1538 166 -919 -2051 -885 -43 -446 1350 2368 1284 -251 -2150 -2285 -1296 -1004 -3069 -2003 -1230 -1103 918 1609 3137 1472 917 -504 112 -956 -1130 232 1221 1444 1636 567 1961 832 1255 -393 -657 775 152 -737 -489 -2785 -547 -192 -104 210 783 2037 1007 -144 -1026 -2546 SS 20240516T132952.0Z 8902.562407 221 1 49.18 2 47.58 101.74 124.00 27.37 0.00 1 0.00 1 0 25 1.934e-02 1.180e-02 1.009e-02 3.215e-03 2.294555e-01 1.695252e-03 2.752316e-03 -6.000000e+00 1.169311e-02 231.23 -2.00 3.51 -2.00 317.54 0.00e+00 1.502576e-03 2.533443e-04 4.496469e-04 -6.000000e+00 5.096644e-04 283.72 -2.00 20.00 -2.00 316.78 0.00e+00 1.480 0.000 302.00 328.00 3 5.3300e+00 4.5136e-03 1.9130e-02 -6.0000e+00 2.9277e-02 4.8379e-02 5.0564e-03 1.1846e-02 -6.0000e+00 3.1560e-02 8.2514e-04 3.0274e-03 5.8468e-03 -6.0000e+00 1.8755e-02 -1.0041e-02 1.4828e-03 1.7882e-03 -6.0000e+00 7.9783e-03 4.3148e-04 2.6331e-04 1.0088e-04 1.8955e-05 -6.0000e+00 5.6959e-04 2.5223e-03 0.0000e+00 12 8 8 10 0 0 99.99 23.12 0.39 0.00252 0.00450 46 11 1 5 0 1068.970 26.51 20.00 23.12 21.97 24.6 1016.58 3618 -1268 -647 -6354 452 -4191 -625 -4926 124 -4755 -4085 -2637 -4087 -347 745 424 -983 4109 2199 1637 903 -1291 2542 653 2984 61 1368 -1589 -3615 -653 1605 1007 164 -5640 -6664 -2820 -3615 -1662 -1064 -974 -469 -1129 48 -222 2231 426 21 -1601 -761 354 861 2212 2117 1692 843 1984 190 292 -875 142 1346 2371 2941 2004 671 -1082 -1750 -1023 1539 1479 797 1512 937 1718 -422 -1570 -2814 -3239 -2304 -3044 -2077 -2720 -2824 -1594 -164 179 1406 1176 1719 1281 457 -1133 -2037 -367 -793 25 866 1651 515 -556 -1505 -2173 -547 -464 -1674 -2014 -841 -494 912 1230 1450 834 629 -430 -608 -23 -359 -24 615 546 746 507 1515 938 514 -779 -789 581 -243 -343 -1019 -979 -496 513 51 281 508 863 358 -130 -180 -1510 386 -151 -76 -730 47 -446 -69 -631 16 -669 -570 -380 -671 -63 149 92 -224 920 519 400 225 -327 630 173 809 17 371 -420 -927 -161 411 281 48 -1756 -2004 -820 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