File name: Pandora177s1_WestportCT_20240311_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T171759.3Z 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_20240311_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: 20240311 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 20240311T150750.1Z 8836.630441 174 1 4.86 2 51.66 142.12 56.51 120.54 0.00 1 0.00 1 0 17 2.969e-02 1.287e-02 2.228e-02 6.512e-03 2.839083e-01 3.392781e-03 3.375381e-03 -6.000000e+00 1.758504e-02 226.02 -2.00 3.51 -2.00 317.36 0.00e+00 2.073329e-03 4.923657e-04 2.462113e-04 -6.000000e+00 7.599555e-04 276.75 -2.00 20.00 -2.00 316.76 0.00e+00 1.609 0.000 302.00 328.00 3 4.9369e+00 8.9087e-03 2.1660e-02 -6.0000e+00 4.3588e-02 5.3437e-02 9.9832e-03 1.4370e-02 -6.0000e+00 4.7235e-02 5.9665e-03 6.1227e-03 7.2011e-03 -6.0000e+00 2.8070e-02 -1.3930e-02 3.0613e-03 2.5559e-03 -6.0000e+00 1.1985e-02 5.0996e-04 2.1439e-04 1.9924e-04 2.6350e-05 -6.0000e+00 8.7297e-04 7.4083e-03 0.0000e+00 12 9 9 12 1 1 999.00 23.10 0.51 0.00741 0.00902 2 7 1 5 0 1617.840 26.51 19.99 23.10 7.70 22.8 915.03 1777 -6389 3232 -12118 3437 475 -8787 -5555 -117 1129 -15259 1841 -1180 6583 -3521 4353 574 4738 4399 -162 5373 -3190 1880 2426 4583 -2084 -3824 -2627 -4291 4694 -230 5459 -2517 -2305 -6521 -7571 -6146 282 -800 -2938 -825 688 736 -1016 2036 -346 -973 247 -1232 334 1059 2314 1046 2946 191 1839 505 -457 1522 542 2623 1924 4048 3212 -1271 -1896 -1852 -916 1988 801 662 2841 -306 569 -503 -1900 -2098 -2095 -1399 -3084 -2083 -2555 -3437 -1264 187 -1264 1565 565 1734 1531 -327 -307 -2280 -299 193 -699 725 1871 590 -706 -588 -1948 -220 -623 -981 -918 -1554 -781 1138 1457 403 356 885 218 56 -391 230 -206 575 532 435 575 894 285 751 -272 -156 1016 -1331 637 -778 -1269 -754 -141 344 582 260 1033 215 221 -847 -1285 168 -703 321 -1308 312 43 -882 -604 -13 136 -2048 223 -169 1017 -684 849 123 1013 981 -39 1237 -799 458 618 1201 -593 -1078 -697 -1115 1129 -63 1544 -818 -744 -2109 -2496 -2224 114 -361 -1525 -452 388 424 -601 1171 -203 -565 139 -699 191 639 1476 672 1930 132 1276 357 -323 1038 376 1870 1494 3319 2762 -1055 -1557 -1430 -709 1638 700 620 2663 -291 509 -442 -1527 -1558 -1541 -1104 -2788 -1965 -2633 -3591 -1364 212 -1548 1951 686 2151 1811 -364 -328 -2327 -302 209 -802 908 2387 788 -926 -748 -2327 -254 -757 -1278 -1196 -2130 -1111 1687 2179 632 554 1306 315 75 -534 317 -285 841 813 670 865 1293 398 1045 -363 -203 1342 -1836 920 -1185 -1985 -1153 -225 575 1010 443 1761 368 384 -1428 -2104 SS 20240311T151232.8Z 8836.633713 178 1 48.80 2 51.12 143.46 55.75 121.57 0.00 1 0.00 1 0 17 2.058e-02 1.010e-02 6.411e-03 1.329e-03 2.812037e-01 6.902430e-04 3.402047e-03 -6.000000e+00 1.219049e-02 226.02 -2.00 3.51 -2.00 318.44 0.00e+00 1.754087e-03 1.312802e-04 6.526849e-04 -6.000000e+00 5.266785e-04 276.75 -2.00 20.00 -2.00 317.84 0.00e+00 1.590 0.000 302.00 328.00 3 3.0670e+00 1.8465e-03 2.1514e-02 -6.0000e+00 3.0217e-02 3.2900e-02 2.0927e-03 1.4288e-02 -6.0000e+00 3.2742e-02 6.5652e-03 1.3660e-03 7.3611e-03 -6.0000e+00 1.9457e-02 -1.2512e-02 7.0347e-04 2.4847e-03 -6.0000e+00 8.3104e-03 3.4206e-03 4.2637e-04 4.1775e-05 2.7735e-05 -6.0000e+00 6.0492e-04 5.3096e-03 0.0000e+00 12 8 8 10 0 0 99.99 23.10 0.53 0.00531 0.00851 1243 286 1 5 0 39.190 26.51 20.00 23.10 7.80 22.9 916.47 -4162 -513 -1842 -6589 -6173 -7109 -1577 -3989 -976 -7207 -5265 -6320 -2819 -643 926 -36 -523 2853 305 2419 -20 1066 697 1753 1711 -875 -673 -3740 -1181 -1025 1922 2062 781 -3948 -6089 -4495 -3489 -683 -1069 -654 -1093 -624 -275 -73 1017 512 772 -378 219 486 1542 1183 1626 1127 395 1235 -136 -130 -662 332 1512 2787 2872 1936 331 -1053 -814 -588 2179 1368 1061 1290 1123 1080 -490 -888 -2773 -2542 -1962 -1967 -2197 -2314 -2582 -1654 -62 242 1416 1095 1573 1299 371 -754 -1499 -533 -563 45 676 1392 259 -626 -1495 -1803 -596 -577 -1446 -1868 -859 -739 886 1171 1234 678 256 -146 -568 -189 -97 255 822 303 546 559 1196 499 750 -845 -586 494 -64 -376 -1064 -1147 -512 49 230 112 599 843 482 11 -474 -1299 -292 -37 -135 -471 -403 -457 -103 -300 -77 -621 -450 -584 -288 -75 120 -5 -79 434 49 396 -3 179 120 315 324 -173 -129 -704 -208 -182 358 421 171 -904 -1367 -1002 -858 -194 -360 -247 -449 -266 -119 -32 441 222 328 -159 91 207 689 568 821 595 216 683 -76 -73 -366 183 864 1701 1888 1336 227 -680 -542 -396 1419 998 831 1032 885 890 -377 -618 -1813 -1642 -1360 -1536 -1919 -2202 -2614 -1752 -69 260 1573 1239 1914 1510 402 -752 -1410 -501 -571 50 830 1839 358 -846 -1883 -2111 -678 -688 -1859 -2545 -1210 -1088 1363 1908 2084 1145 413 -219 -795 -253 -132 365 1242 481 872 873 1791 721 1030 -1120 -754 648 -90 -569 -1688 -1861 -851 85 420 213 1161 1647 940 21 -870 -2326 SS 20240311T153604.3Z 8836.650050 196 1 0.48 2 48.70 150.46 52.08 127.03 0.00 1 0.00 1 0 17 1.712e-02 1.151e-02 3.159e-03 1.501e-03 2.656222e-01 7.892106e-04 3.170784e-03 -6.000000e+00 1.014264e-02 226.02 -2.00 3.51 -2.00 316.27 0.00e+00 1.281976e-03 8.678992e-05 1.827231e-04 -6.000000e+00 4.382582e-04 276.75 -2.00 20.00 -2.00 315.69 0.00e+00 1.512 0.000 302.00 328.00 3 5.4644e-01 2.0379e-03 2.0255e-02 -6.0000e+00 2.5141e-02 1.9351e-02 2.2712e-03 1.3309e-02 -6.0000e+00 2.7242e-02 -2.7503e-03 1.3249e-03 6.5879e-03 -6.0000e+00 1.6189e-02 -3.9720e-03 6.2101e-04 2.0163e-03 -6.0000e+00 6.9136e-03 4.7595e-02 3.3823e-04 4.5412e-05 2.3348e-05 -6.0000e+00 5.0339e-04 6.1946e-03 0.0000e+00 12 9 9 12 1 1 9.50 23.09 0.33 0.00619 0.00874 16 399 1 5 0 28.070 26.51 19.97 23.09 8.23 23.0 919.34 1967 189 -130 -3987 -3869 -4066 -2190 -576 -1863 -4302 -7008 -3890 -1937 -463 323 -186 1488 2313 2580 2957 1213 712 1254 2366 2102 1047 -599 -1341 -1309 -457 1372 1488 569 -3603 -4749 -4414 -3513 -779 117 -782 -328 -107 65 354 1377 585 197 106 -906 76 912 1150 898 657 677 1509 56 -97 -286 286 1434 2190 2576 2094 -170 -1202 -1513 -495 1716 1168 842 1286 944 1326 -198 -1394 -2558 -3117 -2042 -2586 -2267 -2209 -2924 -1477 -257 429 1374 1012 1520 1041 411 -760 -1461 -354 -293 -237 725 1259 394 -520 -1456 -1835 -586 -163 -1652 -1595 -963 -768 743 1316 1498 808 637 -268 -359 -171 350 423 1024 370 676 1061 1245 654 873 -779 -504 455 -157 -182 -904 -1062 -337 48 321 66 701 502 343 -107 -492 -1616 351 37 -25 -741 -657 -675 -384 -112 -395 -956 -1612 -921 -468 -127 99 -57 473 758 874 1028 433 256 458 900 843 431 -244 -521 -487 -169 534 632 240 -1572 -2009 -1877 -1648 -394 69 -494 -222 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