File name: Pandora177s1_WestportCT_20231118_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T152504.5Z 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_20231118_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: 20231118 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 20231118T151335.8Z 8722.634442 151 1 48.78 2 63.51 157.55 109.23 107.13 0.00 1 0.00 1 0 17 2.088e-02 1.080e-02 2.049e-03 4.570e-04 2.815392e-01 2.333363e-04 3.406189e-03 -6.000000e+00 1.225457e-02 223.16 -2.00 3.51 -2.00 318.08 0.00e+00 1.629320e-03 4.183471e-05 6.135567e-04 -6.000000e+00 5.416166e-04 280.02 -2.00 20.00 -2.00 317.41 0.00e+00 2.229 0.000 302.00 328.00 3 1.4087e+00 6.1874e-04 2.6322e-02 -6.0000e+00 3.0148e-02 1.8410e-02 7.0102e-04 1.4196e-02 -6.0000e+00 3.2698e-02 9.0515e-04 4.5210e-04 7.2472e-03 -6.0000e+00 1.9514e-02 -7.1984e-03 2.3398e-04 2.3160e-03 -6.0000e+00 8.4215e-03 9.9359e-03 -1.7376e-04 1.4201e-05 2.5676e-05 -6.0000e+00 6.1335e-04 -2.9310e-03 0.0000e+00 12 8 8 10 0 0 99.96 23.07 0.33 -0.00293 -0.00424 795 183 1 5 0 61.340 26.41 20.02 23.07 13.55 22.4 943.87 936 1108 -1702 -3611 -7653 -6135 -5363 -3299 -3882 -6983 -7438 -5753 -3256 -1343 275 -731 356 1381 1378 2653 836 1079 934 1658 809 -362 -1885 -2115 -1493 -1170 1712 1419 1353 -3860 -5827 -5030 -3925 -1065 -424 -629 -829 -87 105 195 797 587 63 -304 -720 213 1303 1176 1414 1106 585 1151 213 -341 -556 289 1312 2616 2854 2423 81 -1231 -1251 -702 2020 1446 1094 1332 1073 1016 -185 -1374 -2379 -2816 -1756 -1978 -2353 -2376 -2875 -1746 -452 267 1374 1292 1649 1278 603 -781 -1608 -726 -530 -271 644 1359 486 -441 -1491 -1997 -882 -380 -1706 -1970 -1002 -884 780 1336 1366 817 509 -174 -516 -376 122 195 914 373 643 784 1158 724 886 -598 -572 559 -27 -382 -965 -1286 -506 -36 225 115 668 826 550 -111 -464 -1464 66 85 -134 -271 -547 -419 -389 -263 -339 -649 -702 -567 -357 -168 39 -113 58 231 240 472 153 198 175 325 169 -78 -404 -433 -292 -229 350 320 326 -982 -1452 -1247 -1064 -333 -156 -264 -378 -41 51 96 389 286 30 -145 -341 102 657 637 810 663 363 726 137 -219 -352 183 857 1824 1953 1743 59 -844 -885 -496 1517 1106 903 1129 901 814 -138 -1033 -1662 -1945 -1289 -1640 -1993 -2199 -2846 -1807 -493 308 1649 1581 1984 1476 649 -778 -1509 -678 -530 -300 784 1788 671 -600 -1902 -2369 -1011 -453 -2207 -2704 -1425 -1315 1113 2017 2147 1291 772 -269 -743 -519 169 285 1413 557 969 1158 1798 1084 1265 -823 -764 758 -39 -601 -1594 -1999 -805 -60 394 209 1244 1557 1036 -204 -827 -2544 SS 20231118T152517.6Z 8722.642565 160 1 4.21 2 62.72 160.51 107.21 108.75 0.00 1 0.00 1 0 25 2.155e-02 1.196e-02 8.060e-03 2.752e-03 2.736948e-01 1.421622e-03 3.306921e-03 -6.000000e+00 1.264579e-02 223.15 -2.00 3.51 -2.00 317.07 0.00e+00 1.046179e-03 1.952294e-04 3.637794e-04 -6.000000e+00 5.588763e-04 280.02 -2.00 20.00 -2.00 316.42 0.00e+00 2.170 0.000 302.00 328.00 3 3.0762e+00 3.6956e-03 2.5564e-02 -6.0000e+00 3.1110e-02 2.5651e-02 4.1443e-03 1.3681e-02 -6.0000e+00 3.3741e-02 5.6113e-03 2.4993e-03 6.8378e-03 -6.0000e+00 2.0136e-02 -6.9340e-03 1.2387e-03 2.0333e-03 -6.0000e+00 8.6908e-03 2.0007e-03 -1.9067e-04 8.3670e-05 2.3511e-05 -6.0000e+00 6.3289e-04 -3.2703e-03 0.0000e+00 12 9 9 12 1 1 99.36 23.08 0.24 -0.00327 -0.00470 7 21 1 5 0 525.530 26.41 20.00 23.08 13.82 22.2 943.92 3490 -127 2992 -3371 -7442 -1486 -9205 -2009 -6411 -7196 -6493 -4090 140 1197 1464 -1561 -135 1727 1141 2463 2008 3203 1107 3059 740 979 -1445 -1289 57 1122 1823 1200 187 -4555 -5082 -5101 -3470 -473 -803 -844 -1222 219 210 561 1205 935 -683 -375 -1244 149 1324 1623 1754 1024 214 971 221 -225 -445 374 1106 2431 2228 2380 -453 -971 -1518 -948 2118 1096 1148 1515 1749 1057 151 -1872 -2380 -3436 -1805 -2002 -2552 -2371 -3114 -1774 -342 428 1160 1324 2009 1378 658 -1038 -2042 -226 -624 -223 730 1396 637 -316 -1535 -1705 -805 -525 -1561 -1888 -991 -966 902 1290 1507 785 558 -24 -411 -350 161 312 1125 607 711 666 1079 685 643 -648 -402 423 240 -688 -893 -1411 -638 -127 151 97 876 944 542 4 -757 -1348 392 -16 364 -408 -859 -157 -1124 -257 -936 -1091 -987 -642 24 221 306 -366 -33 429 297 652 542 855 309 883 231 312 -460 -390 16 317 548 398 63 -1612 -1737 -1851 -1294 -203 -389 -464 -695 129 126 339 724 561 -409 -220 -729 88 818 1071 1167 715 155 715 166 -167 -328 275 841 1881 1866 2080 -383 -804 -1183 -738 1744 972 1094 1480 1684 979 136 -1554 -1910 -2736 -1516 -1809 -2482 -2407 -3389 -1933 -392 499 1411 1638 2437 1609 745 -1135 -2103 -229 -680 -257 889 1771 847 -414 -1959 -2018 -961 -628 -2020 -2496 -1358 -1336 1300 1900 2304 1207 822 -34 -566 -461 213 434 1596 908 1076 989 1543 980 877 -883 -529 566 332 -993 -1345 -2110 -975 -202 245 165 1460 1593 915 7 -1254 -2168 SS 20231118T153430.6Z 8722.648966 163 1 19.30 2 62.18 162.89 105.63 110.03 0.00 1 0.00 1 0 17 1.854e-02 1.099e-02 4.010e-03 1.185e-03 2.721947e-01 6.120403e-04 3.302729e-03 -6.000000e+00 1.088120e-02 223.15 -2.00 3.51 -2.00 317.44 0.00e+00 1.409182e-03 9.201038e-05 4.305054e-04 -6.000000e+00 4.808992e-04 280.02 -2.00 20.00 -2.00 316.78 0.00e+00 2.132 0.000 302.00 328.00 3 2.8517e+00 1.5995e-03 2.5223e-02 -6.0000e+00 2.6769e-02 3.3162e-02 1.7964e-03 1.3641e-02 -6.0000e+00 2.9033e-02 -1.3123e-03 1.1013e-03 6.8674e-03 -6.0000e+00 1.7327e-02 -5.8894e-03 5.5602e-04 2.1298e-03 -6.0000e+00 7.4779e-03 2.6002e-03 -2.1547e-04 3.6520e-05 2.3749e-05 -6.0000e+00 5.4459e-04 -3.1435e-03 0.0000e+00 12 9 9 12 1 1 99.82 23.08 0.37 -0.00314 -0.00476 53 32 1 5 0 357.200 26.51 19.99 23.08 14.16 22.2 946.43 2021 205 -1874 -4456 -4251 -4110 -4314 -1158 -2750 -5869 -7063 -4868 -4030 -348 -23 -417 404 1790 2645 2441 1697 452 1416 887 1447 319 -1251 -1588 -1043 -561 1801 1606 560 -3961 -5456 -4316 -3235 -965 -170 -710 -975 -249 268 75 1009 524 -165 -204 -637 235 1103 1040 1294 1252 521 1429 590 -406 -362 181 1166 2148 3097 2161 20 -1206 -1073 -644 1953 1286 757 1485 1084 993 -21 -1364 -2353 -2915 -1848 -2092 -2189 -2566 -2871 -1590 -491 335 1254 1228 1515 1101 510 -903 -1657 -568 -466 -254 666 1329 432 -450 -1327 -2062 -807 -269 -1585 -1844 -1002 -771 795 1321 1291 955 652 -175 -317 -411 -32 322 834 306 651 630 1336 764 853 -523 -607 458 -132 -426 -843 -1194 -455 -58 335 200 706 879 479 -97 -692 -1533 195 22 -203 -462 -402 -376 -423 -124 -325 -735 -903 -644 -600 -58 -4 -86 87 396 602 575 408 110 348 231 396 90 -350 -424 -266 -142 477 467 175 -1300 -1745 -1367 -1119 -352 -73 -347 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