File name: Pandora75s1_EssexMD_20250113_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T144838.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250113_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250113 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20250113T171426.1Z 9144.718358 439 1 13.26 2 60.66 179.91 115.10 1.95 0.00 1 0.00 1 0 25 2.390e-02 9.833e-03 1.090e-02 4.081e-03 2.603398e-01 2.106201e-03 2.983392e-03 -6.000000e+00 1.413008e-02 223.86 -2.00 3.48 -2.00 316.91 0.00e+00 1.132360e-03 2.769801e-04 2.442616e-04 -6.000000e+00 6.200987e-04 276.79 -2.00 20.00 -2.00 316.29 0.00e+00 2.032 0.000 302.00 328.00 3 5.1703e+00 5.4844e-03 2.3808e-02 -6.0000e+00 3.4818e-02 1.8567e-02 6.1637e-03 1.2645e-02 -6.0000e+00 3.7888e-02 -3.9504e-03 3.6322e-03 6.2885e-03 -6.0000e+00 2.2584e-02 -4.1911e-03 1.7226e-03 2.0550e-03 -6.0000e+00 9.4373e-03 2.9252e-04 3.7443e-03 1.2979e-04 2.2886e-05 -6.0000e+00 7.3893e-04 8.1171e-04 6.3535e-04 12 9 9 12 41 1 97.35 23.06 0.57 0.00081 0.02895 3 3 1 5 0 3313.210 25.90 19.99 23.06 15.54 5.8 935.65 -15668 -3010 -1289 5700 -9056 -3961 2998 1284 878 -3213 -7295 -5564 1851 8695 -415 -1754 1056 -608 1596 1873 3560 1002 87 318 -1355 1348 -1903 159 -1129 -4181 687 -177 1740 -2550 -1701 -3380 -3642 -1223 1191 1099 -1148 1056 826 -710 -395 1685 1084 -1167 -846 -605 1493 -361 1431 2454 1447 1895 1155 -1329 -530 53 784 2856 2549 1688 1067 -996 596 -533 776 1541 547 1073 59 236 -20 -583 -1708 -1496 -2142 -1644 -2146 -2449 -2099 -1996 -789 -589 5 621 973 860 608 -195 -231 -1406 -914 313 138 660 483 7 -956 -2024 -382 -988 -1138 -1027 -734 290 1051 1113 1286 525 89 163 -597 372 281 183 269 438 877 318 792 448 436 301 -157 251 -195 -264 172 -671 72 145 33 117 278 795 -282 -254 -199 -976 -777 -2326 -435 -189 751 -1265 -498 362 172 130 -524 -1260 -974 331 1661 -99 -426 265 -162 433 523 996 288 26 98 -443 443 -647 51 -345 -1296 212 -59 613 -964 -618 -1233 -1428 -538 554 593 -698 611 495 -438 -243 1013 646 -696 -537 -386 902 -236 975 1739 1071 1425 887 -1043 -408 40 614 2172 2098 1478 938 -842 466 -414 628 1371 499 1017 57 217 -18 -490 -1429 -1200 -1804 -1421 -2083 -2448 -2239 -2248 -879 -698 6 742 1228 1045 688 -217 -239 -1442 -981 342 168 822 631 9 -1178 -2493 -445 -1192 -1469 -1318 -987 405 1451 1628 1961 810 133 227 -823 483 365 248 389 629 1277 461 1113 641 593 391 -211 340 -265 -381 244 -992 109 228 51 191 469 1357 -486 -427 -322 -1548 -1219 SS 20250113T180021.1Z 9144.750245 470 1 31.48 2 61.58 192.07 114.10 12.69 0.00 1 0.00 1 0 17 2.778e-02 9.889e-03 7.866e-03 2.695e-03 2.680213e-01 1.388007e-03 3.157137e-03 -6.000000e+00 1.637124e-02 223.86 -2.00 3.48 -2.00 317.14 0.00e+00 1.883880e-03 1.936042e-04 2.615341e-04 -6.000000e+00 7.195063e-04 276.79 -2.00 20.00 -2.00 316.52 0.00e+00 2.091 0.000 302.00 328.00 3 5.2686e+00 3.6230e-03 2.4627e-02 -6.0000e+00 4.0338e-02 2.7985e-02 4.0843e-03 1.3287e-02 -6.0000e+00 4.3948e-02 -3.4637e-03 2.4331e-03 6.6232e-03 -6.0000e+00 2.6191e-02 -5.6932e-03 1.1673e-03 2.2556e-03 -6.0000e+00 1.0908e-02 2.4532e-04 1.3014e-04 8.5407e-05 2.5511e-05 -6.0000e+00 8.5883e-04 8.8175e-03 2.9896e-05 12 9 9 12 1 1 99.78 23.17 0.74 0.00882 0.00980 8 2 1 5 0 3497.730 26.00 20.01 23.17 15.17 5.7 931.86 -20096 -2862 9567 -1654 -11745 -4580 -1872 606 -4878 -2788 -7475 440 -2568 4009 1534 -3671 -88 119 4210 -554 4467 3319 607 622 -1655 676 -491 -4498 -1474 4756 785 691 1346 -3289 -594 -3122 -3287 -3466 1960 -83 -287 666 1001 300 -373 498 -71 61 -746 892 297 -194 1753 2737 1374 1594 475 -962 -151 -284 1797 2610 2375 635 996 -938 -293 -1067 858 1760 -25 1726 231 843 -706 -1036 -2275 -1611 -1532 -2624 -1588 -1956 -1467 -1770 -993 -79 148 504 570 1161 304 123 -1068 -827 -1119 292 303 272 1077 -248 -1086 -1518 -493 -1456 -1357 -1356 -72 565 771 775 1265 771 314 -76 -444 37 -415 227 645 623 437 787 968 911 492 -42 -73 -729 705 -444 -63 -690 -93 234 -139 -10 405 501 -96 359 -681 -748 -851 -2784 -369 1124 -209 -1500 -518 -212 73 -681 -402 -1145 65 -432 726 326 -828 -20 29 1017 -145 1132 853 163 174 -494 203 -149 -1363 -412 1361 224 213 442 -1162 -198 -1056 -1197 -1454 920 -42 -160 389 601 185 -232 306 -43 36 -443 527 185 -129 1121 1820 958 1131 345 -706 -109 -205 1311 2021 1991 530 828 -807 -235 -850 709 1485 -23 1652 225 783 -620 -891 -1814 -1228 -1220 -2351 -1462 -1988 -1483 -1897 -1127 -94 175 609 688 1339 351 130 -1139 -862 -1150 326 375 346 1425 -328 -1365 -1902 -587 -1799 -1677 -1773 -98 753 1081 1153 1958 1140 476 -108 -624 49 -554 315 892 908 649 1154 1378 1322 681 -56 -94 -958 967 -617 -91 -1042 -143 374 -223 -17 693 872 -168 610 -1130 -1203 -1356 SS 20250113T181258.8Z 9144.759014 479 1 19.41 2 62.16 195.34 113.55 15.58 0.00 1 0.00 1 0 17 1.941e-02 8.458e-03 6.183e-03 2.292e-03 2.725993e-01 1.180915e-03 3.222186e-03 -6.000000e+00 1.143780e-02 223.86 -2.00 3.48 -2.00 316.93 0.00e+00 9.636391e-04 1.556603e-04 2.098425e-04 -6.000000e+00 5.026132e-04 276.79 -2.00 20.00 -2.00 316.31 0.00e+00 2.130 0.000 302.00 328.00 3 4.5396e+00 3.0741e-03 2.5084e-02 -6.0000e+00 2.8182e-02 1.5606e-02 3.4560e-03 1.3488e-02 -6.0000e+00 3.0703e-02 -4.6079e-03 2.0411e-03 6.7029e-03 -6.0000e+00 1.8298e-02 -4.4739e-03 9.7129e-04 1.9963e-03 -6.0000e+00 7.6220e-03 4.9100e-04 1.7994e-04 7.2797e-05 2.5165e-05 -6.0000e+00 5.9988e-04 8.0349e-03 5.2065e-05 12 9 1 12 9 1 99.59 23.20 0.57 0.00803 0.00939 10 5 1 5 0 1764.410 26.00 20.00 23.20 15.66 5.8 936.33 -13151 -4715 2702 -4269 -2959 -6409 -2520 995 -4537 -1620 -5539 -4813 -1889 -37 -211 -684 510 1207 1785 1134 3456 2785 958 1988 -292 1940 -2010 -2559 -790 1446 344 1296 -425 -1685 -2454 -1863 -3050 -986 346 239 -701 634 645 -98 -509 276 -77 -369 -77 691 566 1067 1395 2401 1228 907 903 84 -39 324 527 2315 2326 1583 154 -965 -813 -623 568 1122 44 994 496 52 45 -1077 -1575 -1461 -1583 -1496 -2032 -2278 -1773 -1469 -1018 -207 305 483 500 1066 369 -81 -692 -339 -794 112 502 562 481 -55 -937 -1517 -924 -819 -1175 -1167 -566 -35 677 1109 1459 677 610 -341 -342 332 -134 256 386 274 156 468 813 813 521 264 -89 -38 393 20 29 -663 -365 210 -47 -11 200 485 -55 69 -406 -657 -821 -1837 -668 367 -597 -374 -799 -313 131 -694 -255 -921 -824 -348 -8 -45 -164 128 316 483 319 970 789 282 606 -96 642 -691 -848 -244 431 109 439 -157 -649 -923 -689 -1229 -411 168 125 -406 383 402 -62 -326 175 -48 -228 -47 421 362 724 930 1667 893 676 682 64 -30 242 406 1874 1898 1374 135 -810 -641 -518 460 1003 41 948 475 49 41 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