File name: Pandora64s1_NewHavenCT_20240111_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240113T135716.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240111_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20240111 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20240111T140157.6Z 8776.584695 102 1 48.26 2 75.33 137.86 81.37 138.85 0.00 1 0.00 1 0 25 3.033e-01 1.200e-02 1.226e-01 2.294e-03 6.158169e-01 1.247909e-03 7.130044e-03 -6.000000e+00 1.804372e-01 223.59 -2.00 3.52 -2.00 320.47 0.00e+00 4.113232e-03 4.687589e-04 9.927324e-04 -6.000000e+00 7.841510e-03 275.24 -2.00 20.00 -2.00 319.98 0.00e+00 3.869 0.001 302.00 328.00 3 2.8435e+00 3.7331e-03 4.9999e-02 -6.0000e+00 4.4502e-01 7.2589e-02 4.7198e-03 3.2118e-02 -6.0000e+00 4.8321e-01 -3.8559e-02 4.5699e-03 1.8087e-02 -6.0000e+00 2.8748e-01 9.8565e-03 2.3004e-03 7.5280e-03 -6.0000e+00 1.2239e-01 3.0760e-04 -5.8816e-04 6.8210e-05 8.9469e-05 -6.0000e+00 9.0082e-03 -1.1459e-03 2.8047e-07 12 8 8 10 0 0 99.96 21.45 0.05 -0.00115 -0.00557 162 39 1 5 0 297.890 25.90 19.99 21.45 13.19 37.2 970.55 -119906 100793 -85225 -38026 -231820 24962 -104403 -20651 -86205 35872 -84047 6702 -51846 10277 -40154 20382 -29001 13943 -17994 24291 -13096 27058 2643 12912 -8050 -3826 -11001 -9126 -14609 -17825 4135 10161 5429 4290 3656 -5711 4983 287 5058 -1497 5688 -1163 6076 -2731 6515 1155 8342 3822 6486 -2743 7575 1020 7019 1362 3530 -53 1743 -1115 2816 -452 3014 319 3801 2581 3481 -1073 2189 -824 2344 1216 1288 300 148 -306 -361 -2427 226 -2022 -766 -379 -1447 -2007 -2335 -2435 -802 -1053 -120 545 1009 1102 -19 157 -1773 -117 68 100 -655 1519 736 35 -570 -1019 -3000 596 -117 -1150 -772 -7 -558 777 823 463 6 249 -462 -230 173 -109 610 733 -319 -40 774 469 994 399 -1463 699 916 134 253 -702 -769 -324 504 -258 -358 552 554 -321 119 -833 -1671 225 -997 -284 -9127 98 -1509 -158 -1305 187 -1446 61 -1008 136 -1014 354 -853 319 -561 564 -416 629 78 371 -302 -144 -448 -359 -628 -897 200 533 341 278 230 -420 375 25 513 -188 728 -170 867 -433 967 186 1283 643 1048 -527 1471 233 1637 362 956 -15 506 -328 781 -131 900 109 1324 998 1347 -424 853 -346 1077 635 713 171 81 -158 -170 -1067 94 -907 -391 -225 -936 -1466 -1829 -2024 -703 -922 -108 492 893 973 -16 124 -1411 -98 64 103 -767 1847 934 43 -692 -1127 -3227 649 -136 -1412 -958 -10 -817 1179 1344 773 9 391 -694 -353 259 -170 994 1209 -519 -62 1221 709 1447 565 -2088 1061 1478 239 465 -1363 -1571 -669 1097 -582 -819 1264 1243 -689 254 -1703 SS 20240111T140612.4Z 8776.587643 105 1 7.17 2 74.80 138.72 80.86 139.62 0.00 1 0.00 1 0 25 2.171e-01 1.074e-02 9.556e-02 4.090e-03 5.965837e-01 2.191960e-03 6.949653e-03 -6.000000e+00 1.291252e-01 223.59 -2.00 3.52 -2.00 319.90 0.00e+00 3.064108e-03 7.003775e-04 3.835656e-04 -6.000000e+00 5.611603e-03 275.24 -2.00 20.00 -2.00 319.39 0.00e+00 3.742 0.001 302.00 328.00 3 2.5544e+00 6.2460e-03 4.8268e-02 -6.0000e+00 3.1846e-01 8.6629e-02 7.5607e-03 3.0873e-02 -6.0000e+00 3.4581e-01 -6.1267e-02 6.7954e-03 1.6240e-02 -6.0000e+00 2.0573e-01 1.9122e-02 3.5200e-03 6.2583e-03 -6.0000e+00 8.7585e-02 4.7429e-04 -5.9588e-04 1.1912e-04 6.8991e-05 -6.0000e+00 6.4469e-03 -1.9769e-03 -4.7960e-05 12 9 9 12 1 1 97.78 21.45 0.02 -0.00198 -0.00645 10 18 1 5 0 651.280 25.90 19.99 21.45 13.22 37.2 971.11 -45412 -81481 18478 -106596 -160230 -49933 -36654 -65698 -19445 -50254 -28506 -15851 -32700 -38912 -14207 -14737 -13782 6258 -9275 7807 -1285 3692 -4054 -2244 -18327 382 -13077 1343 -16683 -10370 -13043 7025 -3461 14468 -11654 5300 -8875 10908 -1443 5110 -4571 2286 1539 4517 -699 5563 1288 4551 -1767 771 2441 4984 1251 2251 1729 1687 740 2227 1034 272 -133 183 3263 3903 2278 -1670 -783 -42 2154 693 1440 -2 -60 -184 -54 -2650 -782 -3978 -910 -1512 -1060 -2339 -1252 -2485 -587 -1403 1252 53 1788 -408 1651 -116 -1030 -469 413 141 537 984 1070 -340 -201 -1785 -1678 12 419 -1128 -207 -553 101 225 846 275 388 418 -546 -692 649 -488 492 495 -431 -126 249 660 783 1043 -1691 522 858 682 57 -444 -1231 -108 513 -225 -454 610 351 63 -246 -627 -501 -1434 134 -2244 -5467 -621 -466 -1187 -262 -931 -455 -268 -828 -1241 -434 -526 -537 220 -405 303 -55 153 -195 -114 -1100 21 -780 71 -1033 -677 -1038 522 -325 1154 -1162 474 -1041 1255 -216 827 -890 442 314 906 -151 1155 285 1015 -419 193 669 1461 394 756 606 613 275 804 370 99 -52 79 1458 1892 1129 -837 -395 -22 1190 436 954 -1 -40 -114 -30 -1460 -411 -2262 -552 -1030 -820 -1976 -1075 -2289 -569 -1390 1255 54 1770 -405 1497 -102 -931 -432 411 155 644 1266 1425 -443 -251 -2127 -1909 15 505 -1436 -270 -751 145 345 1385 448 637 654 -842 -1043 990 -761 800 816 -701 -197 389 978 1157 1483 -2442 775 1375 1164 102 -818 -2337 -215 1050 -465 -954 1283 725 127 -485 -1219 SS 20240111T141123.4Z 8776.591243 108 1 21.62 2 74.16 139.78 80.26 140.56 0.00 1 0.00 1 0 25 1.505e-01 9.594e-03 7.656e-02 3.336e-03 5.777717e-01 1.782254e-03 6.781025e-03 -6.000000e+00 8.950753e-02 223.59 -2.00 3.52 -2.00 319.80 0.00e+00 1.916267e-03 5.522195e-04 1.046771e-03 -6.000000e+00 3.890024e-03 275.24 -2.00 20.00 -2.00 319.29 0.00e+00 3.601 0.001 302.00 328.00 3 3.3771e+00 5.0495e-03 4.6598e-02 -6.0000e+00 2.2075e-01 1.0250e-01 6.0698e-03 2.9884e-02 -6.0000e+00 2.3972e-01 -4.7299e-02 5.3887e-03 1.5797e-02 -6.0000e+00 1.4262e-01 8.5604e-03 2.8111e-03 5.1885e-03 -6.0000e+00 6.0708e-02 2.4045e-04 -7.5385e-04 9.7903e-05 6.3885e-05 -6.0000e+00 4.4692e-03 -1.6408e-03 -6.2515e-05 12 9 9 12 1 1 99.90 21.45 0.10 -0.00164 -0.00731 14 8 1 5 0 1441.180 25.90 19.99 21.45 13.25 37.2 971.00 -74314 -47184 -38503 -72434 -23828 -18105 -56306 -15268 -44219 28473 -72434 18377 -28309 -15861 -422 5827 -16286 -934 -12434 1405 -4477 27450 -6689 8071 -4721 -4496 -9254 -4513 -7437 -19625 -1145 4071 -1294 2521 -12369 -5195 -6568 -1163 1619 -621 -703 -945 597 -5050 2217 533 2106 -282 2 -4734 2640 1234 4102 356 1863 599 1920 -1228 2211 -819 1651 64 2719 2685 3581 -923 933 -1097 2013 1799 726 1150 1039 932 341 -2764 101 -1923 -1063 14 -1299 -2186 -1637 -2335 -206 -897 795 583 1503 676 -527 191 -1703 -368 233 446 -436 1374 647 -401 -620 -1694 -2766 274 -232 -1457 -587 286 -128 770 1069 253 86 71 -209 -314 349 32 639 610 -521 -91 817 585 1138 443 -1688 617 522 408 401 -963 -912 -399 315 233 -510 461 818 -20 -65 -994 -1209 -686 -538 -1256 -255 -191 -959 -196 -846 283 -1989 257 -747 -459 -13 191 -730 -39 -592 65 -222 1002 -350 417 -279 -277 -597 -270 -466 -1545 -88 338 -129 245 -1340 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