File name: Pandora64s1_NewHavenCT_20241205_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20241206T051955.7Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20241205_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: 20241205 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 20241205T150338.3Z 9105.627527 140 1 15.82 2 67.77 155.33 99.88 112.72 0.00 1 0.00 1 0 25 7.164e-02 1.099e-02 4.667e-02 5.454e-03 3.992203e-01 2.865376e-03 4.842763e-03 -6.000000e+00 4.249616e-02 222.85 -2.00 3.52 -2.00 318.74 0.00e+00 1.250316e-03 6.312442e-04 5.840388e-04 -6.000000e+00 1.871958e-03 277.89 -2.00 20.00 -2.00 318.14 0.00e+00 2.621 0.000 302.00 328.00 3 5.0044e+00 7.7299e-03 3.3153e-02 -6.0000e+00 1.0455e-01 5.4865e-02 8.8462e-03 2.0437e-02 -6.0000e+00 1.1353e-01 -1.7257e-02 6.2836e-03 1.0375e-02 -6.0000e+00 6.7687e-02 -9.5429e-04 3.3103e-03 3.0983e-03 -6.0000e+00 2.8927e-02 1.5346e-04 -1.4264e-03 1.6866e-04 3.8414e-05 -6.0000e+00 2.1274e-03 -4.0095e-03 -1.6264e-04 12 9 9 12 1 1 99.99 21.20 -0.18 -0.00401 -0.01473 7 6 1 5 0 1976.230 25.68 20.01 21.20 9.89 37.9 950.43 -19985 2868 -15494 4671 -6704 57499 -22248 23023 -10879 8260 -16279 17768 -13500 5992 -3337 2655 -6365 8713 -8392 3939 -3184 10156 1346 6831 -2794 -2426 -2102 2483 -7024 -10493 7 -527 5722 1128 -6043 -2539 -3246 880 2070 -1318 195 -1940 3140 -5735 208 -32 2640 -2841 349 -5702 3217 1706 3309 182 1087 -1516 1904 258 1288 -403 1358 489 1865 530 3402 -1914 2184 -1437 1069 1070 2181 -51 1316 -115 999 -1651 2206 -2456 -810 -1239 -932 -677 -1501 -1918 -785 -648 578 331 1006 1187 -213 61 -1337 -1641 -61 847 -25 1387 688 -589 -1067 -2044 -3058 519 -269 -1077 -728 307 -911 898 1292 658 -385 391 -536 326 110 -102 702 774 -713 297 479 707 986 1344 -2136 839 902 377 132 -270 -1364 -209 786 -87 -329 232 278 -282 250 -1022 -862 106 -705 160 -240 1242 -1032 807 -556 366 -943 824 -964 439 -297 247 -689 871 -1038 450 -394 1103 169 864 -408 -365 -311 334 -1020 -1668 1 -93 1046 216 -1182 -505 -696 214 593 -447 67 -712 1134 -2273 79 -12 969 -1110 134 -2429 1364 790 1605 96 561 -826 1016 138 703 -216 751 298 1217 356 2282 -1276 1377 -955 769 823 1759 -43 1065 -90 736 -1132 1379 -1621 -583 -975 -819 -629 -1490 -1939 -843 -734 674 377 1166 1298 -219 61 -1288 -1636 -63 970 -31 1789 919 -768 -1358 -2419 -3679 636 -342 -1435 -986 434 -1350 1406 2049 1051 -621 587 -789 460 160 -154 1079 1227 -1139 457 717 1041 1392 1886 -3018 1169 1367 594 221 -452 -2391 -368 1457 -163 -627 446 528 -534 455 -1811 SS 20241205T152619.5Z 9105.643281 150 1 47.59 2 66.18 160.76 96.11 116.07 0.00 1 0.00 1 0 17 6.239e-02 9.294e-03 2.640e-02 2.921e-03 3.738183e-01 1.532210e-03 4.431108e-03 -6.000000e+00 3.709225e-02 222.85 -2.00 3.52 -2.00 319.11 0.00e+00 2.101480e-03 3.728028e-04 2.858989e-04 -6.000000e+00 1.631688e-03 277.89 -2.00 20.00 -2.00 318.51 0.00e+00 2.458 0.000 302.00 328.00 3 3.8804e+00 4.1960e-03 3.0985e-02 -6.0000e+00 9.1256e-02 -9.9416e-03 4.8514e-03 1.9020e-02 -6.0000e+00 9.9016e-02 3.5806e-02 3.5755e-03 9.8866e-03 -6.0000e+00 5.9032e-02 -2.2145e-02 1.8778e-03 3.8609e-03 -6.0000e+00 2.5288e-02 5.8078e-04 1.3359e-03 9.3167e-05 4.2637e-05 -6.0000e+00 1.8502e-03 -8.0342e-03 3.2559e-04 11 8 0 10 0 0 100.00 21.21 -0.10 -0.00803 0.00200 275 66 2 5 0 173.040 25.68 19.99 21.21 9.86 38.1 951.11 -46 -4069 1419 48 -63931 -9912 11233 -8434 8049 -7307 -8407 -7988 2988 -1117 2640 4497 5239 1649 4363 3859 5494 4966 7403 -128 2153 751 -1696 1800 3453 -4658 5947 1744 7196 2878 847 -2622 306 -526 1120 -1391 -1540 -2204 -900 -2033 -700 760 -699 -41 -14 -809 1148 -12355 1421 1118 728 584 945 759 219 968 234 1447 1703 2261 1609 -436 958 85 1531 1858 222 628 7 715 125 -136 971 -1135 -362 566 -1398 -274 -2244 -2134 -754 -536 257 58 964 697 209 505 -700 253 1007 583 2 1175 512 -122 -656 -1248 -2078 405 238 -1810 -662 -515 -364 303 679 155 181 57 -175 -547 613 -380 409 297 -76 -470 622 -26 1010 522 -762 656 1081 104 553 -484 -834 -545 465 21 -250 408 302 -385 167 -589 -1 -141 48 2 -3338 -329 327 -335 298 -332 -393 -418 167 -72 191 356 438 153 413 385 546 497 762 -15 260 95 -218 213 396 -611 784 262 1131 475 135 -456 55 -112 279 -406 -486 -735 -308 -708 -243 262 -243 -14 -5 -299 425 -5631 600 503 337 278 455 362 103 460 118 787 1003 1407 988 -257 547 49 976 1320 171 491 6 517 83 -82 551 -661 -231 408 -1148 -233 -2052 -2062 -773 -579 287 66 1071 735 204 460 -649 239 979 634 3 1551 698 -161 -817 -1442 -2351 474 297 -2405 -921 -714 -540 479 1123 256 288 86 -259 -787 893 -553 629 473 -121 -731 930 -39 1453 725 -1042 933 1662 163 914 -833 -1493 -1023 918 44 -497 819 599 -778 323 -1112 SS 20241205T153122.7Z 9105.646791 153 1 46.05 2 65.88 161.99 95.28 116.83 0.00 1 0.00 1 0 17 1.692e-02 7.337e-03 1.675e-03 3.294e-04 3.669864e-01 1.725092e-04 4.430474e-03 -6.000000e+00 1.004411e-02 222.85 -2.00 3.52 -2.00 317.97 0.00e+00 5.906646e-04 3.050052e-05 1.885693e-04 -6.000000e+00 4.422773e-04 277.89 -2.00 20.00 -2.00 317.36 0.00e+00 2.430 0.000 302.00 328.00 3 1.1746e+00 4.5599e-04 3.0529e-02 -6.0000e+00 2.4710e-02 -8.3604e-04 5.1579e-04 1.8547e-02 -6.0000e+00 2.6825e-02 9.8871e-05 3.3612e-04 9.3293e-03 -6.0000e+00 1.5993e-02 -6.1664e-03 1.7351e-04 2.7614e-03 -6.0000e+00 6.8415e-03 9.1508e-03 -1.8051e-04 1.0134e-05 3.2543e-05 -6.0000e+00 5.0236e-04 -5.8067e-03 1.0363e-05 11 9 0 11 8 0 99.99 21.21 0.20 -0.00581 -0.00716 872 210 1 5 0 52.800 25.68 20.01 21.21 10.08 38.1 952.61 -1684 -3260 -1775 -5528 -10332 -6031 -3807 -2143 -1181 -2654 -5369 -3501 -866 -1225 958 54 -1115 589 214 1167 931 -1027 746 272 248 425 -36 -2020 -1137 -617 1575 -491 1948 -756 -4807 -3132 -2092 -1498 236 33 -795 -941 -60 -647 -106 139 -418 131 -383 -169 1257 631 799 1484 394 960 1142 551 83 408 666 1515 1465 2503 831 -1063 -101 -1270 646 1604 333 541 -219 475 18 -830 -814 -1853 -722 -373 -1284 -711 -1996 -2032 -596 -438 92 280 891 545 353 536 -551 118 805 432 -129 1060 566 -453 -470 -1564 -1849 82 316 -1419 -384 -758 -207 356 803 322 231 135 -134 -151 518 -207 573 286 -138 -344 641 76 905 809 -874 508 1012 336 529 -511 -627 -399 453 -120 -480 351 244 -412 59 -662 -98 -207 -113 -337 -615 -351 -236 -147 -88 -211 -447 -319 -90 -137 122 8 -169 94 36 201 162 -183 138 54 52 91 -8 -415 -226 -128 354 -123 482 -192 -1207 -814 -607 -510 87 14 -367 -455 -30 -323 -53 70 -208 65 -193 -89 658 357 479 937 242 603 726 348 52 257 440 1080 1066 1909 629 -770 -76 -976 508 1396 294 488 -194 397 15 -619 -609 -1406 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