File name: Pandora64s1_NewHavenCT_20240629_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240630T054706.5Z 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_20240629_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: 20240629 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 20240629T171155.6Z 8946.716616 459 1 47.84 2 18.47 192.16 82.75 273.49 0.00 1 0.00 1 0 17 2.787e-02 1.394e-02 4.634e-03 2.885e-03 1.668459e-01 1.581564e-03 2.005532e-03 -6.000000e+00 1.718705e-02 232.95 -2.00 3.52 -2.00 315.35 0.00e+00 1.493037e-03 1.466373e-04 3.048868e-05 -6.000000e+00 7.597694e-04 287.91 -2.00 20.00 -2.00 314.66 0.00e+00 1.054 0.000 302.00 328.00 3 6.7715e+00 4.1093e-03 1.3861e-02 -6.0000e+00 4.3154e-02 6.8733e-02 4.5384e-03 8.9150e-03 -6.0000e+00 4.6421e-02 -6.4500e-03 2.5919e-03 4.2240e-03 -6.0000e+00 2.7619e-02 -1.7985e-03 1.1423e-03 1.4514e-03 -6.0000e+00 1.1688e-02 1.7481e-04 1.9923e-04 8.9138e-05 1.5996e-05 -6.0000e+00 8.2952e-04 -6.4363e-03 1.2953e-04 12 8 8 10 0 0 99.83 21.60 -0.31 -0.00644 -0.00494 18 4 1 5 0 2657.500 26.00 20.01 21.60 30.31 40.0 1058.02 3668 854 2543 1851 -26411 692 1104 -435 4331 114 -2745 -1756 973 -1341 3535 1154 146 3506 1422 2851 3880 3055 3443 1154 402 -193 400 -1126 -103 -2724 1310 165 3395 -207 -3494 -6192 -2387 -1812 604 1097 -361 -1034 -190 -2417 -533 16 -974 -675 -337 -2105 1410 -682 1988 1138 791 119 1538 177 11 -293 624 2111 1476 2536 2033 -1709 -915 -984 607 1265 855 1180 -30 1007 -681 -1474 -1386 -3067 -2301 -549 -1546 -1527 -2021 -1408 -179 421 557 844 1494 947 -114 129 -3208 -760 -317 691 -625 1414 953 153 -298 -1966 -2774 -280 128 -1716 -133 1300 278 701 1535 848 417 258 -874 -1136 -250 -791 126 713 441 113 1082 246 973 238 -1414 436 760 -373 430 -1139 -662 -375 921 82 163 472 692 -521 -282 -1218 1049 259 753 496 -8486 168 282 -124 1259 35 -841 -558 333 -521 1442 483 63 1499 633 1288 1734 1357 1563 554 199 -98 195 -543 -46 -1254 606 80 1692 -104 -1698 -3206 -1254 -1096 398 805 -284 -842 -157 -2032 -438 13 -766 -513 -248 -1582 1076 -557 1641 984 692 102 1363 158 10 -262 551 1961 1456 2546 1948 -1546 -814 -863 544 1248 896 1262 -32 1016 -644 -1323 -1144 -2488 -1978 -514 -1526 -1635 -2175 -1587 -215 509 702 1077 1873 1174 -131 142 -3348 -769 -339 763 -761 1750 1205 195 -360 -2262 -3168 -333 162 -2205 -177 1764 398 1002 2230 1211 588 335 -1106 -1385 -308 -1024 167 985 617 156 1441 326 1223 287 -1734 516 944 -489 578 -1509 -891 -525 1348 120 245 719 1046 -773 -424 -1801 SS 20240629T171650.3Z 8946.720027 462 1 48.28 2 18.69 195.63 83.63 274.28 0.00 1 0.00 1 0 17 1.127e-02 8.726e-03 2.308e-03 1.584e-03 1.568473e-01 8.725749e-04 1.891990e-03 -6.000000e+00 6.950767e-03 232.95 -2.00 3.52 -2.00 314.92 0.00e+00 4.056335e-04 7.411531e-05 5.080389e-05 -6.000000e+00 3.072841e-04 287.91 -2.00 20.00 -2.00 314.27 0.00e+00 1.055 0.000 302.00 328.00 3 5.8376e+00 2.2559e-03 1.3485e-02 -6.0000e+00 1.7452e-02 4.3209e-02 2.4854e-03 8.2080e-03 -6.0000e+00 1.8775e-02 -1.6486e-03 1.4191e-03 3.9608e-03 -6.0000e+00 1.1170e-02 -3.1317e-03 6.1783e-04 1.0874e-03 -6.0000e+00 4.7265e-03 4.6067e-04 5.8733e-05 4.8625e-05 1.5592e-05 -6.0000e+00 3.3559e-04 -6.8297e-03 7.2775e-05 11 8 0 10 0 0 99.98 21.60 -0.01 -0.00683 -0.00639 33 8 1 5 0 1462.790 26.11 20.01 21.60 30.31 40.2 1058.03 605 -917 861 -2688 -4241 -1605 -1073 628 1618 19 -3288 -899 -170 -59 1178 246 -807 1210 657 1531 1731 432 1014 1299 -5 904 377 -1075 -715 -949 1833 448 2272 271 -4254 -1721 -1799 -1091 383 68 -716 -589 -256 -1198 -536 -90 -577 -591 -1293 -1000 953 1302 887 1089 366 1059 1248 257 244 391 524 1315 1025 2242 839 -1416 -661 -1454 668 1424 912 613 -116 392 305 -1219 -751 -2496 -829 -686 -1249 -1465 -2032 -1722 -120 -180 346 321 1153 552 222 174 -1273 -639 567 377 -47 1054 709 -491 -597 -1502 -1709 -68 179 -1507 -246 -196 -109 615 1003 554 356 94 -71 -340 171 -428 336 701 47 131 751 157 875 906 -990 831 778 86 493 -544 -899 -201 550 -12 -403 353 178 -517 -188 -852 209 -313 302 -877 -1273 -466 -330 209 574 7 -1203 -335 -65 -25 539 119 -399 605 337 801 904 226 542 682 -3 497 202 -568 -354 -466 911 233 1231 146 -2238 -917 -1011 -706 272 54 -579 -489 -216 -1016 -449 -74 -458 -477 -1018 -789 776 1052 748 953 325 950 1127 231 217 352 491 1246 1026 2279 820 -1346 -591 -1289 631 1412 961 635 -124 402 289 -1103 -653 -2131 -742 -646 -1235 -1574 -2197 -1957 -139 -221 440 399 1461 664 257 193 -1312 -651 605 419 -57 1312 901 -606 -726 -1728 -1943 -81 220 -1948 -316 -262 -152 852 1416 767 483 123 -86 -413 211 -531 446 936 64 176 1014 201 1112 1095 -1167 987 973 108 640 -720 -1220 -271 780 -16 -587 522 262 -745 -274 -1220 SS 20240629T172220.8Z 8946.723852 465 1 47.42 2 19.00 199.43 84.61 275.17 0.00 1 0.00 1 0 17 1.553e-02 1.218e-02 4.232e-03 2.710e-03 1.684255e-01 1.486786e-03 2.033722e-03 -6.000000e+00 9.578586e-03 232.95 -2.00 3.52 -2.00 315.24 0.00e+00 5.847216e-04 1.351087e-04 1.059922e-04 -6.000000e+00 4.234615e-04 287.91 -2.00 20.00 -2.00 314.57 0.00e+00 1.057 0.000 302.00 328.00 3 6.7365e+00 3.8547e-03 1.3894e-02 -6.0000e+00 2.4050e-02 6.1397e-02 4.2532e-03 8.7848e-03 -6.0000e+00 2.5873e-02 -3.2356e-03 2.4283e-03 4.2368e-03 -6.0000e+00 1.5393e-02 -3.1181e-03 1.0700e-03 1.1607e-03 -6.0000e+00 6.5132e-03 1.8090e-04 6.1379e-05 8.3199e-05 1.6540e-05 -6.0000e+00 4.6245e-04 -6.3419e-03 8.9419e-05 12 9 8 11 40 0 99.27 21.60 -0.50 -0.00634 -0.00588 12 3 1 5 0 3950.930 26.11 19.98 21.60 30.40 40.0 1058.86 1099 -786 706 -2374 -5734 -3261 -948 300 2859 696 -4580 -2017 753 -420 1795 199 -330 2009 335 1562 3086 1342 2424 1132 145 -270 -687 -1277 -1269 -3666 1082 -713 2842 -706 -4999 -1582 -2357 -1705 1165 773 45 -368 506 -1096 -227 -328 -418 -1219 -303 -2118 473 396 1324 1489 146 990 846 261 211 171 328 1786 1897 2858 1697 -1877 -963 -949 62 1676 922 1644 202 976 -370 -1751 -1364 -3317 -2635 -833 -2188 -2328 -1585 -1564 -174 320 1019 819 1548 1144 -498 125 -2322 -1826 -6 937 -268 1588 1791 -805 -807 -2075 -2803 108 70 -1691 -156 783 234 772 2127 1005 646 265 -716 -1753 59 -1216 720 243 797 165 775 481 559 530 -1604 262 686 -62 695 -1007 -483 -628 905 70 16 822 445 -571 -474 -1072 323 -242 212 -698 -1582 -872 -263 91 906 217 -1459 -656 263 -164 753 89 -151 925 160 759 1477 646 1189 555 74 -140 -347 -630 -590 -1732 509 -354 1445 -363 -2503 -795 -1327 -1051 780 582 36 -291 405 -886 -181 -271 -333 -947 -226 -1621 372 326 1123 1252 126 857 739 226 181 148 297 1700 1820 2794 1666 -1736 -836 -851 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