File name: Pandora177s1_WestportCT_20231112_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T033849.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20231112_L1_smca1c7d20230401p1-8.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: 20231112 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]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20231112T133328.7Z 8716.564916 106 1 14.29 2 72.64 134.11 66.96 142.17 0.00 1 0.00 1 0 25 1.338e-01 1.210e-02 1.048e-01 4.849e-03 4.421971e-01 2.543587e-03 5.598130e-03 -6.000000e+00 7.852043e-02 223.46 -2.00 3.51 -2.00 319.87 0.00e+00 3.052391e-03 8.070698e-04 2.735293e-03 -6.000000e+00 3.481338e-03 280.73 -2.00 20.00 -2.00 319.27 0.00e+00 3.303 0.001 302.00 328.00 3 3.5178e+00 7.3574e-03 4.1171e-02 -6.0000e+00 1.9324e-01 -2.8239e-02 8.8463e-03 2.6227e-02 -6.0000e+00 2.0961e-01 7.4676e-03 7.4775e-03 1.4199e-02 -6.0000e+00 1.2511e-01 -9.3499e-03 3.8797e-03 4.6001e-03 -6.0000e+00 5.3918e-02 3.4964e-04 8.7016e-05 1.5075e-04 7.0327e-05 -6.0000e+00 3.9317e-03 1.8953e-03 0.0000e+00 12 9 9 12 1 1 99.85 23.05 0.43 0.00190 0.00255 13 11 1 5 0 1020.540 26.41 19.97 23.05 5.88 21.5 889.29 -20831 -32770 77816 -38532 -46950 -39283 -55313 -2773 -50774 11546 -32478 24459 -39297 6495 -25290 10660 3935 -5331 -1785 -11360 10764 -13839 7209 -10481 -5718 -4476 -8910 -1146 -10104 -269 -9654 4724 -3771 -1372 -11383 -10370 -7327 -1956 1165 1263 4338 -4632 339 1078 -1234 1096 1489 4008 -2045 4095 1576 2956 1890 1075 1735 219 -471 -968 733 -697 2003 1821 3506 3821 574 -99 -1784 1623 2755 3353 -202 1347 1058 837 -808 -2308 -708 -3330 -1529 -3279 -1017 -2265 -3279 -1325 170 893 1143 2146 1766 1664 326 -1392 -3023 -1266 -959 -1170 931 776 1079 -625 -1711 -2649 -1245 -431 -2261 -1224 -1507 -194 931 1636 1510 823 406 -305 -662 -910 422 214 972 131 662 1251 1315 309 303 -271 -1058 926 -539 -730 -1379 -1087 -658 152 359 -179 1033 1066 834 -221 -560 -1237 -309 -609 491 -741 -918 -706 -1273 -43 -1392 178 -819 393 -1449 186 -1188 397 171 -274 -94 -688 533 -886 389 -724 -402 -320 -660 -77 -736 -19 -843 409 -390 -141 -1260 -1157 -891 -271 188 233 853 -1057 76 246 -292 257 350 930 -517 1028 441 893 622 377 629 83 -183 -374 274 -267 788 790 1653 1919 299 -50 -879 801 1495 2026 -128 858 663 530 -476 -1253 -357 -1756 -880 -2214 -716 -1782 -2798 -1177 159 882 1179 2227 1811 1631 301 -1212 -2569 -1095 -914 -1265 1045 959 1391 -799 -2039 -3106 -1399 -500 -2690 -1526 -1982 -267 1377 2609 2411 1341 644 -485 -993 -1326 617 331 1579 210 1113 2031 2061 471 444 -381 -1478 1335 -865 -1282 -2436 -1988 -1251 304 756 -373 2179 2269 1763 -456 -1164 -2488 SS 20231112T133726.3Z 8716.567666 109 1 1.82 2 72.11 134.93 66.53 143.07 0.00 1 0.00 1 0 25 2.097e-01 1.516e-02 1.578e-01 9.712e-03 4.356039e-01 5.053556e-03 5.318521e-03 -6.000000e+00 1.230597e-01 223.46 -2.00 3.51 -2.00 319.34 0.00e+00 7.667397e-04 1.368345e-03 1.832216e-03 -6.000000e+00 5.456415e-03 280.73 -2.00 20.00 -2.00 318.72 0.00e+00 3.211 0.001 302.00 328.00 3 3.0480e+00 1.4078e-02 3.9474e-02 -6.0000e+00 3.0286e-01 -2.7530e-02 1.6483e-02 2.3965e-02 -6.0000e+00 3.2851e-01 6.2413e-04 1.2933e-02 1.1895e-02 -6.0000e+00 1.9609e-01 -5.1196e-03 6.8232e-03 3.3646e-03 -6.0000e+00 8.4497e-02 6.2019e-04 7.4109e-04 2.9662e-04 4.4976e-05 -6.0000e+00 6.1625e-03 2.3606e-03 0.0000e+00 12 9 9 12 1 1 999.00 23.04 0.48 0.00236 0.00793 2 19 1 5 0 604.490 26.41 20.05 23.04 5.86 21.5 889.15 -82681 -38086 -42564 15700 177723 -19456 54486 -48495 -29957 -51241 -23287 -26453 -11384 30586 34962 8268 -13632 36271 -24201 12477 -21194 306 7366 -5674 15763 13841 5041 -19178 -212 -11105 -2301 -1751 -2546 6804 -13117 7878 -9175 -6629 -562 2863 734 3379 3829 -712 3301 -1785 7935 -2921 1989 490 1523 -812 3507 4978 -646 4088 -989 -705 -2572 13 880 4119 6162 4635 3225 -2821 -173 -3807 3348 -934 -293 1802 834 1255 -1631 -3053 -3159 -3247 -3101 -3946 -522 -1771 -1571 218 1169 102 1185 1395 1444 743 444 -824 -2939 -988 -2415 -279 1237 1651 286 -948 -1557 -2030 379 -1696 30 -2109 -603 -935 608 977 1320 888 1662 83 -1312 -1214 -1009 -217 977 1605 103 960 2237 546 608 -1180 -1850 1391 -310 147 -1040 -729 -1395 515 393 172 286 1743 311 -617 -559 -1226 -3132 -1082 -1285 251 1683 -415 613 -1751 -993 -2214 -799 -1049 -465 996 1283 445 -992 1717 -2220 827 -2007 24 558 -531 1278 1180 462 -2168 -20 -1203 -257 -222 -354 874 -2003 998 -1559 -1248 -120 676 194 920 1071 -211 951 -545 2206 -913 606 160 535 -319 1422 1988 -285 1776 -459 -323 -1180 6 414 2061 3326 2701 1905 -1687 -98 -2313 1999 -651 -218 1345 616 871 -1067 -1939 -1893 -1988 -1996 -2946 -427 -1538 -1461 212 1142 108 1290 1537 1562 771 451 -785 -2754 -942 -2458 -314 1471 2146 375 -1225 -1949 -2349 438 -1994 37 -2814 -797 -1319 915 1522 2164 1419 2654 127 -1987 -1784 -1508 -325 1532 2584 167 1506 3345 836 891 -1682 -2617 2007 -478 246 -1784 -1294 -2500 959 773 340 578 3498 627 -1212 -1084 -2301 SS 20231112T134125.6Z 8716.570435 112 1 48.82 2 71.58 135.76 66.11 143.98 0.00 1 0.00 1 0 25 7.306e-02 1.029e-02 9.145e-03 6.324e-04 4.191387e-01 3.292596e-04 5.157848e-03 -6.000000e+00 4.287547e-02 223.46 -2.00 3.51 -2.00 319.74 0.00e+00 3.195593e-03 9.835624e-05 2.109601e-03 -6.000000e+00 1.900910e-03 280.73 -2.00 20.00 -2.00 319.12 0.00e+00 3.125 0.001 302.00 328.00 3 9.2593e-01 9.3598e-04 3.8312e-02 -6.0000e+00 1.0552e-01 -2.4226e-02 1.1147e-03 2.3068e-02 -6.0000e+00 1.1445e-01 3.6066e-03 9.1744e-04 1.2925e-02 -6.0000e+00 6.8317e-02 -8.0940e-03 4.7955e-04 4.6325e-03 -6.0000e+00 2.9442e-02 5.6906e-03 2.3643e-04 1.9795e-05 5.9737e-05 -6.0000e+00 2.1468e-03 1.7269e-03 0.0000e+00 12 8 8 10 0 0 99.90 23.05 0.29 0.00173 0.00350 602 138 1 5 0 81.080 26.41 19.96 23.05 5.87 21.6 890.03 -22214 -10630 -24376 -18232 -30436 -26397 -27417 -18121 -20147 -26742 -20986 -22522 -13511 -11945 -3990 -4160 -2606 -910 -40 312 -3024 -1422 -3421 -1941 -3353 -4063 -6356 -6688 -5232 -5649 -1265 -1001 -197 -5490 -7450 -6932 -4531 -1434 -1063 -571 -1160 -86 40 632 1260 966 776 313 -18 485 1847 1461 2030 1505 1131 1560 249 -507 -834 120 1336 3212 3352 3184 568 -434 -753 -266 2187 1568 1429 1473 1060 867 -636 -1904 -3169 -3492 -2204 -2204 -2016 -2090 -2570 -1342 -63 614 1505 1340 1761 1141 414 -1109 -1748 -890 -763 -278 749 1438 366 -555 -1679 -2113 -803 -379 -1685 -1893 -1056 -663 1012 1292 1231 654 305 -367 -630 -401 81 356 839 348 672 918 1431 826 642 -1064 -646 466 -97 -482 -1071 -1280 -466 -104 115 24 729 852 605 -43 -421 -1217 -431 -204 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