File name: Pandora177s1_WestportCT_20240512_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20240811T152405.9Z 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: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20240512_L1_smca1c3d20221101p1-8.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: 20240512 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: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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 20240512T155050.6Z 8898.660308 263 1 48.50 2 26.01 146.63 64.32 76.18 0.00 1 0.00 1 0 17 1.846e-02 1.126e-02 8.955e-03 3.325e-03 2.211510e-01 1.782213e-03 2.643748e-03 -6.000000e+00 1.130681e-02 230.94 -2.00 3.51 -2.00 317.12 0.00e+00 1.115018e-03 2.399654e-04 3.863787e-04 -6.000000e+00 4.921130e-04 283.31 -2.00 20.00 -2.00 316.38 0.00e+00 1.112 0.000 302.00 328.00 3 5.7743e+00 4.7021e-03 1.6115e-02 -6.0000e+00 2.8282e-02 4.2409e-02 5.2468e-03 1.1288e-02 -6.0000e+00 3.0484e-02 -3.2966e-03 3.0947e-03 5.5445e-03 -6.0000e+00 1.8120e-02 -7.6218e-03 1.4756e-03 1.6114e-03 -6.0000e+00 7.6799e-03 4.0184e-04 7.2666e-04 1.0711e-04 1.9083e-05 -6.0000e+00 5.6262e-04 6.5620e-02 -1.3858e-04 12 9 8 11 8 0 97.50 22.85 0.46 0.06562 0.07108 18 4 1 5 0 2693.790 26.21 20.00 22.85 17.55 24.3 986.72 1919 1934 2334 2219 -3415 -5891 -4818 1939 -3632 -6541 66 -3433 -1040 -1616 1122 -1712 -24 2047 2278 2212 -1546 1963 2460 2599 433 -1033 -1304 -1747 -1068 1832 2807 105 -204 -3612 -5256 -4535 -5116 445 313 -881 -667 -627 -878 -443 736 -941 -1455 7 110 713 2613 936 1881 1224 938 1561 632 -700 226 736 1737 2725 2467 1410 -759 -1224 -1907 73 2477 683 1326 1274 1155 1852 -574 -1428 -2444 -2974 -1683 -2132 -1973 -3121 -3043 -1294 -94 536 1118 1160 1332 1068 121 -1088 -1351 -316 -172 -901 187 1001 52 -1177 -1626 -1458 -330 -643 -2099 -1389 -773 -930 963 1634 1324 691 346 -271 712 6 -414 191 593 529 283 1139 828 804 332 132 -661 442 -326 -776 -668 -914 -465 670 181 61 446 669 422 -308 -823 -1036 900000 267 284 335 294 -439 -757 -657 275 -585 -1101 10 -590 -195 -346 260 -434 -6 535 613 611 -447 547 695 768 137 -334 -408 -520 -300 498 796 33 -67 -1213 -1726 -1494 -1885 183 151 -481 -390 -380 -543 -274 448 -576 -873 4 62 406 1533 593 1239 838 659 1108 455 -505 160 523 1277 2127 2057 1221 -650 -973 -1427 54 1938 600 1236 1216 1088 1652 -484 -1094 -1738 -2246 -1242 -1758 -1798 -3112 -3212 -1418 -109 654 1420 1495 1684 1290 136 -1124 -1305 -301 -175 -1011 228 1302 70 -1563 -2014 -1688 -373 -765 -2701 -1872 -1080 -1357 1452 2573 2150 1115 531 -387 933 8 -534 258 848 794 432 1693 1191 1109 438 165 -873 589 -432 -1093 -971 -1355 -706 1052 300 106 788 1192 752 -539 -1397 -1712 900000 SS 20240512T160611.0Z 8898.670961 270 1 47.02 2 24.58 154.48 61.60 78.30 0.00 1 0.00 1 0 17 1.961e-02 1.134e-02 8.658e-03 3.257e-03 2.219103e-01 1.747216e-03 2.655199e-03 -6.000000e+00 1.201479e-02 230.95 -2.00 3.51 -2.00 317.09 0.00e+00 1.317276e-03 2.329726e-04 3.608345e-04 -6.000000e+00 5.228074e-04 283.31 -2.00 20.00 -2.00 316.35 0.00e+00 1.099 0.000 302.00 328.00 3 5.8436e+00 4.6062e-03 1.6070e-02 -6.0000e+00 3.0054e-02 5.0694e-02 5.1404e-03 1.1345e-02 -6.0000e+00 3.2391e-02 -5.1489e-03 3.0255e-03 5.5779e-03 -6.0000e+00 1.9253e-02 -8.8711e-03 1.4389e-03 1.6780e-03 -6.0000e+00 8.1617e-03 3.7788e-04 6.7469e-04 1.0477e-04 1.9230e-05 -6.0000e+00 5.9762e-04 6.5642e-02 -8.2520e-05 12 8 8 10 0 0 94.81 22.86 0.70 0.06564 0.07071 12 3 1 5 0 3918.120 26.21 20.00 22.86 18.01 24.3 989.11 2825 5007 -4126 -551 -7970 -5929 -2453 -79 -3132 -6860 -6953 -2222 1652 196 1858 680 -714 482 1251 1943 1572 2396 1273 257 -584 -1365 -793 -1521 727 -1139 1130 2209 1682 -2562 -5389 -4434 -3588 -110 115 111 -1612 805 -445 576 1057 218 275 -868 -630 -345 1185 1677 1535 528 650 1875 -310 430 -769 1327 1609 2303 2297 1400 -190 -1517 -1452 -951 2491 679 1136 1048 712 948 -926 -1620 -2728 -1645 -1429 -2759 -2728 -3139 -2650 -1357 47 139 1437 1052 1950 969 419 -989 -1709 -326 -901 -122 453 1013 -92 -688 -1675 -1652 -222 -765 -1680 -1470 -1390 -700 1452 1662 1195 1100 199 -249 196 433 -155 169 778 553 423 370 915 464 884 -56 -730 347 -505 -714 -911 -1267 -575 242 144 101 727 1059 286 -212 -543 -1249 900000 394 720 -638 -76 -1085 -769 -329 -12 -504 -1166 -1184 -379 303 41 430 170 -188 129 343 544 445 671 367 78 -187 -445 -249 -455 202 -321 328 684 547 -860 -1788 -1470 -1309 -46 56 60 -956 484 -276 355 647 133 163 -507 -361 -200 709 1060 1021 366 461 1335 -226 309 -552 942 1190 1813 1928 1218 -163 -1219 -1088 -712 1955 598 1065 1007 677 857 -787 -1250 -1955 -1229 -1054 -2294 -2511 -3138 -2793 -1491 55 170 1824 1359 2457 1175 471 -1025 -1660 -312 -921 -136 551 1319 -125 -912 -2083 -1920 -252 -911 -2153 -1983 -1955 -1020 2179 2617 1943 1771 306 -356 259 548 -200 228 1110 829 644 554 1316 642 1161 -70 -895 429 -669 -1004 -1326 -1886 -875 381 239 175 1281 1882 511 -371 -921 -2070 900000 SS 20240512T161143.1Z 8898.674804 273 1 49.14 2 24.16 157.49 60.61 79.07 0.00 1 0.00 1 0 17 1.695e-02 1.078e-02 6.397e-03 2.502e-03 2.168616e-01 1.315488e-03 2.529682e-03 -6.000000e+00 1.019332e-02 230.95 -2.00 3.51 -2.00 317.03 0.00e+00 1.020510e-03 1.738322e-04 3.266732e-04 -6.000000e+00 4.488145e-04 283.31 -2.00 20.00 -2.00 316.26 0.00e+00 1.096 0.000 302.00 328.00 3 5.5463e+00 3.4686e-03 1.5724e-02 -6.0000e+00 2.5483e-02 4.0345e-02 3.8938e-03 1.0918e-02 -6.0000e+00 2.7633e-02 -2.0785e-03 2.2662e-03 5.3309e-03 -6.0000e+00 1.6433e-02 -9.6804e-03 1.0485e-03 1.5453e-03 -6.0000e+00 6.7729e-03 5.2144e-04 1.2918e-03 8.0335e-05 1.7956e-05 -6.0000e+00 5.1512e-04 6.4655e-02 -1.4305e-05 12 8 8 10 0 0 99.70 22.87 0.36 0.06466 0.07436 16 4 1 5 0 3068.460 26.21 20.01 22.87 18.10 24.4 990.17 -341 3011 -3228 -6062 -5676 -3313 -1978 2728 -2144 -2990 -5298 -2491 -1086 366 221 374 802 611 519 2157 2670 1702 807 1408 1063 -561 -3119 -1038 -17 157 1095 2219 -409 -4230 -3874 -4445 -1428 -529 97 -1326 -79 -832 -553 224 52 676 161 -309 -1255 1276 1327 694 1630 1326 874 1677 586 -304 548 477 1811 2749 2206 1924 -442 -1113 -1444 326 2245 867 794 1097 378 791 -197 -1568 -2245 -2456 -1648 -2489 -2753 -2616 -3021 -1048 -418 665 1032 1096 1505 1267 135 -948 -1432 -98 -318 -253 353 651 -101 -659 -2021 -1689 -722 -121 -2140 -1189 -1086 -697 1087 1347 1263 696 711 -299 453 -337 48 85 337 740 425 968 883 513 665 -275 -241 705 -397 -613 -453 -1126 -207 -212 340 200 827 778 420 -262 -587 -1354 -419 -50 446 -499 -892 -761 -423 -286 391 -371 -531 -963 -462 -221 83 52 94 208 164 144 645 802 515 251 455 361 -195 -1077 -332 -5 47 340 733 -145 -1538 -1350 -1573 -544 -236 50 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