File name: Pandora177s1_WestportCT_20240307_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T173039.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 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_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20240307_L1_smca1c5d20230401p1-8.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: 20240307 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]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 20240307T151822.2Z 8832.637757 202 1 12.85 2 52.01 145.71 65.24 189.56 0.00 1 0.00 1 0 17 1.618e-02 1.139e-02 1.171e-03 5.620e-04 2.326682e-01 2.947092e-04 2.790366e-03 -6.000000e+00 9.578853e-03 225.84 -2.00 3.51 -2.00 316.23 0.00e+00 1.094092e-03 3.243157e-05 1.867879e-04 -6.000000e+00 4.137867e-04 276.50 -2.00 20.00 -2.00 315.67 0.00e+00 1.621 0.000 302.00 328.00 3 1.7475e+00 7.6161e-04 1.9989e-02 -6.0000e+00 2.3736e-02 4.0378e-02 8.4838e-04 1.1687e-02 -6.0000e+00 2.5725e-02 -9.0613e-03 4.9329e-04 5.7710e-03 -6.0000e+00 1.5287e-02 -3.5507e-03 2.3145e-04 1.7325e-03 -6.0000e+00 6.5285e-03 1.3737e-02 1.6131e-04 1.7133e-05 2.0472e-05 -6.0000e+00 4.7579e-04 7.0274e-03 0.0000e+00 12 9 9 12 1 1 98.55 23.04 0.34 0.00703 0.00824 123 108 1 5 0 103.530 26.41 19.99 23.04 16.33 23.5 973.97 1999 595 228 -3983 -4084 -3449 -1029 -141 -1458 -4146 -5748 -3300 -1736 -264 663 168 562 1820 1950 2300 1077 1193 1728 1673 1737 512 -717 -988 -569 -210 1488 1525 464 -3699 -5207 -4275 -3368 -1000 -363 -707 -522 -190 159 29 877 319 -143 -511 -862 126 1025 996 1079 884 629 1381 291 -279 -322 338 1233 2161 2696 1893 -82 -1377 -1464 -633 1744 1248 870 1337 1044 1160 -181 -1485 -2417 -3011 -1711 -2302 -2326 -2615 -2875 -1489 -308 319 1278 1320 1612 1183 514 -838 -1578 -555 -527 -188 678 1371 502 -501 -1384 -1903 -715 -333 -1699 -1712 -821 -742 792 1332 1296 940 539 -41 -292 -242 72 264 985 485 691 740 1191 630 796 -648 -551 525 -71 -347 -954 -1175 -429 2 312 124 736 712 460 -184 -565 -1587 356 114 43 -727 -748 -610 -191 -29 -298 -886 -1247 -734 -427 -73 204 56 192 636 703 850 406 448 658 669 668 202 -277 -395 -216 -79 583 646 192 -1577 -2155 -1764 -1530 -526 -206 -453 -359 -135 107 20 632 229 -101 -351 -585 86 731 703 801 682 498 1106 237 -226 -258 271 1023 1913 2374 1736 -75 -1168 -1242 -536 1573 1172 877 1375 1062 1123 -164 -1312 -1976 -2430 -1460 -2065 -2320 -2659 -3104 -1674 -365 377 1570 1647 1974 1386 594 -890 -1677 -585 -556 -219 809 1759 670 -654 -1689 -2310 -847 -413 -2152 -2289 -1072 -1010 1123 1984 1887 1360 784 -56 -388 -308 92 358 1339 694 1001 1050 1626 878 1053 -826 -680 657 -95 -497 -1343 -1689 -630 4 475 196 1192 1167 754 -296 -878 -2413 SS 20240307T152400.5Z 8832.641672 206 1 48.77 2 51.42 147.34 65.41 190.94 0.00 1 0.00 1 0 17 1.667e-02 1.101e-02 1.518e-03 5.428e-04 2.288409e-01 2.827697e-04 2.750806e-03 -6.000000e+00 9.870270e-03 225.84 -2.00 3.51 -2.00 317.14 0.00e+00 1.321210e-03 3.794206e-05 3.155468e-04 -6.000000e+00 4.263392e-04 276.50 -2.00 20.00 -2.00 316.52 0.00e+00 1.600 0.000 302.00 328.00 3 2.3373e+00 7.3964e-04 1.9724e-02 -6.0000e+00 2.4458e-02 4.4179e-02 8.2752e-04 1.1497e-02 -6.0000e+00 2.6507e-02 -5.9209e-03 4.9503e-04 5.7436e-03 -6.0000e+00 1.5752e-02 -6.1169e-03 2.4028e-04 1.8253e-03 -6.0000e+00 6.7277e-03 7.8042e-03 3.3207e-04 1.6943e-05 2.0287e-05 -6.0000e+00 4.9020e-04 6.3554e-03 0.0000e+00 12 8 8 10 0 0 99.99 23.02 0.34 0.00636 0.00885 643 148 1 5 0 75.840 26.41 20.02 23.02 16.70 23.6 977.43 1301 -43 -969 -3387 -3392 -2389 -1083 -610 -2523 -5028 -6886 -4025 -1423 -332 1114 116 214 1551 1593 2265 1126 1145 1451 1839 1223 461 -1354 -1618 -1166 -775 1459 1417 937 -3627 -5123 -4480 -3217 -1049 -423 -863 -869 -58 136 422 921 379 -94 -459 -917 133 1086 997 1398 1018 638 1203 278 -259 -521 302 1356 2618 2781 2092 -152 -1267 -1477 -651 1891 1221 1003 1347 1161 1261 -126 -1399 -2491 -3106 -1833 -2256 -2365 -2499 -2848 -1473 -333 347 1200 1172 1632 1194 363 -895 -1505 -581 -528 -209 691 1301 357 -584 -1539 -1846 -672 -410 -1697 -1807 -1086 -762 810 1269 1363 839 485 -212 -521 -393 -1 191 924 486 700 787 1152 723 780 -787 -595 478 -104 -356 -981 -1207 -368 23 243 36 727 728 513 -74 -557 -1450 171 -6 -136 -450 -410 -278 -133 -84 -379 -789 -1099 -656 -254 -67 248 28 53 395 419 609 309 313 402 533 373 144 -416 -471 -322 -212 414 435 304 -1218 -1670 -1461 -1151 -435 -205 -472 -511 -35 84 260 565 231 -56 -269 -530 77 659 645 946 717 461 881 207 -192 -381 221 1026 2107 2176 1702 -122 -1048 -1142 -502 1551 1016 895 1227 1044 1081 -111 -1122 -1852 -2280 -1422 -1969 -2295 -2392 -2896 -1561 -372 411 1476 1464 1998 1398 395 -894 -1549 -593 -577 -228 823 1665 476 -761 -1873 -2099 -747 -478 -2143 -2410 -1501 -1095 1211 1994 2204 1349 742 -301 -687 -498 -1 258 1321 732 1066 1175 1655 999 1026 -997 -802 595 -138 -506 -1450 -1821 -565 37 411 63 1304 1322 930 -132 -959 -2441 SS 20240307T152917.2Z 8832.645338 209 1 48.74 2 50.89 148.89 65.58 192.22 0.00 1 0.00 1 0 17 1.654e-02 1.113e-02 1.525e-03 5.865e-04 2.276179e-01 3.052002e-04 2.718985e-03 -6.000000e+00 9.792858e-03 225.84 -2.00 3.51 -2.00 317.00 0.00e+00 1.276347e-03 3.962385e-05 2.874086e-04 -6.000000e+00 4.229958e-04 276.50 -2.00 20.00 -2.00 316.40 0.00e+00 1.582 0.000 302.00 328.00 3 2.7177e+00 7.9597e-04 1.9514e-02 -6.0000e+00 2.4266e-02 4.7846e-02 8.9041e-04 1.1390e-02 -6.0000e+00 2.6299e-02 -6.5282e-03 5.2749e-04 5.6767e-03 -6.0000e+00 1.5629e-02 -5.7114e-03 2.5444e-04 1.7860e-03 -6.0000e+00 6.6749e-03 5.4326e-03 3.1361e-04 1.8056e-05 1.9049e-05 -6.0000e+00 4.8635e-04 6.3586e-03 0.0000e+00 12 8 8 10 0 0 99.98 23.03 0.25 0.00636 0.00872 272 63 1 5 0 179.160 26.41 19.99 23.03 16.88 23.5 977.57 1387 199 -162 -3479 -3979 -3051 -1562 97 -2177 -4754 -6185 -3495 -1952 -142 411 -104 450 1394 1958 2269 926 989 1838 1982 1354 239 -1361 -1100 -901 -399 1488 1724 855 -3452 -5394 -4791 -3259 -1102 -152 -865 -490 -216 36 168 947 477 -254 -308 -867 227 1134 1141 1340 979 617 1220 269 -417 -238 159 1468 2472 2685 2096 -131 -1149 -1535 -560 1888 1257 930 1421 1154 1169 -111 -1374 -2585 -3053 -1694 -2150 -2399 -2472 -2907 -1441 -418 430 1248 1245 1511 1223 453 -889 -1524 -587 -514 -253 647 1311 421 -453 -1492 -1787 -746 -305 -1653 -1732 -992 -687 872 1339 1399 894 490 -121 -370 -353 9 275 854 523 637 739 1057 656 806 -666 -598 530 -26 -384 -1022 -1152 -402 2 296 108 742 713 492 -124 -566 -1542 198 30 -25 -503 -527 -389 -210 14 -355 -809 -1066 -616 -380 -31 100 -27 122 385 556 660 275 292 549 620 446 81 -452 -344 -268 -117 455 569 299 -1247 -1899 -1688 -1256 -492 -79 -463 -281 -128 22 101 567 284 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