File name: Pandora177s1_WestportCT_20230728_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T025426.3Z 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_20230728_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: 20230728 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 20230728T113107.3Z 8609.479946 94 1 47.40 2 71.91 80.28 157.58 311.51 0.00 1 0.00 1 0 17 1.672e-01 1.764e-02 1.749e-01 1.312e-02 3.926565e-01 7.159226e-03 5.241931e-03 -6.000000e+00 1.018979e-01 232.49 -2.00 3.51 -2.00 319.91 0.00e+00 9.958520e-04 2.207409e-03 3.215613e-03 -6.000000e+00 4.595490e-03 289.74 -2.00 20.00 -2.00 319.12 0.00e+00 3.177 0.001 302.00 328.00 3 5.2162e+00 2.1032e-02 4.0767e-02 -6.0000e+00 2.5520e-01 1.5732e-02 2.5179e-02 2.9241e-02 -6.0000e+00 2.7444e-01 -2.6002e-02 1.9242e-02 1.1812e-02 -6.0000e+00 1.6339e-01 4.6746e-03 9.8447e-03 3.1232e-03 -6.0000e+00 6.9840e-02 7.5161e-05 4.0955e-05 4.2460e-04 3.9826e-05 -6.0000e+00 4.9541e-03 -1.1040e-02 0.0000e+00 12 8 8 10 0 0 99.28 23.35 -0.01 -0.01104 -0.01073 15 3 1 5 0 3158.910 26.73 20.00 23.35 30.05 21.8 1052.42 -7740 -8749 -50776 -41658 900000 -48193 -47546 -58220 69637 -43488 -76810 -42398 -3439 28495 10403 34828 -20659 3355 15457 52244 2924 -23996 -8449 3516 9320 19922 -17139 -17843 13252 24170 9687 -5370 -20493 -12953 -1685 -9960 8742 20250 -4153 3732 -1272 -2661 5312 6733 3943 15286 9401 -9567 2020 4572 -1200 10532 -6692 685 2714 3295 -2097 7062 1719 -830 -3137 9756 2740 -578 6829 3068 456 2034 1643 -2031 2324 2897 -3888 2385 -84 -2879 -7265 -4308 -204 -4358 -1976 -3409 -312 -3794 1707 431 551 1975 663 269 440 81 -3318 1177 -461 -1484 -859 1949 -365 -848 -1247 -3384 -882 22 -2374 -781 -762 -152 641 1219 1749 2339 -381 422 -172 -1002 -998 1215 610 802 350 886 1370 -922 2896 -1932 -1213 1376 -1935 582 -259 -1418 -1967 -63 617 593 188 1348 225 -94 -264 -1239 -151 -191 -1624 -1223 900000 -1378 -1467 -2278 891 -1702 -4335 -1851 -119 858 438 1284 -1430 194 838 2044 191 -2077 -649 257 687 1364 -1677 -1692 898 1510 773 -562 -2714 -1618 -183 -1184 961 2377 -747 713 -281 -629 1195 1515 920 3198 2080 -2556 486 1118 -335 3023 -2307 246 935 1238 -845 2581 653 -324 -1314 3916 1293 -299 3287 1455 212 950 850 -1223 1447 1851 -2624 1438 -48 -1526 -3741 -2153 -107 -2718 -1364 -2633 -251 -3352 1525 416 559 2015 677 264 401 68 -2741 947 -411 -1501 -969 2349 -472 -1080 -1479 -3778 -932 24 -2838 -973 -997 -209 938 1916 2886 3885 -629 649 -248 -1410 -1423 1784 959 1311 578 1423 2116 -1403 4062 -2713 -1650 1893 -2992 953 -452 -2587 -3750 -124 1279 1285 419 3011 506 -207 -553 -2521 SS 20230728T113612.6Z 8609.483479 97 1 48.03 2 70.97 81.06 158.26 313.81 0.00 1 0.00 1 0 17 1.662e-01 1.301e-02 1.497e-01 7.604e-03 3.792807e-01 4.139545e-03 4.778794e-03 -6.000000e+00 1.010595e-01 232.49 -2.00 3.51 -2.00 320.04 0.00e+00 1.499448e-03 1.305457e-03 2.605627e-03 -6.000000e+00 4.491387e-03 289.74 -2.00 20.00 -2.00 319.23 0.00e+00 3.029 0.000 302.00 328.00 3 3.3955e+00 1.2354e-02 3.8242e-02 -6.0000e+00 2.5329e-01 -3.2888e-02 1.4809e-02 2.5752e-02 -6.0000e+00 2.7240e-01 2.3825e-02 1.1380e-02 1.1357e-02 -6.0000e+00 1.6232e-01 -2.0057e-02 5.8124e-03 2.7537e-03 -6.0000e+00 6.9362e-02 5.5100e-04 2.6717e-05 2.5074e-04 4.0165e-05 -6.0000e+00 4.8962e-03 -8.2852e-03 0.0000e+00 12 8 8 10 0 0 99.99 23.36 0.38 -0.00829 -0.00808 76 17 2 5 0 631.840 26.73 20.00 23.36 30.36 21.8 1054.04 -19552 -51505 -35970 -21197 -44376 89347 -68648 91649 -22742 20937 -48565 -48721 2634 -20707 22107 -14179 16044 -11162 13460 15280 -5886 -3296 -20092 -16562 846 11180 8660 9844 -10603 5374 -1848 8055 6327 -9738 5672 2201 4825 -3419 2197 -4920 682 -2542 -2743 4234 3619 4034 193 3147 -4859 4449 744 882 3998 -1013 2119 1565 -925 1939 -1842 -2883 1089 1534 4189 6351 -1404 2292 636 -813 4404 1256 222 844 1144 -1858 172 -2325 1153 -2548 -1730 -3340 -2948 -3139 -2353 -2112 -1038 872 1449 2352 1576 1219 455 -1895 -892 -83 -504 68 1962 346 506 -98 -2614 -3750 -2076 599 -1295 22 -1479 -493 -170 1302 894 953 509 -1009 54 -270 -233 -382 1607 381 685 960 841 1459 465 -216 -820 274 -1206 -1389 -453 -1624 -291 -105 498 435 564 1433 -156 363 -370 -1514 -381 -1528 -933 -452 -1110 662 -2354 770 -622 388 -1868 -2055 78 -931 758 -782 706 -688 686 800 -390 -215 -1611 -1374 67 829 651 706 -912 406 -166 741 644 -1184 575 234 558 -516 376 -1039 149 -608 -679 994 864 965 48 758 -1282 1115 209 268 1267 -356 751 575 -354 718 -699 -1113 424 649 1891 2976 -710 1058 285 -377 2142 707 137 532 709 -1130 94 -1186 528 -1212 -891 -1996 -1987 -2335 -1862 -1771 -920 810 1407 2309 1540 1145 401 -1571 -693 -65 -433 65 2068 407 622 -118 -3010 -4027 -2287 670 -1581 27 -1877 -654 -241 1964 1426 1535 795 -1501 80 -386 -337 -584 2561 641 1158 1581 1340 2226 686 -306 -1141 391 -1901 -2378 -810 -3035 -557 -211 1058 966 1285 3277 -361 812 -797 -3179 SS 20230728T115902.3Z 8609.499332 106 1 3.19 2 66.70 84.61 160.94 325.69 0.00 1 0.00 1 0 17 3.747e-02 1.406e-02 2.821e-02 5.950e-03 3.188389e-01 3.178709e-03 3.944494e-03 -6.000000e+00 2.278727e-02 232.49 -2.00 3.51 -2.00 317.98 0.00e+00 1.520671e-04 5.578172e-04 1.053048e-03 -6.000000e+00 1.012238e-03 289.74 -2.00 20.00 -2.00 317.13 0.00e+00 2.509 0.000 302.00 328.00 3 3.4718e+00 8.5560e-03 3.0468e-02 -6.0000e+00 5.7115e-02 -5.3027e-03 9.6286e-03 1.7600e-02 -6.0000e+00 6.1415e-02 9.8527e-03 6.0678e-03 8.1217e-03 -6.0000e+00 3.6597e-02 -1.0330e-02 3.0957e-03 2.3523e-03 -6.0000e+00 1.5646e-02 9.0793e-04 -1.9183e-04 1.8254e-04 2.5891e-05 -6.0000e+00 1.1034e-03 -1.1350e-02 0.0000e+00 12 9 9 12 1 1 999.00 23.35 0.46 -0.01135 -0.01279 2 11 1 5 0 1006.950 26.73 20.01 23.35 31.08 21.9 1059.38 1138 -2474 -6765 -10831 -18320 -13134 -19492 -6479 -2465 -3317 6919 -6062 6343 -7657 3467 -7169 2846 -1880 2047 -1762 1637 5438 -2154 6247 -3471 -493 122 471 -6434 2028 4028 1587 323 -3424 -5153 -7742 -3424 -2637 -40 -83 2077 421 2901 -155 611 896 -13 -1549 -839 -15 2059 1345 2618 861 -889 1482 -529 201 -1296 -1067 616 3846 3929 3726 1187 -1575 -2582 -1065 2444 -100 1730 1801 1419 1425 -120 -663 -3651 -3199 -1670 -1939 -1604 -1714 -2660 -2291 -1515 7 1369 1441 2466 1740 161 -1119 -2134 -725 -1019 -1123 323 2259 932 35 -2123 -1616 -1629 -1543 -2522 -1938 -1900 -53 1404 1494 1678 1444 953 -302 -539 -1047 208 532 673 924 744 1292 1302 707 246 -587 -535 671 253 -715 -625 -1614 -523 -586 609 -134 600 1159 660 -80 -551 -1636 68 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