File name: Pandora187s1_PittsburghPA_20241119_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241126T213341.2Z 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: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v5d20230706.txt Level 1 file used: Pandora187s1_PittsburghPA_20241119_L1_smca1c5d20230706p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20241119 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: None First and last pixel inside fitting window: 194 335 Nominal wavelengths inside fitting window [nm]: 305.0595 305.2010 305.3424 305.4838 305.6252 305.7666 305.9080 306.0494 306.1908 306.3321 306.4735 306.6148 306.7561 306.8974 307.0387 307.1800 307.3213 307.4626 307.6038 307.7451 307.8863 308.0275 308.1687 308.3099 308.4511 308.5923 308.7335 308.8746 309.0158 309.1569 309.2980 309.4391 309.5802 309.7213 309.8624 310.0035 310.1445 310.2856 310.4266 310.5676 310.7086 310.8496 310.9906 311.1316 311.2726 311.4135 311.5545 311.6954 311.8363 311.9772 312.1181 312.2590 312.3999 312.5408 312.6816 312.8225 312.9633 313.1041 313.2449 313.3857 313.5265 313.6673 313.8080 313.9488 314.0895 314.2303 314.3710 314.5117 314.6524 314.7931 314.9338 315.0744 315.2151 315.3557 315.4963 315.6370 315.7776 315.9182 316.0587 316.1993 316.3399 316.4804 316.6210 316.7615 316.9020 317.0425 317.1830 317.3235 317.4640 317.6044 317.7449 317.8853 318.0257 318.1662 318.3066 318.4470 318.5873 318.7277 318.8681 319.0084 319.1488 319.2891 319.4294 319.5697 319.7100 319.8503 319.9905 320.1308 320.2710 320.4113 320.5515 320.6917 320.8319 320.9721 321.1123 321.2524 321.3926 321.5327 321.6728 321.8130 321.9531 322.0932 322.2333 322.3733 322.5134 322.6534 322.7935 322.9335 323.0735 323.2135 323.3535 323.4935 323.6335 323.7734 323.9134 324.0533 324.1932 324.3332 324.4731 324.6129 324.7528 324.8927 --------------------------------------------------------------------------------------- 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 20241119T141030.0Z 9089.590625 325 1 46.83 2 72.57 136.99 68.34 287.41 0.00 1 0.00 1 0 17 1.177e-01 1.577e-02 1.162e-01 9.231e-03 3.706478e-01 4.683363e-03 4.488112e-03 -6.000000e+00 6.728985e-02 223.14 -2.00 3.49 -2.00 319.34 0.00e+00 1.222638e-03 1.209337e-03 4.691144e-04 -6.000000e+00 2.961213e-03 278.78 -2.00 20.00 -2.00 318.74 0.00e+00 3.292 0.001 302.00 328.00 3 5.4206e+00 1.2971e-02 3.7022e-02 -6.0000e+00 1.6566e-01 6.3797e-02 1.5127e-02 1.9521e-02 -6.0000e+00 1.8003e-01 -3.6405e-03 1.1645e-02 9.5725e-03 -6.0000e+00 1.0735e-01 -5.0560e-03 6.1715e-03 3.0658e-03 -6.0000e+00 4.6292e-02 6.1393e-05 -6.8939e-04 2.7738e-04 3.5012e-05 -6.0000e+00 3.2748e-03 -1.0912e-02 -8.5368e-05 12 8 8 10 0 0 99.97 19.07 0.18 -0.01091 -0.01609 15 5 1 5 0 3121.550 22.50 15.00 19.07 19.96 30.8 958.58 41314 5533 3485 11044 -50784 -45160 58454 -9686 26012 -2742 -4666 28114 26827 9657 -4561 623 -5541 15927 -8733 20204 11571 -28408 -28301 9992 -821 -7684 -4398 4138 -275 2237 -9813 -4883 53693 8849 -1993 1342 6290 -4407 -6972 446 -3033 -3358 3700 1064 5783 621 6663 -3801 -46 -1253 4304 -2249 -3048 -189 6217 -1611 1190 587 4093 -26 -1208 4948 2945 1873 3593 -4286 -2108 206 -1087 1329 1234 -518 866 1234 -1923 1547 -2066 -912 2882 -560 -3055 548 -2309 -1144 1562 -499 -6415 1549 3272 2678 337 1571 2151 654 -111 -1361 -1656 -1483 -428 1646 46 -271 423 775 -2578 -1629 297 -1062 1662 756 -692 1003 733 -525 -818 -654 647 450 857 -99 -2079 1419 -1186 -229 -700 -615 1721 1857 1025 770 504 57 -13 658 367 -602 213 69 -468 -387 156 -981 691 149 101 284 -2188 -1771 864 -318 669 -100 -177 813 914 466 -299 44 -449 1106 -820 1481 945 -3452 -3548 912 -89 -929 -517 426 -30 245 -1237 -703 4758 1274 -304 196 962 -882 -1605 112 -868 -1017 1082 324 1688 192 1928 -1214 -15 -404 1520 -854 -1248 -80 2562 -738 539 266 1884 -13 -565 2370 1585 1094 2058 -2491 -1231 118 -640 866 874 -386 628 848 -1251 940 -1201 -518 1720 -396 -2331 446 -2068 -1068 1523 -530 -7572 1727 3553 2782 331 1400 1930 561 -104 -1460 -2005 -1983 -590 2155 56 -307 457 877 -3252 -2139 403 -1540 2515 1163 -1140 1634 1232 -833 -1208 -928 924 679 1376 -167 -3572 2295 -1906 -348 -1021 -854 2275 2573 1562 1270 877 97 -23 1200 713 -1223 440 145 -972 -772 297 -1814 SS 20241119T154345.8Z 9089.655391 380 1 28.14 2 63.07 158.39 84.06 300.14 0.00 1 0.00 1 0 25 1.532e-02 8.095e-03 1.654e-02 5.025e-03 2.490734e-01 2.534101e-03 3.082743e-03 -6.000000e+00 8.762684e-03 223.14 -2.00 3.49 -2.00 317.40 0.00e+00 1.191293e-03 3.728432e-04 1.403988e-04 -6.000000e+00 3.853613e-04 278.77 -2.00 20.00 -2.00 316.75 0.00e+00 2.196 0.000 302.00 328.00 3 5.3539e+00 6.6282e-03 2.4676e-02 -6.0000e+00 2.1573e-02 5.1321e-02 7.4574e-03 1.2894e-02 -6.0000e+00 2.3439e-02 -9.2541e-03 4.5687e-03 6.3673e-03 -6.0000e+00 1.3977e-02 -3.0492e-03 2.3004e-03 2.1219e-03 -6.0000e+00 6.0317e-03 2.2226e-04 9.6601e-05 1.4865e-04 2.4183e-05 -6.0000e+00 4.2599e-04 -1.2944e-02 3.0693e-05 12 9 1 12 1 1 99.87 19.06 0.27 -0.01294 -0.01222 10 6 1 5 0 2557.210 22.40 14.99 19.06 22.07 31.0 972.19 4819 -2811 3202 -2603 -3326 -2373 4033 -883 1100 -6444 -1235 -269 -2022 3716 -2883 869 -687 2581 -2398 4476 2872 -264 -1896 1491 918 -686 -227 247 611 -530 272 -1760 1160 -536 -2646 -1904 -2301 -2923 -1235 -1215 -1529 -1505 -56 572 -121 864 535 -326 -1045 -417 305 343 -601 2148 1521 515 1402 799 1552 -810 1198 1488 2655 1566 1394 -2566 -1251 -851 806 -161 238 428 664 1127 155 100 -814 -285 -647 -691 -1327 -933 -2577 -1585 -556 -460 583 756 1175 790 -81 -140 -167 -96 -59 -358 260 147 145 -258 -66 -977 -83 342 -1544 -969 -1089 -362 675 910 463 783 666 -187 -147 -368 -131 -130 -190 -375 -1188 692 -17 262 -457 -533 799 1437 795 649 492 399 639 163 589 -648 119 -240 -272 -346 -107 -810 483 -335 369 -300 -343 -230 383 -98 132 -877 -158 -35 -298 594 -562 180 -151 570 -578 1041 690 -65 -482 384 249 -195 -64 65 151 -131 70 -502 346 -166 -787 -553 -732 -1089 -540 -616 -847 -869 -33 336 -71 504 307 -184 -581 -233 178 214 -371 1355 992 345 944 537 1094 -584 817 1091 2086 1311 1148 -2023 -978 -653 610 -139 221 410 629 1017 130 81 -607 -205 -497 -556 -1203 -924 -2747 -1760 -612 -541 712 944 1448 930 -95 -149 -164 -94 -62 -417 312 194 198 -341 -81 -1118 -99 425 -1970 -1291 -1523 -525 961 1375 732 1223 989 -275 -200 -479 -173 -182 -285 -555 -1789 1071 -25 376 -627 -696 996 1840 1100 956 756 624 961 258 986 -1140 214 -439 -493 -608 -181 -1333 SS 20241119T154859.0Z 9089.659016 383 1 46.10 2 62.71 159.71 84.89 300.89 0.00 1 0.00 1 0 17 1.089e-02 6.365e-03 1.632e-03 5.177e-04 2.433464e-01 2.600490e-04 2.988518e-03 -6.000000e+00 6.227918e-03 223.14 -2.00 3.49 -2.00 317.37 0.00e+00 6.576413e-04 3.805538e-05 1.004711e-04 -6.000000e+00 2.739640e-04 278.77 -2.00 20.00 -2.00 316.73 0.00e+00 2.170 0.000 302.00 328.00 3 1.5003e+00 6.7992e-04 2.4257e-02 -6.0000e+00 1.5333e-02 1.9653e-02 7.6652e-04 1.2422e-02 -6.0000e+00 1.6660e-02 -7.8782e-03 4.6519e-04 6.1754e-03 -6.0000e+00 9.9347e-03 -3.7706e-03 2.3239e-04 1.8877e-03 -6.0000e+00 4.2862e-03 1.1044e-02 -1.7170e-05 1.5281e-05 2.1870e-05 -6.0000e+00 3.0288e-04 -1.2406e-02 -1.4902e-05 10 0 0 10 0 0 99.88 19.06 0.34 -0.01241 -0.01253 1070 329 1 5 0 42.910 22.40 15.00 19.06 22.37 31.1 975.20 -570 -1613 -872 -3571 -3701 -2441 -1603 -690 -1459 -1660 -3635 -1905 -1694 -614 -237 21 -326 811 887 1680 648 688 1596 1104 528 230 -124 -1162 -591 255 1131 928 1504 -1525 -3300 -2787 -2547 -1783 -846 -810 -1072 -732 -675 -164 238 -41 -283 -58 -629 300 665 609 862 976 968 1286 1149 486 731 796 1120 1404 1787 1416 -62 -515 -524 -522 495 319 251 320 418 808 429 358 -232 -655 -465 -915 -977 -1580 -2468 -1646 -1023 -631 -69 252 501 473 283 -203 -192 8 -33 -96 726 726 -14 -376 -514 -852 72 80 -942 -674 -584 -366 339 358 126 179 439 193 114 145 -189 -79 -154 -359 -404 -72 202 245 412 -244 823 1245 980 850 545 333 295 323 -34 -312 5 -265 -386 -122 -408 -758 -58 -182 -100 -437 -403 -249 -170 -81 -191 -229 -508 -267 -264 -108 -47 5 -75 191 217 421 167 175 412 301 152 69 -37 -330 -155 66 304 269 468 -499 -1031 -853 -851 -689 -387 -391 -565 -401 -380 -93 134 -23 -156 -31 -332 158 368 361 537 639 651 879 797 337 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