File name: Pandora55s1_QueensNY_20241129_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241130T045020.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241129_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20241129 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20241129T144749.9Z 9099.616550 156 1 50.48 2 67.94 150.90 63.01 170.85 0.00 1 0.00 1 0 25 1.540e-02 6.416e-03 1.713e-03 3.770e-04 3.650242e-01 1.926969e-04 4.425191e-03 -6.000000e+00 8.970371e-03 223.05 -2.00 3.51 -2.00 317.80 0.00e+00 2.521220e-04 3.229993e-05 1.483314e-04 -6.000000e+00 3.977964e-04 278.89 -2.00 20.00 -2.00 317.14 0.00e+00 2.639 0.000 302.00 328.00 3 1.0079e+00 5.0844e-04 3.2067e-02 -6.0000e+00 2.2057e-02 1.5601e-02 5.7523e-04 1.8502e-02 -6.0000e+00 2.3994e-02 -8.0659e-03 3.6355e-04 9.2274e-03 -6.0000e+00 1.4326e-02 -2.2764e-03 1.8493e-04 2.6641e-03 -6.0000e+00 6.0552e-03 8.9036e-03 -3.5021e-04 1.1415e-05 3.3206e-05 -6.0000e+00 4.5881e-04 4.7943e-03 0.0000e+00 11 8 0 10 0 0 43.47 22.58 0.21 0.00479 0.00216 570 108 1 5 0 88.550 25.90 20.00 22.58 13.86 36.5 986.20 -6289 -5279 -4185 -6766 -6340 -4413 -3618 -2217 -2388 -4398 -3322 -2501 -954 -764 685 -1125 -533 -318 324 741 -705 1065 876 519 110 -48 -538 -899 67 839 1427 1481 1531 -1278 -915 -10 -54 -172 519 -557 -1251 -924 -1320 -842 -796 -226 -808 -185 -549 729 787 672 980 963 957 807 934 200 781 889 1487 1401 1348 487 -534 -57 298 537 1239 874 67 -321 -674 -531 -719 -177 217 608 1210 154 -1 -785 -1450 -1377 -1241 -1217 -839 -610 -515 -561 -102 423 510 1444 1500 1274 894 817 -408 -520 -442 -571 -57 697 -110 -930 -432 -822 -71 4 -23 -323 -149 -33 50 682 882 875 556 -171 -711 -520 -362 -359 144 138 518 1471 1094 490 619 51 352 178 217 -332 -246 79 -504 -519 -266 -217 -129 184 -396 -375 -311 -508 -440 -310 -258 -159 -193 -392 -304 -237 -99 -93 96 -170 -87 -55 59 141 -140 211 176 110 25 -12 -133 -218 15 187 329 376 400 -367 -262 -3 -15 -55 184 -237 -573 -458 -648 -422 -402 -114 -410 -93 -274 363 408 375 589 584 610 535 634 131 533 596 996 931 973 367 -429 -45 223 404 942 692 57 -295 -612 -476 -643 -153 168 459 899 118 -1 -709 -1455 -1417 -1294 -1353 -950 -724 -625 -675 -117 470 543 1433 1488 1360 1023 1005 -518 -698 -587 -739 -70 814 -133 -1158 -567 -1097 -99 5 -34 -493 -233 -51 75 970 1233 1217 778 -246 -1086 -806 -552 -531 212 193 718 1942 1464 681 931 80 548 287 354 -555 -433 139 -903 -933 -468 -377 -222 308 SS 20241129T145909.8Z 9099.624419 159 1 1.52 2 66.94 153.54 62.76 173.74 0.00 1 0.00 1 0 25 3.169e-02 9.355e-03 2.223e-02 5.518e-03 3.503413e-01 2.821853e-03 4.237792e-03 -6.000000e+00 1.846159e-02 223.05 -2.00 3.51 -2.00 317.57 0.00e+00 2.104338e-04 4.456681e-04 1.794517e-04 -6.000000e+00 8.186933e-04 278.89 -2.00 20.00 -2.00 316.92 0.00e+00 2.533 0.000 302.00 328.00 3 2.5660e+00 7.4161e-03 3.0746e-02 -6.0000e+00 4.5394e-02 2.2362e-02 8.3679e-03 1.7700e-02 -6.0000e+00 4.9382e-02 -6.9502e-03 5.1811e-03 8.8175e-03 -6.0000e+00 2.9485e-02 -1.6283e-03 2.6084e-03 2.5475e-03 -6.0000e+00 1.2462e-02 2.1093e-03 -3.0944e-04 1.6798e-04 3.2346e-05 -6.0000e+00 9.4427e-04 4.8515e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.58 0.15 0.00485 0.00253 2 19 1 5 0 497.330 25.90 20.00 22.58 15.56 36.6 994.87 -8870 -12727 54 -13600 2383 -5679 12304 882 14239 -11497 3398 -3669 3176 817 3789 -610 -4363 5006 -1748 8961 -6831 4284 1283 2749 331 -471 541 -586 -2886 -1120 3277 -1341 3240 -3667 -1557 -437 -1333 -862 -75 -146 -3200 995 -3333 454 -1908 366 -118 1700 -1069 2359 573 1188 580 1616 1463 297 1942 837 1601 -655 1972 446 1921 380 -992 -1385 -1030 394 1339 1029 -371 537 -265 -797 -852 -1027 758 4 2231 -1070 1156 -1559 -654 -1779 -1062 -1496 -740 -232 -1335 -702 679 947 97 2096 1906 1423 864 689 -254 11 -606 -562 -41 373 963 -1638 -39 -1127 -261 -776 -45 -599 279 182 -1006 920 1499 920 502 -474 -238 -260 -510 139 308 -183 292 682 1215 592 1519 5 229 -122 -198 -542 -593 -108 -338 -510 321 396 -731 227 -697 -1159 5 -1293 185 -448 847 74 1178 -1280 342 -407 365 110 570 -106 -846 944 -364 1772 -1579 914 284 625 81 -122 141 -151 -731 -275 800 -367 926 -1163 -486 -132 -416 -295 -29 -64 -1579 505 -1802 243 -1045 198 -64 904 -577 1253 317 686 354 1024 961 201 1328 580 1101 -453 1346 317 1423 300 -817 -1137 -815 300 1024 834 -324 490 -248 -743 -771 -887 610 3 1684 -862 996 -1465 -649 -1852 -1139 -1671 -854 -276 -1616 -843 790 1057 104 2133 1943 1515 982 838 -328 15 -803 -719 -50 441 1155 -2068 -51 -1509 -359 -1106 -67 -916 429 276 -1489 1296 2047 1257 703 -690 -356 -393 -767 206 445 -258 402 915 1637 830 2214 8 355 -193 -319 -904 -1016 -187 -595 -900 558 675 -1224 375 SS 20241129T150355.6Z 9099.627727 163 1 38.00 2 66.55 154.67 62.69 174.96 0.00 1 0.00 1 0 25 1.075e-01 1.211e-02 1.889e-02 3.067e-03 3.394551e-01 1.564644e-03 4.102492e-03 -6.000000e+00 6.264755e-02 223.05 -2.00 3.51 -2.00 318.16 0.00e+00 1.332100e-04 2.913673e-04 2.737360e-04 -6.000000e+00 2.778092e-03 278.89 -2.00 20.00 -2.00 317.50 0.00e+00 2.494 0.000 302.00 328.00 3 4.7406e+00 4.1672e-03 3.0158e-02 -6.0000e+00 1.5404e-01 2.4739e-02 4.7383e-03 1.7288e-02 -6.0000e+00 1.6757e-01 1.0284e-02 3.0934e-03 8.6045e-03 -6.0000e+00 1.0005e-01 -8.7585e-03 1.5917e-03 2.4877e-03 -6.0000e+00 4.2289e-02 2.5113e-04 -2.3783e-04 9.4915e-05 3.1150e-05 -6.0000e+00 3.2042e-03 4.6828e-03 0.0000e+00 12 9 9 12 33 1 99.99 22.58 0.37 0.00468 0.00290 20 5 1 5 0 1808.840 25.90 20.01 22.58 15.83 36.7 994.94 -25359 -21936 87441 -27852 -3911 19127 -5837 53278 -3085 -4034 -14379 -11218 -11975 -1843 27476 -389 -10067 -4582 22534 8289 -6952 2499 5495 -9836 -1183 -2950 19402 -1277 -3747 -4822 1116 5480 994 -3506 -1006 12627 -3404 -5745 1558 1219 -3089 372 -4621 -1893 -658 3363 -2565 2635 460 2892 -936 491 -2999 4788 3248 1527 2891 1670 3109 -91 -769 3169 1202 -1673 1378 -2074 981 -894 860 1327 -290 346 77 -1824 1111 -737 423 3150 281 -973 -1104 1049 -2185 -1168 -1607 -991 -1991 -1157 -911 -568 -174 48 716 1142 827 1706 -172 674 -87 -143 -518 -250 -190 1698 271 -493 -274 -991 357 1098 486 -1107 124 -78 -609 17 443 1473 -6 -160 -1484 -389 306 -15 210 740 -298 1296 695 -68 807 468 807 213 322 -361 445 209 -188 -907 -327 -582 -78 -189 -1686 -1587 2429 -2211 -233 870 -343 2004 -218 -308 -1250 -985 -1162 -188 2469 -51 -1554 -709 2851 1247 -1235 413 897 -1923 -228 -607 3318 -258 -743 -944 214 1096 227 -878 -247 2670 -855 -1637 487 442 -1298 162 -2185 -895 -310 1539 -1226 1198 212 1317 -453 249 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