File name: Pandora75s1_EssexMD_20250108_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20250109T051613.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20250108_L1_smca1c1d20221230p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250108 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: OoB-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 20250108T142154.1Z 9139.598542 158 1 50.93 2 73.28 139.00 116.81 33.43 0.00 1 0.00 1 0 17 2.540e-01 1.134e-02 2.004e-01 7.024e-03 5.229355e-01 3.886053e-03 6.355284e-03 -6.000000e+00 1.518453e-01 223.72 -2.00 3.48 -2.00 320.51 0.00e+00 2.865861e-03 1.439949e-03 2.846180e-03 -6.000000e+00 6.824713e-03 277.09 -2.00 20.00 -2.00 319.99 0.00e+00 3.423 0.001 302.00 328.00 3 4.4300e+00 1.1694e-02 4.4775e-02 -6.0000e+00 3.7419e-01 8.6837e-02 1.4598e-02 3.0505e-02 -6.0000e+00 4.0556e-01 -5.7899e-02 1.3697e-02 1.6773e-02 -6.0000e+00 2.4181e-01 9.3342e-03 6.9285e-03 5.5306e-03 -6.0000e+00 1.0542e-01 1.0717e-04 -6.7408e-04 2.2905e-04 9.5480e-05 -6.0000e+00 7.9352e-03 -2.5260e-02 2.1253e-04 12 9 8 11 16 0 86.76 22.77 0.31 -0.02526 -0.03033 13 2 1 5 0 3917.670 25.68 20.00 22.77 5.85 5.8 868.04 900000 900000 176281 900000 -130695 -13551 -153 -90253 -22501 -52984 -99294 -45431 19035 -61059 35199 -12831 -41747 -34413 -15545 -41913 1439 19158 18198 -18757 2793 -13023 3046 -19907 5526 -4763 19657 1640 -1310 -13324 -5323 -2498 3172 -5632 5853 3641 -4327 -3418 10202 -4321 -4879 -214 7647 3214 724 3777 -973 4851 4905 -1423 4723 7301 -851 -93 578 776 4176 1400 -41 3361 3421 3971 3369 675 336 535 2404 2854 169 -2285 -194 -1712 -2237 -4982 -6075 -2906 -2460 -1552 -1185 -1878 605 47 1336 1379 2231 2304 227 -1087 -1400 -2015 -318 -236 -702 667 220 -49 -1007 -1972 -1451 -1849 -999 -1982 -907 -258 1576 1179 762 87 -223 -530 -96 -65 -103 789 365 460 825 1023 1264 182 63 -401 -1276 1436 -426 -308 -785 -284 93 -573 475 502 -4 17 -215 679 -172 -958 900000 900000 1207 900000 -3253 -101 -1 -1685 -238 -824 -2595 -763 201 -1786 482 -335 -1637 -1370 -551 -2034 47 525 521 -829 106 -608 123 -991 210 -210 771 89 -82 -1003 -364 -166 217 -491 546 410 -592 -498 1359 -683 -865 -37 1230 550 131 698 -205 1059 1162 -386 1267 1974 -254 -28 167 222 1198 449 -15 1284 1346 1517 1268 267 144 258 1241 1526 92 -1207 -92 -749 -920 -2114 -2853 -1524 -1473 -1033 -853 -1447 485 40 1182 1248 1990 1970 184 -837 -1037 -1533 -260 -219 -745 781 274 -60 -1178 -2135 -1472 -1910 -1086 -2297 -1099 -332 2156 1770 1235 147 -371 -843 -143 -93 -149 1180 578 751 1338 1614 1923 268 89 -547 -1727 1978 -655 -518 -1428 -542 185 -1208 1049 1154 -10 41 -512 1539 -375 -2011 SS 20250108T142718.9Z 9139.602302 161 1 51.00 2 72.60 140.10 116.24 34.65 0.00 1 0.00 1 0 17 2.341e-01 1.139e-02 1.410e-01 6.499e-03 4.996690e-01 3.541509e-03 6.085744e-03 -6.000000e+00 1.398873e-01 223.72 -2.00 3.48 -2.00 320.40 0.00e+00 6.089761e-03 1.266843e-03 2.156663e-03 -6.000000e+00 6.079885e-03 277.09 -2.00 20.00 -2.00 319.88 0.00e+00 3.297 0.001 302.00 328.00 3 4.4222e+00 1.0514e-02 4.2074e-02 -6.0000e+00 3.4476e-01 9.1586e-02 1.2966e-02 2.6614e-02 -6.0000e+00 3.7350e-01 -6.4369e-02 1.1846e-02 1.6868e-02 -6.0000e+00 2.2251e-01 1.3746e-02 6.0270e-03 7.9162e-03 -6.0000e+00 9.5257e-02 1.2389e-04 -1.2993e-03 2.0978e-04 1.1107e-04 -6.0000e+00 7.1976e-03 -2.5860e-02 1.3881e-04 12 9 8 11 16 0 75.10 22.78 0.47 -0.02586 -0.03562 14 2 1 5 0 3642.230 25.68 20.00 22.78 6.14 5.8 870.44 -105402 -39728 -16956 -44945 -99005 -43613 -120885 -45463 -90568 -33593 -74569 -76800 -66480 -16548 4520 -30577 44484 10940 -11505 -2215 -16121 -740 -7009 1801 1040 -8817 -12938 -11333 -16767 10458 3663 -8197 13574 -6830 2941 -6800 214 4872 6944 -1877 253 2013 -183 6605 -1101 1541 -2596 454 -694 148 7193 4792 1192 3921 2045 4992 1649 503 2743 -2553 2489 527 4919 1908 4755 1181 680 1006 -117 1922 1557 1750 1458 106 -629 -5296 -3643 -5464 -1857 -262 -3541 -2447 -692 -2381 305 88 -614 1050 412 1632 906 150 -468 -1914 129 -936 -715 369 1149 -747 -1205 -998 -109 -1245 -2633 -1251 -292 -228 489 2301 653 1129 90 -387 -1512 445 -63 605 1486 -762 -222 575 1066 205 654 339 616 -411 -300 -225 -518 -831 -418 368 -267 31 410 439 254 392 -330 -1063 -2004 -462 -170 -647 -2281 -553 -3412 -655 -2243 -503 -1761 -2035 -1915 -362 99 -1127 871 328 -464 -86 -734 -29 -299 74 45 -437 -678 -574 -889 446 190 -552 829 -543 208 -529 17 421 700 -242 36 299 -29 1117 -205 285 -508 88 -139 31 1518 1133 316 1081 601 1465 508 156 817 -801 773 182 1808 788 1968 493 278 417 -53 955 846 988 817 57 -315 -2517 -1590 -2430 -870 -139 -2224 -1702 -513 -1904 253 78 -572 986 387 1457 759 118 -353 -1492 107 -893 -775 441 1447 -948 -1445 -1096 -112 -1307 -2974 -1473 -360 -300 689 3473 1075 1907 151 -621 -2310 641 -91 913 2343 -1273 -368 925 1649 307 932 466 828 -581 -463 -380 -942 -1595 -833 767 -593 72 964 1046 601 892 -721 -2240 SS 20250108T143251.3Z 9139.606149 164 1 49.98 2 71.93 141.24 115.62 35.88 0.00 1 0.00 1 0 17 2.521e-01 1.321e-02 8.904e-02 3.298e-03 4.867439e-01 1.746361e-03 5.804198e-03 -6.000000e+00 1.506875e-01 223.72 -2.00 3.48 -2.00 319.49 0.00e+00 1.312864e-03 4.903416e-04 1.549079e-03 -6.000000e+00 6.548159e-03 277.09 -2.00 20.00 -2.00 318.95 0.00e+00 3.181 0.001 302.00 328.00 3 4.4393e+00 4.8899e-03 4.0561e-02 -6.0000e+00 3.7138e-01 3.8272e-02 5.7731e-03 2.5838e-02 -6.0000e+00 4.0229e-01 -2.3955e-02 4.7916e-03 1.3304e-02 -6.0000e+00 2.3967e-01 9.3459e-04 2.5209e-03 3.9880e-03 -6.0000e+00 1.0263e-01 1.4229e-04 -8.4645e-04 1.0148e-04 5.4333e-05 -6.0000e+00 7.7500e-03 -2.5563e-02 2.3749e-04 12 9 8 11 8 0 64.70 22.78 0.53 -0.02556 -0.03192 15 2 1 5 0 3331.590 25.68 20.00 22.78 6.50 5.7 872.49 -147319 53503 -17918 23640 -101037 19337 40356 -1169 -69480 -40676 -40714 -20863 72432 169752 -14875 13129 2028 -15096 36842 18988 15179 15248 -7694 92 -22372 3851 29672 9167 14390 -9714 3114 -4727 487 -3844 9183 12472 -14319 -200 -16 -724 -2541 655 -913 3223 2871 6036 4446 -443 4594 4556 3435 -2352 6005 3947 -898 -1719 -252 910 341 31 1230 2960 1201 1767 241 -1626 -1400 -1799 4034 3924 -238 773 801 -327 -322 -805 -3235 -3390 -1045 -2404 -1516 -4623 -330 410 -460 -1214 1075 712 258 2804 -249 -1639 -234 -2187 -953 245 564 1246 888 -283 -1261 -1654 -669 -879 -1076 -1362 -459 311 726 1317 1294 519 475 -328 -591 349 505 45 147 96 401 1089 1292 63 616 -878 473 -983 -283 117 -828 -642 -173 -357 -22 -157 407 891 -72 158 -19 -835 -6890 391 -288 249 -3455 211 376 -18 -2435 -1164 -1231 -564 908 982 -660 515 99 -951 1481 959 820 833 -549 6 -2122 296 1794 663 962 -856 269 -505 55 -483 998 1311 -2141 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