File name: Pandora75s1_EssexMD_20241231_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20250101T051600.1Z 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_20241231_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: 20241231 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 20241231T141441.4Z 9131.593534 96 1 53.13 2 74.48 138.78 83.58 134.07 0.00 1 0.00 1 0 17 3.992e-01 1.137e-02 2.234e-01 6.994e-03 4.886856e-01 3.824846e-03 5.805132e-03 -6.000000e+00 2.384477e-01 223.54 -2.00 3.48 -2.00 320.38 0.00e+00 1.323850e-04 1.356690e-03 1.692385e-03 -6.000000e+00 1.042525e-02 277.50 -2.00 20.00 -2.00 319.84 0.00e+00 3.670 0.001 302.00 328.00 3 4.2204e+00 1.1375e-02 4.4992e-02 -6.0000e+00 5.8732e-01 8.6139e-02 1.4044e-02 2.7631e-02 -6.0000e+00 6.3657e-01 -5.0421e-02 1.2902e-02 1.3522e-02 -6.0000e+00 3.7923e-01 4.9066e-03 6.5728e-03 4.0436e-03 -6.0000e+00 1.6353e-01 1.1096e-04 -1.6855e-03 2.2951e-04 5.6387e-05 -6.0000e+00 1.2349e-02 -2.7182e-02 9.3943e-05 12 9 8 11 16 0 99.79 23.00 0.58 -0.02718 -0.03985 14 2 1 5 0 3794.270 25.90 20.00 23.00 15.56 5.7 933.17 900000 -96104 -11200 -12220 -82394 12530 266476 -77634 220677 -37874 -32353 -33897 -68398 209339 77449 -22513 39767 7280 67127 -14199 8947 3588 37395 -22414 39760 -15090 1448 -8416 -3286 -18483 -25882 -8549 -1756 -4908 -15451 -6517 -15445 703 -9836 13810 4122 -6156 8442 -2537 -684 1256 7731 2088 3975 -3693 3329 4962 -3165 7254 892 4304 -2630 4036 -2558 2223 -61 3078 5225 4705 4498 -1883 31 -3246 1554 1719 2163 1341 726 -351 -2982 1766 -6631 -1858 -4059 -779 -2337 -1596 -2210 -569 441 -27 1169 -616 -95 -268 1187 1961 736 -1062 -1342 523 -1172 1245 1416 474 -1628 -603 -2382 -1717 -1850 -210 -846 5 1258 152 1287 594 -106 -595 1104 -738 -758 607 567 -141 848 -159 420 799 205 -271 -251 -280 739 -25 -345 -785 -124 -412 -407 -113 816 597 -103 204 -290 -541 900000 -2020 -108 -118 -1634 93 1817 -1684 1505 -681 -582 -672 -2247 1427 864 -795 838 230 1248 -625 322 138 1066 -1250 1281 -889 74 -459 -165 -1111 -1861 -588 -126 -386 -1331 -513 -1445 65 -1225 1609 595 -1057 1308 -448 -120 217 1386 400 764 -803 731 1174 -881 1954 270 1306 -875 1255 -834 685 -20 1049 1927 1896 1868 -810 13 -1401 691 857 1174 766 415 -193 -1553 795 -3020 -802 -1940 -412 -1439 -1093 -1654 -445 366 -24 1071 -589 -90 -245 996 1520 551 -821 -1130 488 -1262 1458 1756 587 -1940 -654 -2483 -1804 -2068 -244 -1046 6 1750 233 2092 1002 -177 -953 1636 -1070 -1103 908 895 -233 1388 -256 654 1190 293 -375 -339 -394 1121 -42 -621 -1494 -245 -858 -896 -260 1905 1418 -245 464 -635 -1138 SS 20241231T142028.3Z 9131.597550 99 1 50.39 2 73.75 139.94 82.80 135.04 0.00 1 0.00 1 0 17 1.635e-01 1.053e-02 1.691e-01 6.536e-03 4.680531e-01 3.569166e-03 5.565752e-03 -6.000000e+00 9.766034e-02 223.54 -2.00 3.48 -2.00 320.23 0.00e+00 3.600562e-03 1.207581e-03 1.321678e-03 -6.000000e+00 4.513979e-03 277.50 -2.00 20.00 -2.00 319.70 0.00e+00 3.515 0.001 302.00 328.00 3 4.2563e+00 1.0461e-02 4.2523e-02 -6.0000e+00 2.4066e-01 1.0890e-01 1.2715e-02 2.4531e-02 -6.0000e+00 2.6074e-01 -6.5699e-02 1.1347e-02 1.3818e-02 -6.0000e+00 1.5536e-01 8.7680e-03 5.8309e-03 5.3802e-03 -6.0000e+00 6.6896e-02 1.2493e-04 -1.4479e-03 2.1525e-04 7.3419e-05 -6.0000e+00 5.1035e-03 -2.8665e-02 1.7104e-04 12 9 8 11 24 0 5.11 23.01 0.43 -0.02866 -0.03954 14 2 1 5 0 3598.800 25.90 20.01 23.01 15.75 5.7 934.43 -27931 -56047 15040 900000 -17589 96941 17634 -39396 -107843 17008 900000 11899 -5296 -28318 46533 -14740 2265 -14754 18748 -8105 592 -9456 8879 10397 -1467 25394 -22528 -12803 -29710 -4122 -15358 16932 -3066 -7274 -14600 1772 2477 8087 626 4344 4911 -4526 661 -2042 8886 1221 10037 -268 -3183 1315 -2209 3477 1054 3167 2305 7707 1549 1225 -715 392 2723 1304 6949 857 54 121 -476 -33 -1042 923 -693 -222 -734 1051 -1142 -2070 -3730 -2348 -4339 -3281 -1085 -1582 -3060 -621 -317 1343 2069 -292 1597 1516 1059 98 -1467 -1801 -1394 -485 -349 1566 1402 -754 -1040 -886 -581 -1179 -935 -2295 -653 951 564 852 680 1359 516 -669 -632 68 206 312 252 381 -244 554 216 752 27 -594 -509 14 -259 -667 90 -640 139 -23 -64 137 -450 501 243 73 -493 159 -326 -1012 144 900000 -234 618 163 -707 -4247 207 900000 172 -107 -886 835 -572 83 -692 673 -399 27 -487 391 476 -80 1103 -1605 -808 -2168 -241 -1121 1020 -252 -661 -1404 144 215 768 76 601 757 -820 119 -388 1687 254 1925 -58 -718 296 -555 899 302 948 730 2381 518 410 -240 129 909 478 2665 380 25 54 -206 -14 -494 480 -400 -133 -440 590 -605 -1002 -1706 -1050 -2140 -1831 -677 -1110 -2360 -497 -269 1194 1915 -284 1520 1389 909 79 -1141 -1418 -1185 -460 -375 1841 1751 -953 -1242 -973 -600 -1241 -1042 -2742 -811 1237 794 1298 1112 2271 855 -1067 -945 97 294 464 397 622 -402 887 336 1118 38 -821 -687 19 -394 -1110 158 -1199 268 -46 -139 309 -1047 1172 565 164 -1067 327 SS 20241231T143905.2Z 9131.610477 108 1 52.66 2 71.53 143.77 80.40 138.28 0.00 1 0.00 1 0 17 1.025e-01 9.990e-03 2.491e-02 2.598e-03 4.188148e-01 1.369641e-03 5.021093e-03 -6.000000e+00 6.126363e-02 223.54 -2.00 3.48 -2.00 318.94 0.00e+00 1.182024e-03 3.200080e-04 1.022474e-03 -6.000000e+00 2.667582e-03 277.50 -2.00 20.00 -2.00 318.36 0.00e+00 3.116 0.000 302.00 328.00 3 4.2457e+00 3.7351e-03 3.7662e-02 -6.0000e+00 1.5091e-01 4.5422e-02 4.2889e-03 2.1642e-02 -6.0000e+00 1.6344e-01 -2.9331e-02 3.1794e-03 1.0953e-02 -6.0000e+00 9.7412e-02 4.3384e-03 1.6840e-03 3.2414e-03 -6.0000e+00 4.1770e-02 2.0197e-04 -1.0308e-03 8.1346e-05 4.0922e-05 -6.0000e+00 3.1513e-03 -2.9402e-02 2.2794e-04 12 9 8 11 40 0 58.38 23.06 0.70 -0.02940 -0.03715 19 3 1 5 0 2771.010 25.90 20.01 23.06 16.97 5.8 943.68 -78720 -17481 -14010 -6848 -54396 -759 -2378 -1061 -29417 -10055 -32152 -22624 12995 21881 -5141 -118 -2019 -9973 18972 6162 9403 11118 418 3150 -4566 -289 13435 -424 1535 -4013 -2975 38 -6472 2079 -7566 3928 -7060 -1859 1489 -1591 -618 -1351 623 685 3043 2574 1853 -552 70 3411 -659 1642 3471 3420 -1822 349 1013 -749 -417 -659 551 1676 2880 1068 584 -2413 -694 -157 1603 4168 -458 879 484 -489 100 224 -2103 -2069 -1408 -1842 -749 -1608 -1420 -1371 -183 -637 445 357 773 1754 -474 -160 -693 -1765 -1574 438 267 544 380 64 -1039 -1509 44 -875 -996 -1186 -354 130 700 915 1439 715 39 73 -132 224 16 122 377 390 372 417 956 727 490 -754 -188 -966 -316 -96 -285 -803 -218 -107 -341 -37 260 1060 -205 190 -413 -462 -3752 -571 -472 -212 -2508 -20 -65 -32 -1304 -397 -1653 -1129 523 964 -353 -9 -170 -978 1480 571 867 1017 44 342 -569 -36 1487 -52 179 -502 -402 6 -1125 350 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