File name: Pandora177s1_WestportCT_20240222_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T043517.2Z 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_20240222_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: 20240222 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 20240222T154526.9Z 8818.656562 387 1 7.46 2 54.66 155.19 118.39 357.99 0.00 1 0.00 1 0 25 2.552e-02 1.186e-02 1.154e-02 3.066e-03 3.105850e-01 1.584283e-03 3.692035e-03 -6.000000e+00 1.506757e-02 225.21 -2.00 3.51 -2.00 317.57 0.00e+00 1.925070e-03 2.464079e-04 4.218594e-04 -6.000000e+00 6.500218e-04 275.59 -2.00 20.00 -2.00 317.00 0.00e+00 1.724 0.000 302.00 328.00 3 4.0650e+00 4.1682e-03 2.3346e-02 -6.0000e+00 3.7294e-02 2.6037e-02 4.6845e-03 1.5555e-02 -6.0000e+00 4.0444e-02 -9.8017e-04 2.9125e-03 7.8790e-03 -6.0000e+00 2.4033e-02 -5.7673e-03 1.4728e-03 2.6732e-03 -6.0000e+00 1.0269e-02 1.0600e-03 6.9338e-04 9.3534e-05 2.8092e-05 -6.0000e+00 7.5001e-04 2.7570e-03 0.0000e+00 12 9 9 12 1 1 99.79 23.06 0.41 0.00276 0.00797 7 12 1 5 0 931.390 26.41 20.03 23.06 9.36 22.8 925.07 -2139 901 1274 -10331 -7955 -7800 -3369 -239 -9828 -7388 -9887 -8068 -3637 1512 -1469 -1724 2656 1617 2525 2035 2466 -203 2873 1013 1264 -451 -2411 -2197 -1420 -1065 399 3077 -1115 -3691 -5601 -3069 -2702 -1084 -243 -929 -951 858 886 746 2068 -409 -168 -146 -1444 1715 663 814 1602 1587 635 1315 -44 -694 -684 349 1397 1911 2979 2019 406 -1266 -1523 -453 1981 1639 1491 1935 1205 1113 261 -1886 -2862 -3170 -2013 -2563 -2312 -3027 -3053 -1987 -7 491 993 1711 1581 1361 299 -1174 -1672 -527 -732 111 674 951 208 -197 -1587 -1689 -557 -274 -1517 -1465 -1198 -737 865 1781 1124 1190 268 -261 -904 -429 22 486 1224 304 500 1289 1064 899 597 -797 -897 451 82 -91 -903 -1139 -260 60 82 251 612 695 473 -110 -420 -1669 -183 81 113 -964 -666 -639 -285 -22 -1078 -813 -1135 -982 -489 227 -260 -333 520 335 541 453 552 -47 658 250 298 -110 -584 -558 -346 -264 106 799 -322 -1090 -1622 -877 -860 -404 -106 -462 -469 435 459 390 1072 -217 -88 -75 -752 892 371 489 1011 1044 434 912 -31 -489 -475 242 1005 1485 2287 1633 327 -967 -1195 -358 1551 1431 1394 1842 1134 994 216 -1556 -2209 -2447 -1670 -2231 -2246 -2997 -3213 -2186 -8 558 1175 2039 1854 1629 334 -1215 -1765 -558 -782 131 818 1250 285 -262 -1976 -2088 -669 -345 -1924 -1959 -1670 -1074 1239 2693 1778 1874 406 -369 -1278 -582 30 699 1743 455 751 1874 1596 1295 822 -1058 -1163 597 117 -132 -1367 -1770 -413 100 136 432 1070 1227 831 -188 -690 -2851 SS 20240222T155839.1Z 8818.665730 394 1 5.02 2 53.69 159.01 118.44 1.36 0.00 1 0.00 1 0 17 2.053e-02 1.165e-02 6.390e-03 2.049e-03 3.068728e-01 1.064355e-03 3.649536e-03 -6.000000e+00 1.212289e-02 225.21 -2.00 3.51 -2.00 317.16 0.00e+00 1.489675e-03 1.470153e-04 3.174773e-04 -6.000000e+00 5.230120e-04 275.59 -2.00 20.00 -2.00 316.58 0.00e+00 1.684 0.000 302.00 328.00 3 3.1172e+00 2.7786e-03 2.2902e-02 -6.0000e+00 3.0006e-02 2.1930e-02 3.1122e-03 1.5331e-02 -6.0000e+00 3.2540e-02 -3.3619e-03 1.8896e-03 7.6908e-03 -6.0000e+00 1.9337e-02 -4.5459e-03 9.3764e-04 2.4383e-03 -6.0000e+00 8.2614e-03 2.8701e-03 4.4189e-04 6.1938e-05 2.6362e-05 -6.0000e+00 6.0348e-04 3.1245e-03 0.0000e+00 12 9 9 12 1 1 98.73 23.07 0.41 0.00312 0.00645 11 27 1 5 0 418.060 26.41 19.97 23.07 9.72 22.7 926.91 1833 -645 -1178 -6124 -984 -6790 -6208 -4297 -3325 -6912 -6988 -4129 -2514 -1286 526 427 940 2162 1839 3476 1648 2574 2653 2503 1287 -112 -1596 -2061 -1457 -581 1060 1281 374 -3516 -5591 -4466 -4101 -913 -318 -334 -425 111 310 -160 537 563 275 53 -202 490 1193 1361 1174 353 523 1804 74 -41 -300 363 1170 2719 2999 1817 -188 -1474 -1617 -415 2033 1651 1401 1691 610 830 -290 -1897 -2736 -3121 -1698 -2282 -2350 -2798 -2730 -1639 -208 371 1506 1183 1891 1651 192 -828 -1838 -693 -432 -281 887 1343 293 -79 -1365 -2025 -830 -593 -1396 -1944 -967 -505 917 1285 1384 757 459 40 -557 -145 330 210 823 334 723 629 1175 848 781 -556 -350 630 -155 -295 -1140 -1090 -524 -28 217 130 706 689 474 -146 -463 -1489 191 -74 -136 -691 -97 -695 -682 -521 -433 -960 -987 -610 -421 -226 104 92 212 505 449 862 421 652 690 690 379 -34 -480 -593 -402 -161 314 418 131 -1280 -1998 -1596 -1494 -384 -157 -173 -238 65 184 -96 321 335 162 31 -117 291 750 852 781 247 376 1307 55 -30 -218 263 884 2193 2435 1557 -161 -1193 -1327 -342 1676 1520 1297 1597 572 786 -255 -1527 -2202 -2510 -1461 -2083 -2252 -2934 -2861 -1797 -240 427 1795 1434 2238 1973 215 -909 -1918 -725 -459 -332 1084 1774 383 -106 -1713 -2508 -998 -746 -1785 -2638 -1286 -702 1338 1892 2116 1161 673 58 -749 -197 455 289 1198 483 1049 939 1683 1169 1084 -743 -455 840 -212 -434 -1672 -1636 -808 -46 350 218 1208 1190 815 -245 -746 -2458 SS 20240222T160245.1Z 8818.668578 397 1 35.64 2 53.42 160.22 118.43 2.40 0.00 1 0.00 1 0 17 2.153e-02 1.079e-02 3.236e-03 7.121e-04 3.031969e-01 3.694937e-04 3.640096e-03 -6.000000e+00 1.271412e-02 225.21 -2.00 3.51 -2.00 318.04 0.00e+00 1.932446e-03 6.355670e-05 5.792905e-04 -6.000000e+00 5.484826e-04 275.59 -2.00 20.00 -2.00 317.45 0.00e+00 1.674 0.000 302.00 328.00 3 2.4963e+00 9.8181e-04 2.2777e-02 -6.0000e+00 3.1469e-02 1.7015e-02 1.1074e-03 1.5249e-02 -6.0000e+00 3.4126e-02 -1.0021e-03 7.1251e-04 7.8629e-03 -6.0000e+00 2.0279e-02 -7.1003e-03 3.6600e-04 2.7301e-03 -6.0000e+00 8.6649e-03 5.4353e-03 5.2458e-04 2.2072e-05 2.8510e-05 -6.0000e+00 6.3285e-04 2.6118e-03 0.0000e+00 12 9 9 12 1 1 99.99 23.07 0.31 0.00261 0.00655 332 105 1 5 0 107.000 26.41 19.98 23.07 9.93 22.9 929.00 884 -454 -3042 -5640 -6937 -6124 -4690 -1528 -4460 -6549 -9865 -4971 -4728 -1964 373 -481 991 1320 2437 2189 1053 1070 775 1240 -85 -681 -1884 -1782 -1391 -460 1025 1207 269 -3880 -5857 -4841 -3300 -1161 -289 -1042 -930 -190 187 281 1185 703 283 -50 -676 521 1143 1293 1381 1135 718 1186 283 -523 -349 194 1280 2656 3063 2284 46 -912 -1201 -275 2141 1360 1170 1416 1019 984 -202 -1681 -2461 -3238 -1909 -2285 -2325 -2428 -2903 -1493 -366 518 1369 1312 1608 1125 463 -994 -1590 -578 -532 -85 788 1238 373 -606 -1538 -1853 -741 -376 -1734 -1781 -1147 -606 931 1297 1221 678 389 -306 -440 -265 153 276 933 372 688 754 1260 657 696 -763 -549 456 -79 -466 -1048 -1177 -411 44 302 138 799 765 479 -28 -504 -1331 61 -34 -234 -415 -475 -407 -331 -117 -382 -588 -930 -480 -526 -249 53 -75 161 223 425 395 194 197 147 247 -18 -148 -405 -365 -274 -91 218 282 68 -1014 -1502 -1242 -930 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