File name: Pandora177s1_WestportCT_20240916_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240917T053628.2Z 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: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20240916_L1_smca1c5d20230401p1-8.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: 20240916 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]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 20240916T121029.3Z 9025.507283 202 1 12.18 2 73.04 102.11 129.98 287.73 0.00 1 0.00 1 0 25 7.387e-02 1.114e-02 6.155e-02 3.993e-03 4.160673e-01 2.098039e-03 5.068509e-03 -6.000000e+00 4.420438e-02 229.03 -2.00 3.51 -2.00 319.60 0.00e+00 1.538379e-03 6.134070e-04 2.155400e-03 -6.000000e+00 1.977209e-03 287.57 -2.00 20.00 -2.00 318.84 0.00e+00 3.375 0.001 302.00 328.00 3 3.1161e+00 6.0470e-03 4.0918e-02 -6.0000e+00 1.0993e-01 -2.1945e-02 7.1825e-03 2.4512e-02 -6.0000e+00 1.1869e-01 1.2479e-02 5.5990e-03 1.1870e-02 -6.0000e+00 7.0837e-02 -1.2846e-02 2.9171e-03 3.1601e-03 -6.0000e+00 3.0317e-02 5.0311e-04 7.5375e-04 1.2407e-04 4.4550e-05 -6.0000e+00 2.1756e-03 1.7428e-02 0.0000e+00 12 9 9 12 1 1 39.29 22.98 0.42 0.01743 0.02309 12 12 1 5 0 936.020 26.32 20.00 22.98 18.13 25.6 974.50 2233 -14344 12365 -37822 10637 -10272 -10218 -19657 -23628 -14822 -46572 -7765 -20635 -2556 -4821 -540 12686 -13832 5537 10416 -4151 -8390 4352 7112 -5903 627 -4145 -8635 -444 4609 2274 367 -4708 -9436 -14314 -4063 -7429 -2769 1108 -1306 -951 1012 2108 -70 2212 1087 482 1464 -1019 1126 658 623 2322 1891 289 1493 482 -645 386 738 2089 3951 3834 1774 310 -1779 -2071 -56 1652 1350 920 1491 836 842 -1162 -2256 -3362 -3461 -974 -3007 -1673 -2304 -2358 -897 452 823 1431 949 2186 1967 -26 -454 -1918 -948 -1009 -413 1264 1349 564 -578 -1592 -2225 -400 -1084 -1725 -1533 -1320 -161 1318 870 1368 384 178 -167 -602 -612 47 572 1568 529 743 797 1157 92 210 -742 -1125 902 -503 -342 -1000 -1539 -588 -57 333 -15 1128 661 678 -152 -314 -911 36 -296 197 -942 153 -184 -203 -490 -672 -404 -1831 -233 -844 -105 -238 -29 637 -969 338 633 -297 -637 305 523 -529 54 -368 -777 -36 380 217 40 -590 -1249 -1939 -512 -1105 -475 219 -302 -239 263 558 -19 601 301 135 408 -298 340 217 224 882 761 123 648 214 -286 167 323 957 1954 1893 944 166 -923 -1045 -29 936 857 628 1034 570 542 -699 -1246 -1950 -2062 -573 -2073 -1287 -1960 -2148 -856 454 806 1456 983 2194 2055 -26 -417 -1722 -877 -1034 -435 1468 1712 748 -749 -1918 -2495 -433 -1244 -2130 -1996 -1803 -231 2015 1333 2190 623 279 -267 -907 -900 71 900 2391 842 1176 1225 1855 144 313 -1069 -1609 1334 -826 -561 -1739 -2786 -1102 -112 642 -30 2297 1364 1385 -303 -641 -1809 SS 20240916T122154.4Z 9025.515213 209 1 49.27 2 70.95 104.15 131.88 290.16 0.00 1 0.00 1 0 17 7.624e-02 1.232e-02 6.736e-02 4.914e-03 3.820718e-01 2.618081e-03 4.989318e-03 -6.000000e+00 4.562345e-02 229.03 -2.00 3.51 -2.00 319.80 0.00e+00 4.289816e-03 7.959454e-04 2.623475e-03 -6.000000e+00 2.040679e-03 287.57 -2.00 20.00 -2.00 319.05 0.00e+00 3.026 0.000 302.00 328.00 3 4.3668e+00 7.6134e-03 3.7433e-02 -6.0000e+00 1.1346e-01 1.1755e-02 9.0565e-03 2.3204e-02 -6.0000e+00 1.2250e-01 -6.2093e-03 7.0133e-03 1.2471e-02 -6.0000e+00 7.3111e-02 -7.2204e-03 3.6239e-03 4.1317e-03 -6.0000e+00 3.1290e-02 2.0524e-04 3.6359e-04 1.5696e-04 6.2999e-05 -6.0000e+00 2.2454e-03 1.7409e-02 0.0000e+00 12 8 8 10 0 0 99.26 22.98 0.34 0.01741 0.02014 26 6 1 5 0 1894.850 26.32 19.99 22.98 18.68 25.7 978.66 -8082 2566 -6119 -26313 -50599 -22069 4045 20956 -24331 -4179 -10375 -23431 -15886 -21222 -13099 -4038 1155 19320 -1295 12696 -7999 -5219 -8422 442 -3695 3186 -10577 4277 9616 1429 -1721 -5081 824 -7334 3081 -6143 -2259 1093 -4148 -37 -4342 997 -1585 2653 2033 1432 2596 -492 -644 2029 2820 2164 3134 22 562 3400 818 -1033 124 -2204 306 2108 3794 2787 -636 -1692 1015 -351 3216 500 1451 1111 1308 488 -2138 -1862 -3036 -2516 -3884 -2854 -2347 -2986 -1954 -1938 -212 1495 1735 2041 2219 1307 965 -2078 -1527 -1535 -1442 264 429 1758 206 -1081 -1937 -2181 -1515 -897 -1955 -1877 -140 -391 1925 2137 1559 800 85 -520 -95 -127 -561 373 674 197 127 684 922 815 472 -974 -1127 -232 -399 -411 -1045 -1571 -857 -87 218 348 766 1139 1281 76 -1016 -916 -169 53 -138 -684 -1559 -506 78 380 -749 -109 -298 -858 -647 -1104 -735 -231 68 1005 -87 773 -608 -388 -666 34 -311 255 -956 323 684 116 -163 -560 92 -894 328 -734 -293 164 -778 -7 -1004 230 -388 634 495 354 683 -134 -178 573 853 715 1094 8 218 1314 327 -416 49 -903 130 964 1867 1458 -341 -864 485 -176 1728 308 946 742 853 303 -1249 -983 -1525 -1282 -2222 -1849 -1706 -2393 -1653 -1739 -200 1475 1787 2124 2263 1281 879 -1796 -1256 -1305 -1348 273 496 2189 270 -1388 -2310 -2413 -1638 -1012 -2385 -2418 -186 -552 2861 3409 2619 1358 139 -801 -137 -178 -807 562 1075 327 211 1099 1428 1215 675 -1349 -1541 -331 -620 -692 -1855 -2894 -1633 -173 459 705 1582 2367 2839 165 -2128 -1853 SS 20240916T122623.7Z 9025.518329 212 1 6.51 2 70.13 104.96 132.62 291.15 0.00 1 0.00 1 0 25 4.267e-02 1.181e-02 2.313e-02 3.014e-03 3.663458e-01 1.579929e-03 4.506625e-03 -6.000000e+00 2.553769e-02 229.03 -2.00 3.51 -2.00 318.75 0.00e+00 2.701254e-03 3.529464e-04 1.518928e-03 -6.000000e+00 1.142151e-03 287.57 -2.00 20.00 -2.00 317.95 0.00e+00 2.910 0.000 302.00 328.00 3 2.7119e+00 4.3321e-03 3.4996e-02 -6.0000e+00 6.3509e-02 -4.4428e-03 4.9704e-03 1.9729e-02 -6.0000e+00 6.8567e-02 2.3449e-03 3.4339e-03 1.0007e-02 -6.0000e+00 4.0921e-02 -7.4694e-03 1.7986e-03 3.0882e-03 -6.0000e+00 1.7518e-02 1.2391e-03 6.4137e-04 9.2548e-05 3.6582e-05 -6.0000e+00 1.2565e-03 1.5834e-02 0.0000e+00 12 9 9 12 1 1 98.41 22.98 0.52 0.01583 0.02065 12 22 1 5 0 500.470 26.32 20.00 22.98 18.91 25.7 980.19 -21244 -4385 -12403 -200 -16066 -12008 -1541 -7562 585 -23084 -11695 -15666 382 -6006 751 -1773 -1947 5179 -2849 1702 -1645 553 -3778 1024 -481 693 -3079 -5217 -3289 -3199 -1134 -1347 707 -5532 -5402 -3126 -4452 -1275 412 1007 -1086 881 170 1670 1620 146 723 -674 -677 -333 2237 958 1919 1486 2190 1846 178 -484 -1011 858 1434 3277 2707 3302 -298 -1421 -1265 -457 2184 1207 1813 1787 1312 330 -698 -1866 -3555 -3600 -3047 -2101 -2385 -2367 -2886 -891 41 393 1457 1091 1523 712 84 -1606 -1847 -1237 -701 -70 831 1542 644 -603 -1766 -1871 -650 -530 -1558 -1543 -789 -549 1127 1487 1828 928 343 -156 -795 -598 -111 533 873 727 1019 1037 1504 459 475 -1230 -889 312 -161 -353 -1329 -1833 -446 106 -25 29 636 980 529 185 -228 -1199 -924 -175 -539 -7 -633 -452 -57 -336 26 -1343 -629 -971 24 -480 65 -174 -206 542 -340 202 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