File name: Pandora177s1_WestportCT_20230908_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T141425.8Z 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_20230908_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: 20230908 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 20230908T150019.8Z 8651.625230 387 1 4.08 2 43.25 137.55 38.08 263.88 0.00 1 0.00 1 0 25 1.672e-02 1.320e-02 5.640e-03 3.486e-03 1.796818e-01 1.861246e-03 2.194689e-03 -6.000000e+00 1.007042e-02 229.84 -2.00 3.51 -2.00 315.39 0.00e+00 1.036697e-03 1.742063e-04 1.812139e-04 -6.000000e+00 4.488933e-04 288.34 -2.00 20.00 -2.00 314.69 0.00e+00 1.371 0.000 302.00 328.00 3 4.2671e+00 4.7963e-03 1.6556e-02 -6.0000e+00 2.5089e-02 3.9459e-02 5.3077e-03 9.2227e-03 -6.0000e+00 2.7034e-02 -4.4600e-03 3.0448e-03 4.4552e-03 -6.0000e+00 1.6132e-02 -6.6356e-03 1.3722e-03 1.2714e-03 -6.0000e+00 6.9292e-03 1.5567e-03 4.0353e-04 1.0562e-04 1.7310e-05 -6.0000e+00 4.9182e-04 -1.0276e-02 0.0000e+00 12 9 9 12 1 1 95.85 23.12 0.44 -0.01028 -0.00724 3 11 1 5 0 1018.970 26.51 19.98 23.12 34.21 22.3 1072.39 1859 816 -93 -2039 -3727 -1151 1060 -80 -1906 -3620 -4357 -4292 629 1718 1430 -109 487 970 1614 2491 463 1595 1251 1878 1098 1614 20 -2393 -949 -1783 508 1449 457 -3184 -5441 -5677 -4481 -803 -856 652 314 349 525 647 1041 1074 -838 -887 -811 97 830 1167 830 891 972 1354 742 -604 -286 -541 1417 2508 2948 2755 310 -1248 -1386 -1201 1558 1426 587 1194 1553 1103 251 -1774 -2416 -3086 -2042 -2555 -2257 -2823 -2289 -1405 31 -451 1056 1394 1713 1142 670 -1342 -1535 -1529 -654 -848 843 1372 777 52 -1732 -2031 -1287 -410 -1907 -1689 -853 -1154 668 1461 1673 1658 1049 -31 -130 -823 -62 -343 1126 413 1124 614 1388 1115 953 141 -1384 537 349 -233 -639 -1258 -496 -249 503 60 446 896 515 -104 -920 -1631 518 243 -28 -569 -956 -275 262 -22 -585 -1151 -1378 -1394 213 604 558 -46 210 427 724 1137 218 738 587 912 562 834 10 -1174 -432 -799 231 698 233 -1664 -2772 -2883 -2466 -468 -551 465 242 263 401 495 791 806 -662 -676 -601 72 633 940 662 734 817 1152 639 -523 -244 -465 1242 2329 2746 2652 297 -1179 -1207 -1031 1405 1350 601 1254 1611 1103 235 -1614 -2133 -2642 -1821 -2393 -2206 -3005 -2429 -1558 36 -537 1303 1748 2117 1359 779 -1516 -1598 -1566 -701 -944 1014 1685 995 65 -2170 -2376 -1472 -488 -2344 -2190 -1143 -1537 916 2089 2456 2409 1454 -42 -163 -1039 -78 -434 1505 560 1547 838 1909 1472 1200 178 -1710 659 454 -306 -872 -1751 -701 -349 737 93 671 1361 786 -157 -1415 -2450 SS 20230908T153339.6Z 8651.648375 406 1 17.43 2 39.49 148.76 44.20 269.57 0.00 1 0.00 1 0 17 1.625e-02 1.262e-02 5.086e-03 2.750e-03 1.726698e-01 1.463524e-03 2.102062e-03 -6.000000e+00 9.784102e-03 229.83 -2.00 3.51 -2.00 315.95 0.00e+00 6.212368e-04 1.534662e-04 2.341739e-04 -6.000000e+00 4.364325e-04 288.34 -2.00 20.00 -2.00 315.19 0.00e+00 1.294 0.000 302.00 328.00 3 5.1069e+00 3.7981e-03 1.5713e-02 -6.0000e+00 2.4375e-02 4.9335e-02 4.2130e-03 8.8118e-03 -6.0000e+00 2.6270e-02 -4.8444e-03 2.4229e-03 4.2842e-03 -6.0000e+00 1.5676e-02 -6.2921e-03 1.1093e-03 1.1926e-03 -6.0000e+00 6.7281e-03 7.3413e-04 6.3317e-05 8.4586e-05 1.6619e-05 -6.0000e+00 4.7823e-04 -5.5238e-03 0.0000e+00 12 9 9 12 1 1 99.99 23.08 0.36 -0.00552 -0.00505 10 7 1 5 0 1583.990 26.41 19.98 23.08 34.98 22.5 1079.34 2747 2493 -934 -2428 -1723 -2756 2308 -916 906 -5578 -3458 -2745 415 -762 -32 498 -695 1969 570 2395 -618 850 485 2249 1758 569 -150 -1117 1297 -714 1370 979 1540 -2781 -5607 -4328 -3825 -598 -450 -633 -777 -295 184 29 870 90 -436 -1145 -631 -732 1359 842 1313 809 443 1960 98 -170 -598 454 956 2466 3007 2302 643 -1607 -1850 -1399 1582 902 930 1603 1279 1517 -455 -850 -2483 -3242 -2257 -1622 -2813 -2806 -2857 -1676 217 50 1250 1258 2139 1265 285 -733 -2175 -444 -729 -56 169 1398 637 -181 -1513 -2282 -765 -838 -1640 -1977 -887 -1009 1090 1622 1700 1050 703 248 -369 -641 -691 119 987 535 661 472 1142 541 1151 -642 -829 115 -32 -145 -969 -863 -494 84 309 81 688 781 833 -123 -565 -1950 636 610 -232 -565 -360 -557 470 -215 226 -1507 -902 -729 117 -244 -11 184 -266 751 226 957 -257 346 201 952 782 259 -67 -471 501 -274 533 408 666 -1241 -2450 -1859 -1795 -320 -283 -416 -549 -215 136 21 636 66 -309 -786 -419 -488 924 609 990 632 355 1572 81 -139 -484 365 797 2166 2798 2220 610 -1429 -1517 -1128 1337 851 941 1661 1317 1495 -423 -715 -2074 -2627 -1905 -1401 -2721 -2935 -3161 -1803 244 60 1566 1607 2675 1526 320 -805 -2226 -439 -764 -64 196 1733 823 -230 -1806 -2743 -893 -1028 -2028 -2591 -1198 -1417 1573 2441 2463 1613 1027 334 -461 -821 -892 149 1319 759 958 676 1571 717 1545 -831 -1033 144 -42 -190 -1316 -1187 -692 122 473 129 1123 1292 1380 -201 -899 -3052 SS 20230908T153734.8Z 8651.651097 409 1 9.57 2 39.11 150.18 44.92 270.19 0.00 1 0.00 1 0 17 1.549e-02 1.224e-02 2.047e-03 1.305e-03 1.705104e-01 6.979890e-04 2.087718e-03 -6.000000e+00 9.327408e-03 229.83 -2.00 3.51 -2.00 315.27 0.00e+00 8.116873e-04 6.382103e-05 1.539534e-04 -6.000000e+00 4.161046e-04 288.34 -2.00 20.00 -2.00 314.57 0.00e+00 1.288 0.000 302.00 328.00 3 3.4902e+00 1.7967e-03 1.5616e-02 -6.0000e+00 2.3237e-02 3.7120e-02 1.9865e-03 8.7705e-03 -6.0000e+00 2.5044e-02 -5.8906e-03 1.1409e-03 4.2523e-03 -6.0000e+00 1.4945e-02 -6.6873e-03 5.1092e-04 1.1896e-03 -6.0000e+00 6.4135e-03 3.7550e-03 -1.7891e-04 3.9607e-05 1.7318e-05 -6.0000e+00 4.5596e-04 -4.8663e-03 0.0000e+00 12 9 9 12 1 1 99.78 23.07 0.37 -0.00487 -0.00621 21 26 1 5 0 434.660 26.41 20.00 23.07 35.25 22.5 1081.10 3108 1070 978 -3012 -2605 -2578 -433 661 -370 -2419 -4352 -3092 -939 530 557 876 -253 1697 1485 2159 546 398 1497 1871 2312 1283 178 -1201 -355 -528 819 1306 1131 -3178 -5530 -4272 -4192 -1505 -427 -824 -463 -247 85 233 924 267 -183 -722 -1167 58 908 948 1000 952 698 1300 541 -76 -346 -190 1049 2202 2857 2212 55 -1270 -1256 -1161 1537 1481 1013 1438 1265 1484 196 -1246 -2844 -3075 -2028 -2076 -2427 -2512 -2696 -1557 -327 451 1171 1206 1713 1426 379 -666 -1653 -450 -734 -223 459 1241 726 -512 -1507 -2207 -1044 -753 -1711 -1782 -947 -845 799 1582 1639 1244 717 276 -385 -422 -99 11 800 536 707 680 1150 689 741 -582 -712 393 -12 -219 -669 -914 -400 -76 339 153 535 797 406 -50 -470 -1606 912 338 304 -898 -699 -662 -115 194 -119 -803 -1453 -1044 -339 212 226 374 -112 756 680 1007 261 189 712 923 1188 675 92 -590 -162 -235 373 630 571 -1657 -2810 -2133 -2295 -944 -287 -626 -350 -193 67 185 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