File name: Pandora177s1_WestportCT_20230830_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T135927.5Z 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_20230830_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: 20230830 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 20230830T152506.5Z 8642.642436 377 1 17.31 2 37.72 142.34 150.17 323.82 0.00 1 0.00 1 0 17 1.746e-02 1.269e-02 6.061e-03 3.484e-03 1.617691e-01 1.855656e-03 1.978483e-03 -6.000000e+00 1.054510e-02 230.59 -2.00 3.51 -2.00 315.72 0.00e+00 7.385200e-04 1.866396e-04 1.875698e-04 -6.000000e+00 4.703828e-04 289.03 -2.00 20.00 -2.00 314.97 0.00e+00 1.263 0.000 302.00 328.00 3 4.3989e+00 4.8075e-03 1.5178e-02 -6.0000e+00 2.6313e-02 5.3896e-02 5.3226e-03 8.3499e-03 -6.0000e+00 2.8339e-02 -8.4254e-03 3.0657e-03 4.0394e-03 -6.0000e+00 1.6907e-02 -4.4268e-03 1.3951e-03 1.1193e-03 -6.0000e+00 7.2508e-03 1.5725e-03 1.0001e-04 1.0703e-04 1.5881e-05 -6.0000e+00 5.1403e-04 -6.1868e-03 0.0000e+00 12 9 9 12 1 1 99.78 23.05 0.39 -0.00619 -0.00544 5 4 2 5 0 2884.420 26.41 20.00 23.05 25.02 22.0 1015.21 5108 2460 439 -2359 -5457 -3725 -302 1484 -1278 -3410 -4085 -3199 -800 39 -52 -393 -1828 1545 1721 1862 2322 513 -86 3702 1669 342 -1027 -1440 640 431 2581 1019 463 -3309 -6163 -4532 -2466 -733 -602 -901 -849 345 317 799 1106 945 -930 -478 -905 379 290 1750 749 1074 -117 1117 741 74 284 -555 1482 2292 2606 2300 -37 -736 -1776 -980 1245 2089 -8 750 1742 1085 40 -813 -2918 -3466 -1910 -2629 -2695 -2223 -3864 -1264 -532 796 1079 1439 1416 1372 1 -1282 -1403 -672 -760 307 873 1598 432 66 -1566 -2680 -1412 -578 -1507 -1603 -747 -1036 426 1734 1440 1071 902 91 72 -536 -480 -315 1265 457 488 543 1130 818 789 445 -751 122 -203 -299 -200 -1144 -416 -213 551 -88 435 697 676 266 -856 -1775 1235 642 115 -583 -1352 -867 -72 386 -369 -947 -1211 -960 -237 13 -19 -151 -730 609 693 767 960 214 -36 1575 757 159 -468 -619 272 178 1077 459 203 -1487 -2918 -2100 -1140 -392 -377 -636 -643 267 233 627 861 726 -706 -347 -640 265 211 1324 599 882 -99 950 637 63 240 -475 1292 1977 2384 2168 -34 -678 -1518 -819 1097 1888 -8 760 1732 1042 38 -712 -2363 -2711 -1544 -2371 -2688 -2226 -4156 -1396 -623 983 1396 1774 1840 1706 1 -1361 -1466 -684 -817 332 1031 2021 572 85 -1913 -3087 -1585 -676 -1906 -2144 -1032 -1398 593 2496 2133 1572 1255 124 91 -650 -586 -405 1714 661 721 792 1584 1102 1010 541 -951 154 -255 -396 -273 -1596 -589 -314 848 -133 674 1094 1063 413 -1297 -2809 SS 20230830T153401.3Z 8642.648626 384 1 29.33 2 36.74 145.60 151.03 327.59 0.00 1 0.00 1 0 17 1.551e-02 1.207e-02 5.931e-04 3.603e-04 1.603233e-01 1.922865e-04 1.963656e-03 -6.000000e+00 9.365169e-03 230.59 -2.00 3.51 -2.00 315.48 0.00e+00 7.420999e-04 1.846835e-05 1.687472e-04 -6.000000e+00 4.177575e-04 289.03 -2.00 20.00 -2.00 314.76 0.00e+00 1.247 0.000 302.00 328.00 3 1.8302e+00 4.9684e-04 1.4997e-02 -6.0000e+00 2.3368e-02 4.5706e-02 5.4827e-04 8.2712e-03 -6.0000e+00 2.5168e-02 -8.4946e-03 3.1492e-04 3.9987e-03 -6.0000e+00 1.5015e-02 -4.8777e-03 1.4337e-04 1.1053e-03 -6.0000e+00 6.4394e-03 2.0975e-02 -1.1796e-04 1.1025e-05 1.5797e-05 -6.0000e+00 4.5652e-04 -6.0733e-03 0.0000e+00 12 9 9 12 1 1 99.99 23.03 0.35 -0.00607 -0.00696 658 251 1 5 0 44.500 26.41 20.00 23.03 25.62 22.0 1018.90 2566 1143 268 -2783 -3379 -2575 -213 1127 -11 -2962 -4334 -2689 -833 329 797 -15 -158 1349 1275 2256 916 705 1568 1896 1976 900 -203 -749 -460 -314 1460 1696 918 -3117 -5731 -4746 -3889 -1237 -354 -684 -653 -146 210 117 756 270 -349 -678 -1032 -189 925 980 989 929 375 1275 511 -90 -356 154 1128 2143 2625 2137 224 -1425 -1506 -1048 1687 1402 947 1493 1206 1402 35 -1328 -2568 -3101 -1948 -2131 -2407 -2551 -2882 -1772 -373 236 1262 1248 1624 1331 568 -698 -1624 -541 -566 -253 597 1384 608 -414 -1358 -2115 -1102 -668 -1630 -1983 -1005 -916 682 1473 1603 1208 807 143 -339 -418 -151 62 905 483 655 661 1045 624 940 -497 -704 404 42 -191 -792 -1219 -516 -6 283 131 587 753 507 -48 -536 -1692 708 337 78 -771 -849 -613 -52 304 -3 -913 -1332 -829 -275 120 319 -7 -69 592 574 1030 428 327 728 913 903 421 -102 -356 -204 -135 636 783 445 -1555 -2791 -2274 -2024 -670 -223 -487 -499 -115 167 94 597 211 -266 -498 -739 -134 674 755 797 772 320 1094 444 -78 -306 132 998 2004 2383 2004 207 -1338 -1298 -886 1495 1380 922 1490 1198 1335 34 -1183 -2098 -2444 -1592 -1932 -2419 -2545 -3048 -1953 -432 291 1620 1635 2095 1647 654 -734 -1724 -557 -614 -274 702 1743 800 -535 -1649 -2413 -1228 -778 -2055 -2651 -1387 -1311 928 2084 2325 1737 1103 196 -429 -504 -183 79 1226 696 964 961 1464 841 1200 -610 -831 477 52 -252 -1085 -1698 -729 -9 436 194 894 1163 786 -73 -798 -2472 SS 20230830T153908.1Z 8642.652177 387 1 49.14 2 36.21 147.53 151.49 329.83 0.00 1 0.00 1 0 17 1.538e-02 1.172e-02 5.288e-04 2.868e-04 1.594665e-01 1.527095e-04 1.951759e-03 -6.000000e+00 9.288477e-03 230.59 -2.00 3.51 -2.00 315.97 0.00e+00 8.189584e-04 1.608970e-05 2.212990e-04 -6.000000e+00 4.143350e-04 289.03 -2.00 20.00 -2.00 315.20 0.00e+00 1.238 0.000 302.00 328.00 3 1.3917e+00 3.9648e-04 1.4890e-02 -6.0000e+00 2.3177e-02 3.9241e-02 4.3996e-04 8.1931e-03 -6.0000e+00 2.4962e-02 -8.2521e-03 2.5304e-04 3.9706e-03 -6.0000e+00 1.4892e-02 -5.1469e-03 1.1610e-04 1.1072e-03 -6.0000e+00 6.3867e-03 3.2909e-02 -1.2707e-04 8.8144e-06 1.5003e-05 -6.0000e+00 4.5278e-04 -6.0946e-03 0.0000e+00 12 8 8 10 0 0 99.99 23.05 0.37 -0.00609 -0.00705 3043 700 1 5 0 15.880 26.41 20.00 23.05 25.97 22.1 1021.52 2648 839 377 -3105 -2892 -2544 3 1056 -243 -2927 -4603 -2626 -1341 311 558 184 -88 1516 1383 2027 972 409 1479 1679 1930 840 -323 -860 -463 -367 1278 1706 860 -3078 -5706 -4542 -3852 -1222 -337 -845 -699 -251 182 26 798 315 -288 -589 -1020 -148 906 1071 1056 1025 385 1315 479 -131 -294 135 1162 2105 2643 2164 247 -1223 -1454 -995 1688 1500 909 1476 1165 1445 63 -1229 -2516 -3180 -1907 -2162 -2364 -2548 -2888 -1752 -375 216 1221 1208 1579 1360 551 -687 -1617 -494 -532 -198 613 1376 626 -447 -1329 -2137 -1042 -632 -1610 -1924 -1030 -872 653 1428 1518 1224 816 150 -372 -377 -85 32 904 442 661 589 1040 649 933 -492 -706 471 36 -144 -823 -1164 -502 34 322 138 595 729 544 -93 -486 -1669 582 198 88 -757 -634 -531 1 250 -63 -790 -1242 -709 -389 100 196 69 -34 582 545 813 397 167 603 710 850 379 -142 -359 -180 -138 489 691 366 -1346 -2436 -1905 -1757 -638 -205 -580 -468 -174 127 18 553 238 -212 -418 -705 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