File name: Pandora75s1_EssexMD_20250110_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20250111T055905.6Z 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_20250110_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: 20250110 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 20250110T142504.0Z 9141.600741 248 1 50.37 2 72.74 139.31 115.21 4.89 0.00 1 0.00 1 0 17 1.465e-01 1.042e-02 1.212e-01 5.577e-03 4.459380e-01 2.973308e-03 5.443597e-03 -6.000000e+00 8.750851e-02 223.78 -2.00 3.48 -2.00 319.99 0.00e+00 4.578825e-03 9.417002e-04 1.713992e-03 -6.000000e+00 3.801544e-03 276.97 -2.00 20.00 -2.00 319.45 0.00e+00 3.322 0.001 302.00 328.00 3 4.2600e+00 8.5353e-03 4.0405e-02 -6.0000e+00 2.1570e-01 9.0078e-02 1.0238e-02 2.3572e-02 -6.0000e+00 2.3370e-01 -4.9197e-02 8.7503e-03 1.3870e-02 -6.0000e+00 1.3921e-01 7.1450e-03 4.5385e-03 5.8653e-03 -6.0000e+00 5.9565e-02 1.5403e-04 -1.4880e-03 1.7995e-04 8.0875e-05 -6.0000e+00 4.5032e-03 -2.3876e-02 1.4603e-04 12 9 8 11 16 0 99.22 22.78 0.47 -0.02388 -0.03506 14 2 1 5 0 3597.540 25.68 20.00 22.78 5.72 5.7 866.43 -63289 37967 -57483 -37805 8933 62404 -17202 -42710 -53300 -50205 -37052 -12529 -31872 36389 -5739 -17979 2476 -22108 -15520 -7519 11997 9378 -9873 -17188 3127 1317 -16677 -9542 -19935 -2090 -20004 -6089 -3543 -6821 -4934 238 4837 -2497 -2932 -2369 2651 585 4062 298 3961 5127 1608 837 3776 1892 -2088 394 604 2770 1675 1560 1737 -2387 2734 -2068 2207 2152 5982 661 5176 1969 1621 164 -736 1665 -481 3066 2769 2070 -2310 -898 -3046 -3865 -1634 -1626 -1592 -3395 -1942 -2300 294 -1195 1124 1034 1369 868 -667 -134 -2833 -1813 -1393 -193 -415 1058 564 -661 -1299 -1471 45 -981 -892 -1325 -725 714 1216 680 289 835 761 102 -719 14 -449 157 922 -25 322 1000 549 400 -210 -604 -321 776 -28 -847 -43 -713 -72 233 -238 -112 446 812 107 149 -369 -850 -1408 357 -1506 -804 110 432 -272 -950 -1449 -1415 -952 -273 -993 702 -204 -844 105 -1301 -913 -427 575 464 -605 -1190 186 83 -1270 -660 -1498 -136 -1740 -524 -331 -695 -483 24 508 -326 -458 -430 510 123 862 67 877 1137 373 197 879 467 -577 115 190 910 581 557 628 -896 959 -760 808 856 2528 319 2440 926 740 77 -373 923 -297 1902 1710 1227 -1320 -458 -1477 -1875 -838 -952 -1063 -2574 -1568 -1977 263 -1153 1111 1049 1380 845 -613 -114 -2348 -1500 -1243 -192 -467 1305 738 -866 -1612 -1683 48 -1076 -1038 -1639 -940 971 1769 1079 491 1444 1291 165 -1100 21 -661 239 1477 -42 542 1635 874 612 -308 -855 -443 1098 -44 -1437 -78 -1354 -141 478 -472 -232 942 1733 229 307 -804 -1790 SS 20250110T143041.1Z 9141.604643 251 1 53.03 2 72.04 140.46 115.10 6.21 0.00 1 0.00 1 0 17 9.275e-02 9.303e-03 1.169e-01 5.745e-03 4.399204e-01 3.054670e-03 5.268383e-03 -6.000000e+00 5.543264e-02 223.78 -2.00 3.48 -2.00 319.85 0.00e+00 3.749293e-04 9.301327e-04 1.437794e-03 -6.000000e+00 2.407699e-03 276.97 -2.00 20.00 -2.00 319.30 0.00e+00 3.200 0.001 302.00 328.00 3 4.5357e+00 8.7086e-03 3.9405e-02 -6.0000e+00 1.3664e-01 8.3099e-02 1.0408e-02 2.4065e-02 -6.0000e+00 1.4803e-01 -2.0878e-02 8.8602e-03 1.1975e-02 -6.0000e+00 8.8178e-02 -8.6505e-03 4.6184e-03 3.4423e-03 -6.0000e+00 3.7737e-02 1.3320e-04 -1.1174e-03 1.8559e-04 4.8694e-05 -6.0000e+00 2.8517e-03 -2.4119e-02 1.9214e-04 11 9 0 11 24 0 96.68 22.78 0.60 -0.02412 -0.03252 16 3 1 5 0 3314.020 25.68 20.00 22.78 5.98 5.8 868.99 10615 -16011 14310 -1548 -5463 -27691 43940 -38839 -15680 -36792 -48763 -21013 14734 12016 -6572 -3463 6223 14734 -1308 -12580 -448 -14984 2543 18479 -6611 -7072 529 -1215 12275 10196 -10408 -1011 -2330 783 -4719 -874 -15876 -4996 -1502 1420 -296 1747 -3608 2702 1266 -373 -3134 1206 1320 2367 906 3584 746 -252 1654 1751 1866 -1651 1006 1873 -707 288 2788 1880 3588 1870 -905 401 -1185 -883 3209 1233 -262 619 -751 -1619 -3420 -2809 -2299 -2809 -2184 -282 -2580 -1459 288 -372 1249 -30 1197 2917 514 91 -796 -945 -1254 -613 400 1691 694 -158 -984 -1911 -1225 -1109 -1369 -1484 528 -485 596 636 824 255 464 54 -1124 -82 169 363 805 819 130 533 -15 654 189 -368 -690 14 167 -346 -507 -1106 -25 -172 21 83 475 947 -179 -250 -107 -263 119 -269 189 -24 -81 -494 403 -910 -327 -1030 -1614 -567 323 324 -254 -150 269 630 -70 -788 -26 -1000 148 979 -481 -544 38 -87 738 639 -880 -88 -227 86 -534 -95 -2179 -716 -250 270 -64 396 -899 645 308 -93 -804 297 330 609 254 1066 246 -90 607 663 720 -659 384 704 -282 123 1273 934 1787 914 -440 194 -628 -522 1986 812 -174 388 -441 -868 -1732 -1397 -1224 -1712 -1504 -213 -2152 -1277 264 -365 1266 -31 1237 2845 478 79 -661 -791 -1138 -620 452 2091 914 -207 -1224 -2212 -1334 -1231 -1619 -1857 683 -673 878 1013 1396 444 789 87 -1725 -119 246 552 1286 1360 218 872 -25 994 276 -517 -950 20 255 -578 -905 -2081 -48 -350 41 169 990 1990 -377 -509 -229 -543 SS 20250110T144120.9Z 9141.612047 254 1 50.77 2 70.76 142.70 114.83 8.71 0.00 1 0.00 1 0 17 1.206e-01 1.244e-02 2.715e-02 2.976e-03 4.024275e-01 1.564196e-03 4.813506e-03 -6.000000e+00 7.213141e-02 223.78 -2.00 3.48 -2.00 318.83 0.00e+00 6.948024e-04 3.528758e-04 9.194661e-04 -6.000000e+00 3.132403e-03 276.97 -2.00 20.00 -2.00 318.25 0.00e+00 3.000 0.000 302.00 328.00 3 4.5789e+00 4.2459e-03 3.6208e-02 -6.0000e+00 1.7780e-01 4.4252e-02 4.8692e-03 2.0787e-02 -6.0000e+00 1.9260e-01 -2.5619e-02 3.5298e-03 1.0436e-02 -6.0000e+00 1.1473e-01 4.8628e-03 1.8617e-03 3.0322e-03 -6.0000e+00 4.9117e-02 1.6558e-04 -8.9902e-04 9.4012e-05 3.9438e-05 -6.0000e+00 3.7092e-03 -2.5632e-02 2.2643e-04 12 9 8 11 8 0 92.17 22.80 0.49 -0.02563 -0.03239 14 2 1 5 0 3626.050 25.68 20.00 22.80 6.13 5.7 868.70 -81445 -313 252 -12455 -62866 9765 10920 13141 -36926 -15591 -46316 -15229 38746 28004 4044 1431 -2880 -9022 32523 7812 9505 10655 -7135 1864 -13660 4954 10056 -2690 2154 -1563 3976 -3364 2956 -2764 5330 4836 -11576 -3205 65 -517 972 1911 471 937 2511 3686 301 1264 1471 2502 348 -960 3434 4061 221 -246 1366 -2099 -722 11 399 2942 2046 950 213 -448 -1673 -62 2214 3979 127 1159 9 391 580 -904 -2753 -3743 -2082 -2328 -1654 -4247 -1435 -493 -571 -665 852 824 1261 1739 -483 -823 -374 -2050 -794 397 487 863 979 -476 -1213 -1841 -217 -495 -813 -1113 -462 281 359 1188 1088 638 323 -87 -697 202 375 241 224 572 19 980 1437 -147 736 -581 -265 -772 -199 -45 -279 -833 -157 -132 -654 42 814 1008 -243 -60 86 -962 -4619 -10 8 -463 -3575 258 298 389 -2014 -742 -3118 -800 1360 1300 282 117 -269 -958 2416 775 951 1064 -878 223 -2029 640 1249 -367 269 -205 536 -545 495 -514 894 811 -2479 -733 17 -162 304 631 164 331 879 1281 108 449 526 915 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