File name: Pandora64s1_NewHavenCT_20240803_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240804T062547.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240803_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20240803 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20240803T105634.3Z 8981.455953 96 1 48.23 2 78.91 76.64 67.15 77.07 0.00 1 0.00 1 0 25 3.964e-01 1.265e-02 6.418e-02 2.314e-03 6.387327e-01 1.306565e-03 7.658239e-03 -6.000000e+00 2.431211e-01 232.25 -2.00 3.52 -2.00 320.77 0.00e+00 4.981962e-03 5.710846e-04 2.998419e-03 -6.000000e+00 1.088809e-02 289.77 -2.00 20.00 -2.00 320.09 0.00e+00 5.010 0.002 302.00 328.00 3 1.9017e+00 4.2795e-03 6.1927e-02 -6.0000e+00 6.0891e-01 9.3552e-02 5.5326e-03 3.7489e-02 -6.0000e+00 6.5591e-01 -1.3411e-01 4.9357e-03 1.9590e-02 -6.0000e+00 3.9091e-01 5.0475e-02 2.4109e-03 6.1238e-03 -6.0000e+00 1.6533e-01 2.6775e-04 -8.3099e-04 6.8767e-05 1.0822e-04 -6.0000e+00 1.1805e-02 1.0842e-02 -1.2242e-04 12 8 8 10 0 0 96.61 21.75 0.17 0.01084 0.00460 85 20 1 5 0 567.360 26.21 20.01 21.75 31.95 40.5 1057.55 -147055 -114214 -115252 -133806 -254568 -104534 -117831 -109586 -94374 -76745 -102508 -68418 -72798 -46729 -27880 -25832 -32820 -14456 -19616 1034 -7260 20540 1911 -4966 -20310 -12883 -29387 -15353 -5431 -31687 -4508 -3970 31 1872 -9243 -3609 3436 -411 3625 2759 4566 6265 7042 1444 5929 6278 5256 6393 5878 -703 6461 764 8801 4785 5308 2722 1915 1851 2968 1392 4348 3479 3488 5301 5108 1329 2525 1034 2870 1920 1182 820 -358 -779 5 -2361 28 -2573 -1250 -620 -1398 -994 -1559 -2254 -748 -1063 96 -231 1125 645 115 43 -1448 -1156 -280 -39 -842 736 352 -766 -708 -1936 -2803 6 -419 -1447 -229 -468 -276 517 635 234 227 403 -136 -91 645 63 886 393 -128 48 906 433 1368 398 -1033 954 1078 227 235 -767 -645 -222 378 -294 -397 598 168 -380 193 -928 -1991 -1242 -1324 -1729 -9668 -1108 -1426 -1371 -1235 -900 -1535 -988 -1284 -805 -492 -519 -788 -320 -487 22 -170 408 45 -133 -671 -412 -1109 -498 -167 -1462 -190 -192 2 98 -525 -209 213 -32 298 264 467 671 786 174 703 764 666 841 822 -115 1105 152 1762 1074 1233 674 485 462 723 352 1147 958 1078 1759 1704 452 872 383 1190 901 593 419 -178 -365 2 -942 11 -1082 -604 -348 -841 -669 -1127 -1750 -615 -862 80 -195 923 539 91 32 -1104 -952 -244 -39 -964 867 430 -912 -783 -2106 -2970 7 -489 -1674 -281 -620 -381 783 1034 390 373 631 -205 -136 981 101 1485 670 -213 77 1406 645 1965 594 -1470 1462 1852 408 456 -1501 -1333 -485 832 -670 -922 1391 384 -829 420 -1952 SS 20240803T110225.4Z 8981.460016 99 1 48.31 2 77.84 77.55 66.12 77.91 0.00 1 0.00 1 0 17 2.709e-01 8.351e-03 3.387e-02 1.296e-03 5.964263e-01 7.210580e-04 6.940728e-03 -6.000000e+00 1.661964e-01 232.25 -2.00 3.52 -2.00 320.41 0.00e+00 1.800698e-03 2.830085e-04 1.573790e-03 -6.000000e+00 7.442046e-03 289.77 -2.00 20.00 -2.00 319.69 0.00e+00 4.603 0.002 302.00 328.00 3 1.2905e+00 2.2426e-03 5.6418e-02 -6.0000e+00 4.1625e-01 2.7135e-02 2.8221e-03 3.2946e-02 -6.0000e+00 4.4836e-01 -4.1077e-02 2.4725e-03 1.6402e-02 -6.0000e+00 2.6722e-01 8.8516e-03 1.2371e-03 4.6574e-03 -6.0000e+00 1.1302e-01 7.7116e-04 -5.0415e-04 3.8633e-05 6.3218e-05 -6.0000e+00 8.0693e-03 1.0443e-02 -1.1610e-04 11 8 0 10 0 0 81.96 21.75 0.09 0.01044 0.00665 207 50 1 5 0 233.360 26.21 19.97 21.75 32.09 40.4 1058.43 -90655 -87054 -81681 -84804 -170362 -99199 -84779 -73349 -53651 -55423 -60340 -45892 -35699 -35445 -27402 -22535 -20039 -14630 -16238 -8396 -15745 -9618 -4662 -10347 -7620 -9193 -14651 -14723 -8949 -14488 -4154 -5506 2292 -317 -4150 -4015 -1793 -482 1576 -892 1702 730 2259 -1439 1477 620 1893 696 707 -1029 3975 1603 3371 2147 1860 1249 1890 307 1002 675 1593 2009 2826 4044 1765 -212 636 -385 1837 1686 1050 663 -91 -4 -645 -1416 -1271 -2521 -928 -693 -1403 -823 -2120 -1610 -374 -390 344 450 1291 640 452 499 -752 134 351 230 -295 1018 260 -716 -849 -1878 -2076 195 -126 -1425 -533 -585 -20 421 682 339 177 182 -275 -50 661 -47 586 476 -218 -254 682 154 1248 500 -1139 553 761 165 242 -678 -523 -307 464 -200 -399 438 323 -254 232 -674 -974 -1001 -929 -933 -3876 -1292 -1072 -946 -637 -722 -892 -714 -632 -780 -679 -557 -534 -409 -491 -249 -510 -302 -152 -388 -296 -380 -638 -628 -372 -723 -221 -339 148 -21 -280 -293 -148 -48 169 -113 230 106 338 -227 232 100 310 120 128 -207 855 388 872 560 507 357 546 89 285 196 491 687 1069 1641 730 -87 266 -171 912 872 580 374 -50 -2 -327 -667 -587 -1245 -484 -419 -975 -595 -1656 -1335 -329 -363 330 436 1218 574 380 400 -605 115 341 240 -350 1246 330 -883 -1036 -2117 -2273 222 -153 -1725 -686 -807 -28 658 1080 546 280 289 -417 -74 1012 -76 941 776 -350 -415 1077 234 1818 708 -1637 854 1239 296 443 -1313 -1066 -633 1010 -432 -877 965 697 -550 477 -1411 SS 20240803T110738.6Z 8981.463641 102 1 48.50 2 76.88 78.37 65.19 78.66 0.00 1 0.00 1 0 25 2.227e-01 8.425e-03 3.509e-02 1.456e-03 5.624427e-01 8.051858e-04 6.523221e-03 -6.000000e+00 1.365723e-01 232.25 -2.00 3.52 -2.00 320.26 0.00e+00 2.035573e-03 2.986126e-04 1.053956e-03 -6.000000e+00 6.116357e-03 289.77 -2.00 20.00 -2.00 319.53 0.00e+00 4.291 0.001 302.00 328.00 3 1.8293e+00 2.4545e-03 5.2591e-02 -6.0000e+00 3.4205e-01 1.9613e-02 3.0493e-03 3.0421e-02 -6.0000e+00 3.6845e-01 -2.6927e-02 2.6160e-03 1.5315e-02 -6.0000e+00 2.1959e-01 3.4692e-03 1.3201e-03 4.6362e-03 -6.0000e+00 9.2872e-02 6.2524e-04 -6.4065e-04 4.3837e-05 5.9295e-05 -6.0000e+00 6.6313e-03 1.0655e-02 -1.2785e-04 11 8 0 10 0 0 96.02 21.75 0.16 0.01066 0.00584 172 41 1 5 0 281.920 26.21 20.01 21.75 32.32 40.5 1059.86 -95188 -46950 -72445 -52489 -165147 -50827 -69556 -43858 -55733 -43411 -50426 -25966 -41531 -12844 -15853 -6836 -12270 -1347 -6970 1497 -6758 -2384 -610 -4413 -2512 -2254 -7107 -1340 -3100 -10145 -580 -183 4987 438 -2608 -4282 -2537 -2838 1911 -1845 555 -1074 1746 -2356 2010 76 1697 -83 1467 -1831 3217 1272 3602 1631 1283 759 1834 -534 1828 94 2025 1293 2573 2700 2011 -899 406 -297 1599 1273 753 595 -68 233 -576 -1244 -118 -2132 -399 -862 -1076 -1043 -1696 -1640 -275 -476 445 429 1274 644 492 341 -802 222 635 185 -542 1016 256 -616 -718 -1667 -2196 340 -280 -1500 -512 -494 -406 497 767 170 81 163 -195 10 468 5 773 316 -374 -179 508 247 1248 645 -1158 762 838 147 338 -531 -658 -331 447 -220 -316 322 206 -195 291 -800 -1446 -486 -1008 -559 -4752 -541 -997 -554 -886 -653 -873 -424 -990 -284 -399 -180 -375 -41 -237 49 -246 -85 -23 -189 -112 -105 -346 -60 -145 -573 -35 -12 364 34 -201 -362 -243 -301 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