File name: Pandora177s1_WestportCT_20230503_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T115311.1Z 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_20230503_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: 20230503 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 20230503T114228.1Z 8523.487825 237 1 48.52 2 70.04 86.30 122.08 294.02 0.00 1 0.00 1 0 17 7.549e-02 9.248e-03 3.669e-02 2.084e-03 4.444397e-01 1.134255e-03 5.306037e-03 -6.000000e+00 4.573162e-02 230.08 -2.00 3.51 -2.00 319.72 0.00e+00 2.233298e-03 3.344510e-04 1.409990e-03 -6.000000e+00 1.978322e-03 282.19 -2.00 20.00 -2.00 319.09 0.00e+00 2.897 0.000 302.00 328.00 3 3.0295e+00 3.2431e-03 3.7786e-02 -6.0000e+00 1.1427e-01 4.7513e-02 3.8416e-03 2.4305e-02 -6.0000e+00 1.2302e-01 -4.4669e-04 3.1466e-03 1.2616e-02 -6.0000e+00 7.3112e-02 -8.2885e-03 1.6399e-03 3.9321e-03 -6.0000e+00 3.1394e-02 7.7226e-04 -8.9413e-04 6.4511e-05 4.8994e-05 -6.0000e+00 2.2163e-03 -4.8325e-02 0.0000e+00 11 9 0 11 8 0 99.95 23.51 0.34 -0.04833 -0.05504 99 23 1 5 0 490.020 26.83 19.98 23.51 12.50 19.9 940.43 -14343 -16401 -2321 -11744 -31835 -35910 -20146 -44490 4934 -29361 -13267 -16764 -9670 -13333 -10154 -982 -10807 -2484 -10625 100 1858 -419 398 -3003 -1861 -3199 78 -9032 -1338 -3527 5085 -1279 1414 -1868 -6151 -5233 -8034 -485 -1854 977 -1232 -732 28 -1398 -519 71 1862 -1929 806 -858 2751 1894 495 1951 531 1646 -173 248 -1360 564 729 2299 2967 2297 2157 -1465 119 -1308 1960 1701 1418 1557 520 1141 -208 -464 -2199 -1425 -1359 -929 -1376 -1583 -2338 -2475 -596 -829 919 1065 1571 1501 837 405 -1607 -437 -416 -338 -5 1099 831 108 -898 -2048 -585 -115 -703 -2276 -1263 -1482 30 1013 985 605 35 -134 -612 -217 413 670 812 201 270 362 1208 572 985 26 -729 377 590 -348 -735 -1081 -767 -153 135 122 -22 901 492 85 69 -1405 -196 -264 -34 -187 -576 -650 -360 -1044 87 -782 -313 -443 -279 -488 -433 -44 -591 -135 -667 6 112 -26 25 -209 -138 -252 6 -736 -99 -272 396 -122 147 -210 -709 -590 -1002 -66 -310 186 -268 -170 7 -348 -130 18 462 -500 206 -232 770 584 168 694 201 637 -70 99 -545 220 293 983 1392 1177 1140 -778 59 -659 1034 1013 928 1064 358 749 -128 -260 -1152 -724 -739 -573 -976 -1258 -2029 -2285 -574 -853 982 1170 1710 1579 832 372 -1414 -379 -388 -353 -6 1294 1051 139 -1090 -2520 -668 -133 -866 -3024 -1587 -1966 42 1526 1591 1011 58 -211 -905 -304 572 964 1235 322 439 575 1835 843 1525 38 -1055 549 928 -550 -1251 -1924 -1410 -295 274 260 -48 1984 1088 184 144 -2802 SS 20230503T115133.5Z 8523.494137 244 1 10.32 2 68.33 87.76 123.60 295.88 0.00 1 0.00 1 0 17 1.942e-01 1.180e-02 1.376e-01 8.446e-03 4.111849e-01 4.531048e-03 4.945075e-03 -6.000000e+00 1.176783e-01 230.08 -2.00 3.51 -2.00 319.18 0.00e+00 8.373838e-05 1.128030e-03 1.235419e-03 -6.000000e+00 5.090363e-03 282.19 -2.00 20.00 -2.00 318.53 0.00e+00 2.683 0.000 302.00 328.00 3 4.6010e+00 1.2575e-02 3.4978e-02 -6.0000e+00 2.9404e-01 4.6636e-02 1.4584e-02 2.2708e-02 -6.0000e+00 3.1655e-01 1.9256e-02 1.1087e-02 1.0958e-02 -6.0000e+00 1.8813e-01 -1.7644e-02 5.8402e-03 3.0586e-03 -6.0000e+00 8.0788e-02 2.0630e-04 -4.6035e-04 2.5955e-04 3.5737e-05 -6.0000e+00 5.7028e-03 -4.8684e-02 0.0000e+00 12 9 9 12 1 1 999.00 23.51 0.37 -0.04868 -0.05214 2 3 1 5 0 3384.600 26.83 19.99 23.51 13.00 20.0 944.51 -33180 -25632 -15547 64564 -985 5101 198227 -17017 -6396 -38851 -35102 -8379 -8187 -6454 -8723 25481 -5296 2164 -6821 -797 3517 -643 -17816 13204 4900 -849 1668 -7754 3301 -9944 11748 5412 7215 5002 -2420 -1078 -9587 5627 -5861 -1659 -2369 1739 -4555 -835 2461 6900 632 -1098 -275 -3347 2629 -974 -1155 294 1476 1620 1306 1051 -964 -1556 -1993 3689 1601 3689 2577 -903 -363 -2050 427 1331 950 909 2297 4171 -1704 395 -1665 -69 -3341 -1308 -1300 -1520 -2190 -1699 511 -509 1709 286 586 1622 250 -926 -1828 -1509 -271 -340 68 1643 158 225 -1623 -2019 -1277 1339 -73 -2462 -473 -1761 23 390 1692 -31 -224 1009 -494 -737 -218 417 -54 1335 -129 664 1271 1221 1111 722 -1405 -190 321 -752 -416 -639 -567 483 129 -12 168 1064 319 -337 -250 -1205 -884 -720 -414 798 -22 102 1632 -517 -198 -1780 -1608 -315 -354 -329 -539 1272 -393 159 -583 -67 293 -57 -1916 1115 487 -94 180 -890 328 -1136 1173 652 947 700 -358 -155 -1623 967 -1369 -435 -699 526 -1524 -274 786 2120 207 -364 -91 -1183 936 -392 -474 126 656 745 616 497 -457 -736 -973 1834 893 2171 1569 -548 -207 -1186 261 904 709 710 1767 3021 -1214 250 -984 -42 -2078 -904 -1024 -1336 -1979 -1622 507 -544 1889 330 671 1772 259 -895 -1762 -1440 -258 -362 81 2023 210 300 -2071 -2494 -1480 1538 -91 -3144 -621 -2463 34 617 2675 -52 -364 1611 -746 -1060 -310 613 -84 2163 -215 1077 1980 1832 1599 1049 -2008 -272 467 -1207 -710 -1134 -988 875 247 -25 331 2111 637 -661 -493 -2282 SS 20230503T115703.8Z 8523.497960 247 1 49.72 2 67.29 88.65 124.51 297.04 0.00 1 0.00 1 0 17 1.332e-01 9.528e-03 1.069e-01 5.543e-03 3.958017e-01 2.976150e-03 4.828946e-03 -6.000000e+00 8.069654e-02 230.09 -2.00 3.51 -2.00 319.55 0.00e+00 1.903616e-03 8.150003e-04 1.382566e-03 -6.000000e+00 3.490947e-03 282.19 -2.00 20.00 -2.00 318.90 0.00e+00 2.569 0.000 302.00 328.00 3 4.8620e+00 8.4017e-03 3.3666e-02 -6.0000e+00 2.0163e-01 6.7899e-02 9.8197e-03 2.1835e-02 -6.0000e+00 2.1708e-01 -4.5743e-03 7.5774e-03 1.1109e-02 -6.0000e+00 1.2901e-01 -7.4986e-03 3.9657e-03 3.3250e-03 -6.0000e+00 5.5396e-02 1.7946e-04 -5.7694e-04 1.7321e-04 4.3471e-05 -6.0000e+00 3.9109e-03 -4.8232e-02 0.0000e+00 12 8 8 10 0 0 97.64 23.51 0.01 -0.04823 -0.05257 22 5 1 5 0 2259.640 26.83 20.01 23.51 13.31 20.0 946.40 128267 -38118 -11676 -4480 -22445 -15372 39892 24235 8323 -11144 -36436 -14981 -8370 -15358 11126 -6169 -6075 954 -3839 -4349 5222 3767 -2877 1935 4582 -1787 3311 729 -11300 -7030 -8511 -5641 -4312 -2617 -7686 -2364 -3233 3508 3189 -3607 285 -2830 1789 -154 2852 354 4049 1811 -1427 186 823 681 2345 3542 90 1491 348 -203 -2426 -1448 32 2241 4427 1648 1099 130 -1768 -1232 2119 938 426 2612 1637 618 574 -775 -708 -2179 -1675 -290 -2187 -1074 -2502 -1926 -460 212 478 1857 -525 1899 -168 -399 -1442 -301 -202 -48 -176 468 753 169 -1311 -1555 -734 -18 -336 -1885 -1038 -1321 -41 556 1427 1065 492 270 213 -932 -696 420 93 1157 500 276 710 419 649 541 -1492 337 41 178 -29 -1098 -911 -8 408 -206 -385 800 668 37 -200 -781 737 -1236 -304 -105 -585 -379 593 475 214 -369 -1600 -567 -342 -809 534 -400 -429 67 -300 -357 400 295 -246 167 412 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