File name: Pandora177s1_WestportCT_20230926_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T143336.9Z 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_20230926_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: 20230926 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 20230926T161725.3Z 8669.678765 304 1 47.94 2 42.90 169.95 147.23 52.94 0.00 1 0.00 1 0 17 1.690e-02 1.175e-02 6.499e-03 3.131e-03 1.681572e-01 1.635650e-03 2.043074e-03 -6.000000e+00 1.009917e-02 228.02 -2.00 3.51 -2.00 316.48 0.00e+00 9.471282e-04 1.921089e-04 2.532442e-04 -6.000000e+00 4.503240e-04 286.46 -2.00 20.00 -2.00 315.71 0.00e+00 1.363 0.000 302.00 328.00 3 5.6612e+00 4.2592e-03 1.6082e-02 -6.0000e+00 2.5066e-02 5.1906e-02 4.7538e-03 8.5405e-03 -6.0000e+00 2.7067e-02 -3.8827e-04 2.7456e-03 4.1689e-03 -6.0000e+00 1.6156e-02 -1.0376e-02 1.2805e-03 1.1970e-03 -6.0000e+00 6.9412e-03 3.9845e-04 7.4872e-05 9.6779e-05 1.4463e-05 -6.0000e+00 4.9715e-04 -1.5738e-04 0.0000e+00 12 9 8 11 8 0 78.81 23.03 0.31 -0.00016 0.00041 15 3 1 5 0 3195.370 26.41 20.00 23.03 18.42 22.0 970.57 488 580 -870 -4576 -1324 -808 -1906 3907 -4510 -3690 -5497 -1545 -2153 132 701 337 2142 989 3015 1127 2510 -578 1021 2155 1619 629 -1175 -257 -1014 475 -1036 2000 -656 -2808 -6467 -3611 -3224 -296 199 -1213 121 -771 282 485 708 1012 -564 133 -1681 -1 416 1735 1279 1030 681 1328 745 -957 -303 87 1790 1953 2984 1678 -10 -1320 -2330 -795 1549 1249 594 2007 532 1603 -495 -1209 -2730 -3309 -2368 -3053 -2143 -2510 -2293 -987 274 627 1237 1376 1644 1821 30 -1262 -1883 -740 -427 -489 963 757 540 -1010 -1167 -1872 -926 -421 -1810 -1582 -736 -620 237 1506 1250 1300 818 -330 657 -734 -264 -36 497 355 722 883 875 966 162 785 -1180 229 -176 -212 -548 -1205 -591 120 397 11 1041 586 538 -248 -572 -1401 101 126 -189 -947 -240 -140 -354 763 -1033 -849 -1270 -353 -543 37 213 108 695 332 1018 398 880 -208 365 794 626 249 -457 -93 -348 157 -360 718 -252 -1087 -2473 -1340 -1313 -138 108 -751 79 -528 194 334 484 680 -373 84 -1054 0 267 1162 901 750 507 999 566 -732 -228 66 1383 1612 2594 1518 -9 -1086 -1784 -643 1223 1096 563 1926 513 1465 -427 -1024 -2132 -2510 -1878 -2705 -2081 -2438 -2347 -1051 308 749 1544 1746 2053 2168 34 -1395 -1928 -739 -450 -563 1106 939 694 -1279 -1488 -2246 -1089 -518 -2419 -2057 -988 -864 344 2258 1928 1976 1180 -480 871 -943 -340 -49 719 501 1039 1355 1298 1369 220 1003 -1481 288 -235 -299 -797 -1789 -892 188 653 18 1684 966 888 -404 -981 -2350 SS 20230926T162316.6Z 8669.682831 308 1 47.05 2 42.72 172.09 146.37 54.78 0.00 1 0.00 1 0 17 1.870e-02 1.255e-02 7.101e-03 3.411e-03 1.693120e-01 1.796165e-03 2.061859e-03 -6.000000e+00 1.117662e-02 228.02 -2.00 3.51 -2.00 316.34 0.00e+00 1.133941e-03 2.048099e-04 2.373117e-04 -6.000000e+00 4.982488e-04 286.46 -2.00 20.00 -2.00 315.58 0.00e+00 1.360 0.000 302.00 328.00 3 5.8185e+00 4.6695e-03 1.6091e-02 -6.0000e+00 2.7740e-02 5.9843e-02 5.1978e-03 8.6124e-03 -6.0000e+00 2.9953e-02 -5.0520e-03 3.0135e-03 4.2095e-03 -6.0000e+00 1.7879e-02 -7.2005e-03 1.4070e-03 1.2587e-03 -6.0000e+00 7.6833e-03 3.4006e-04 1.3332e-04 1.0589e-04 1.5175e-05 -6.0000e+00 5.5006e-04 -1.7084e-03 0.0000e+00 12 8 8 10 0 0 97.62 23.05 0.39 -0.00171 -0.00071 13 3 1 5 0 3618.830 26.41 20.00 23.05 18.70 21.9 971.67 4229 727 913 -6306 -5262 -2216 -1991 2868 342 -3942 -4644 -5306 645 -3015 1274 462 -573 1600 1129 2150 676 1757 2844 3527 1791 113 -602 -1633 -1257 -550 1035 -18 1603 -3511 -5810 -3772 -3185 -257 -714 136 -532 -629 58 98 687 660 -826 -730 -991 -589 1674 1063 1195 504 750 1379 780 -619 -995 279 1614 2843 2572 2969 -328 -1278 -1726 -1258 1961 625 1013 1384 1197 1203 -467 -1689 -2674 -3079 -3319 -2190 -3225 -2323 -3075 -1477 -44 148 1218 802 2145 1563 1180 -1051 -2145 -612 -556 -293 99 1222 606 -323 -1797 -2158 -989 -1057 -1670 -1641 -1037 -967 1135 1686 1529 671 840 246 359 -736 -881 99 842 1119 165 928 647 516 273 -377 -854 228 -30 -172 -581 -899 -713 287 314 73 338 1068 344 -24 -771 -1414 826 155 190 -1299 -969 -380 -360 550 72 -883 -1033 -1220 153 -837 373 144 -186 519 378 785 253 645 1043 1336 720 47 -243 -624 -450 -191 367 -7 628 -1428 -2301 -1460 -1349 -124 -407 86 -364 -447 42 70 489 463 -570 -485 -641 -381 1102 745 875 383 579 1075 615 -490 -781 218 1295 2411 2329 2751 -303 -1092 -1364 -980 1598 572 989 1385 1188 1145 -418 -1376 -1997 -2229 -2540 -1838 -3026 -2333 -3287 -1638 -51 184 1575 1060 2761 1932 1350 -1108 -2105 -583 -560 -322 119 1563 806 -422 -2207 -2482 -1111 -1249 -2127 -2207 -1444 -1398 1684 2610 2432 1062 1253 339 455 -902 -1092 129 1159 1623 246 1356 917 700 354 -465 -1018 295 -38 -231 -806 -1268 -1027 427 492 119 567 1806 586 -40 -1258 -2255 SS 20230926T163709.3Z 8669.692469 317 1 17.61 2 42.48 177.20 144.25 58.86 0.00 1 0.00 1 0 17 1.629e-02 1.227e-02 5.809e-03 3.276e-03 1.683271e-01 1.728473e-03 2.084149e-03 -6.000000e+00 9.737573e-03 228.02 -2.00 3.51 -2.00 315.79 0.00e+00 9.577446e-04 1.770706e-04 2.252119e-04 -6.000000e+00 4.341560e-04 286.46 -2.00 20.00 -2.00 315.08 0.00e+00 1.354 0.000 302.00 328.00 3 5.3593e+00 4.4569e-03 1.6032e-02 -6.0000e+00 2.4169e-02 5.3159e-02 4.9398e-03 8.5938e-03 -6.0000e+00 2.6097e-02 -7.3135e-03 2.8540e-03 4.1841e-03 -6.0000e+00 1.5577e-02 -6.3198e-03 1.3143e-03 1.1891e-03 -6.0000e+00 6.6932e-03 5.4421e-04 -1.2806e-04 1.0035e-04 1.6452e-05 -6.0000e+00 4.7931e-04 -7.9768e-04 0.0000e+00 12 9 9 12 1 1 90.20 23.06 0.37 -0.00080 -0.00176 5 4 1 5 0 2933.740 26.41 20.00 23.06 18.68 22.0 971.61 4834 -539 82 -3494 -2746 -1064 86 962 -3636 -2084 -4067 271 -931 1264 318 707 109 1250 1076 2416 182 2697 1861 2356 1759 1195 -567 -1651 -589 -1526 1216 1720 231 -3227 -5550 -4907 -2995 -2052 -520 -608 -428 -150 516 364 -6 524 -824 -1145 -1423 430 164 1139 788 1202 173 1978 536 -797 -771 290 1672 2673 2406 2481 934 -1457 -1605 -391 2258 1351 1034 1510 1068 990 238 -1822 -2243 -3542 -2094 -2691 -2065 -2204 -2619 -1219 40 183 976 1296 1654 1504 392 -843 -1948 -500 -1020 -1164 667 835 211 92 -1498 -2235 -982 -524 -1787 -1735 -951 -884 593 1692 1941 919 635 4 -48 -436 -335 -182 711 1076 685 844 1091 665 465 -259 -1070 229 154 -669 -91 -1007 -129 -243 320 -64 605 806 375 -98 -689 -1561 1194 -136 22 -891 -627 -229 19 240 -1022 -584 -1147 75 -286 427 109 257 41 473 419 950 74 1058 744 976 765 529 -247 -745 -247 -630 506 758 108 -1539 -2577 -2257 -1486 -1088 -319 -419 -316 -115 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