File name: Pandora177s1_WestportCT_20240304_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T044349.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20240304_L1_smca1c7d20230401p1-8.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: 20240304 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]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20240304T172008.9Z 8829.722326 381 1 49.07 2 47.30 185.16 103.79 243.39 0.00 1 0.00 1 0 17 1.628e-02 1.104e-02 3.963e-03 1.436e-03 2.336439e-01 7.423108e-04 2.811698e-03 -6.000000e+00 9.625353e-03 225.71 -2.00 3.51 -2.00 317.07 0.00e+00 1.285686e-03 9.892108e-05 2.932946e-04 -6.000000e+00 4.158513e-04 276.31 -2.00 20.00 -2.00 316.46 0.00e+00 1.472 0.000 302.00 328.00 3 4.3712e+00 1.9402e-03 1.8891e-02 -6.0000e+00 2.3845e-02 5.1456e-02 2.1727e-03 1.1747e-02 -6.0000e+00 2.5851e-02 -6.2550e-03 1.2972e-03 5.8711e-03 -6.0000e+00 1.5362e-02 -6.7342e-03 6.3038e-04 1.8468e-03 -6.0000e+00 6.5573e-03 1.1389e-03 4.1792e-04 4.4541e-05 2.0523e-05 -6.0000e+00 4.7858e-04 6.3157e-03 0.0000e+00 12 8 8 10 0 0 99.39 22.88 0.42 0.00632 0.00946 49 11 1 5 0 1001.260 26.21 19.98 22.88 18.42 23.5 987.37 1107 27 -1133 -4147 -2214 -3105 -1224 -1693 -2796 -4308 -5693 -2612 -2376 378 -88 5 -78 2024 2239 2434 695 409 1683 1214 2168 44 -1339 -1567 -523 -141 1479 1878 454 -3236 -5485 -4294 -3711 -783 -436 -807 -365 -534 330 474 909 653 -203 -591 -955 216 1205 1078 961 820 369 1228 376 -586 -359 183 1307 2673 2697 1965 -66 -1227 -1591 -327 1994 1169 864 1433 1174 897 -175 -1456 -2573 -2943 -1919 -1896 -2400 -2729 -2597 -1339 -265 412 1120 1293 1627 1046 496 -995 -1741 -618 -555 -217 785 1163 246 -391 -1309 -2002 -741 -601 -1629 -1618 -1018 -986 813 1572 1320 835 287 -330 -533 -321 -249 120 938 501 692 789 1317 765 662 -663 -644 490 -88 -426 -921 -1174 -383 83 281 212 704 920 563 -30 -559 -1590 147 4 -161 -559 -267 -368 -153 -238 -427 -679 -909 -426 -435 77 -20 1 -20 523 596 664 195 114 474 360 667 14 -418 -463 -146 -39 428 586 151 -1103 -1828 -1427 -1366 -332 -216 -451 -218 -332 207 298 568 405 -124 -353 -563 128 746 711 668 590 273 917 285 -442 -267 137 1009 1994 2153 1629 -54 -937 -1253 -256 1670 995 788 1329 1073 782 -156 -1183 -1941 -2194 -1520 -1682 -2160 -2667 -2682 -1442 -302 496 1401 1637 2018 1241 545 -1006 -1653 -641 -560 -241 950 1514 333 -514 -1608 -2306 -834 -711 -2082 -2180 -1422 -1436 1230 2490 1979 1356 444 -473 -709 -410 -323 163 1356 761 1062 1184 1899 1062 875 -843 -794 613 -119 -611 -1371 -1783 -593 135 478 376 1165 1536 938 -54 -964 -2685 SS 20240304T173749.1Z 8829.734596 390 1 2.57 2 47.76 191.09 106.67 245.82 0.00 1 0.00 1 0 17 1.753e-02 1.248e-02 6.357e-03 3.316e-03 2.363400e-01 1.740574e-03 2.828467e-03 -6.000000e+00 1.036737e-02 225.71 -2.00 3.51 -2.00 315.97 0.00e+00 8.092457e-04 1.797167e-04 1.893983e-04 -6.000000e+00 4.477716e-04 276.31 -2.00 20.00 -2.00 315.42 0.00e+00 1.485 0.000 302.00 328.00 3 3.5584e+00 4.4763e-03 1.9015e-02 -6.0000e+00 2.5683e-02 4.6673e-02 4.9851e-03 1.1777e-02 -6.0000e+00 2.7841e-02 -9.6702e-03 2.8873e-03 5.8286e-03 -6.0000e+00 1.6545e-02 -2.8361e-03 1.3361e-03 1.6953e-03 -6.0000e+00 7.0648e-03 2.5315e-03 3.3016e-04 1.0030e-04 2.1173e-05 -6.0000e+00 5.1525e-04 3.8357e-03 0.0000e+00 12 9 9 12 1 1 52.35 22.87 0.38 0.00384 0.00632 3 17 1 5 0 640.660 26.21 20.00 22.87 19.16 23.6 993.23 4457 3259 -1443 -1852 -4595 -4597 -1929 -464 -3386 -3088 -4024 -3613 -497 728 2133 -1345 -459 -141 1339 2981 1806 2345 136 2506 2004 149 -470 -1633 -457 -990 1293 2834 1817 -3744 -5524 -4449 -2931 -735 51 65 -498 522 -792 676 214 247 -723 -377 25 -194 1881 587 1407 1145 498 1609 -202 -294 -836 -178 1252 3196 2717 797 -408 -1014 -1454 -1124 2333 1120 962 1206 1596 1294 399 -1401 -2141 -3336 -1941 -2076 -1974 -2805 -2996 -1306 -698 387 1169 1512 1843 1234 678 -1195 -1285 -634 -220 -730 570 1699 445 -655 -1396 -1608 -1042 -571 -2093 -1702 -1168 -691 984 1694 1525 646 958 -317 -134 -677 -351 732 1291 590 811 875 1268 785 610 -192 -1021 173 206 -697 -828 -972 -388 -37 138 429 453 658 622 -118 -522 -1698 902 707 -323 -384 -893 -870 -382 -101 -823 -763 -1003 -943 -141 219 706 -494 -173 -52 499 1124 694 895 54 1025 864 66 -204 -676 -189 -385 522 1218 830 -1788 -2568 -2062 -1406 -409 32 43 -354 382 -568 479 152 182 -526 -266 17 -137 1371 440 1100 930 398 1295 -166 -240 -676 -144 1045 2815 2464 761 -382 -922 -1239 -962 2106 1085 957 1226 1591 1285 368 -1237 -1831 -2837 -1665 -1911 -2017 -3002 -3265 -1478 -805 471 1423 1862 2224 1481 784 -1330 -1335 -656 -243 -857 701 2147 587 -846 -1744 -1874 -1240 -685 -2623 -2240 -1539 -946 1351 2439 2192 959 1344 -430 -174 -851 -446 970 1754 846 1132 1240 1728 1067 791 -247 -1284 220 269 -945 -1162 -1392 -569 -54 207 668 722 1025 998 -186 -793 -2618 SS 20240304T174634.9Z 8829.740682 393 1 4.21 2 48.12 193.98 108.12 247.01 0.00 1 0.00 1 0 25 1.564e-02 1.203e-02 6.022e-03 2.976e-03 2.355487e-01 1.557319e-03 2.815439e-03 -6.000000e+00 9.256123e-03 225.71 -2.00 3.51 -2.00 316.13 0.00e+00 1.099092e-03 1.680456e-04 2.188753e-04 -6.000000e+00 3.995547e-04 276.31 -2.00 20.00 -2.00 315.58 0.00e+00 1.495 0.000 302.00 328.00 3 3.8458e+00 4.0147e-03 1.9061e-02 -6.0000e+00 2.2931e-02 4.7117e-02 4.4740e-03 1.1740e-02 -6.0000e+00 2.4853e-02 -8.4498e-03 2.5999e-03 5.8024e-03 -6.0000e+00 1.4769e-02 -4.6291e-03 1.2151e-03 1.7507e-03 -6.0000e+00 6.3103e-03 1.8818e-03 1.1184e-03 9.0287e-05 2.0433e-05 -6.0000e+00 4.5969e-04 3.5083e-05 0.0000e+00 12 9 9 12 1 1 64.49 22.90 0.42 0.00004 0.00844 4 13 1 5 0 840.630 26.32 19.99 22.90 19.97 23.7 998.86 1109 93 1337 -4707 -112 -2134 -1979 399 -1295 -5549 -2611 -1804 173 -1479 186 -259 1168 1460 2840 2420 625 1246 1406 1512 1656 -357 -296 -1182 -654 366 1756 1146 -199 -4315 -5043 -3909 -2723 -1960 -63 -801 -561 201 -43 199 608 432 -525 -243 -620 608 1287 666 1209 360 864 1279 185 -624 -110 588 1734 2232 2576 1897 38 -1235 -1070 -592 1274 1592 1476 1736 858 675 12 -1631 -2922 -3111 -1836 -2438 -2517 -2446 -2432 -1545 -403 673 1749 1431 1399 1401 214 -1405 -2077 -625 -495 -79 776 1516 514 -624 -1570 -1918 -891 -693 -1816 -1513 -1084 -192 681 1469 1467 1128 382 -178 72 -274 -224 323 841 790 631 750 1318 871 1063 -702 -469 276 -73 -845 -995 -1131 -647 142 425 312 628 670 523 -55 -623 -1738 213 19 267 -921 -21 -398 -360 79 -282 -1282 -586 -423 45 -445 62 -84 390 503 997 876 232 458 527 595 682 -152 -122 -463 -243 134 674 479 -89 -1978 -2228 -1722 -1320 -1032 -39 -511 -384 141 -31 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