File name: Pandora75s1_EssexMD_20250526_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250527T050849.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250526_L1_smca1c3d20230525p1-8.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: 20250526 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 session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20250526T112317.4Z 9277.474506 96 1 49.90 2 72.97 76.22 64.38 80.21 0.00 1 0.00 1 0 17 2.498e-01 1.573e-02 1.014e-01 3.496e-03 4.612348e-01 1.865195e-03 5.521431e-03 -6.000000e+00 1.515854e-01 231.79 -2.00 3.48 -2.00 319.63 0.00e+00 2.295722e-03 5.460749e-04 2.206909e-03 -6.000000e+00 6.799268e-03 285.67 -2.00 20.00 -2.00 318.89 0.00e+00 3.362 0.001 302.00 328.00 3 4.5983e+00 5.3829e-03 4.2239e-02 -6.0000e+00 3.7940e-01 3.3451e-02 6.3461e-03 2.6314e-02 -6.0000e+00 4.1034e-01 -4.1839e-02 4.8182e-03 1.2782e-02 -6.0000e+00 2.4442e-01 1.4973e-02 2.4684e-03 3.4412e-03 -6.0000e+00 1.0137e-01 1.0578e-04 6.5508e-05 1.0999e-04 5.6675e-05 -6.0000e+00 7.7471e-03 9.4684e-03 5.5877e-05 12 9 8 11 8 0 78.26 23.61 0.55 0.00947 0.00996 14 2 1 5 0 3564.020 26.32 19.99 23.61 25.48 6.2 1008.91 -160065 10909 900000 159019 -84692 -98241 -372 7996 -66027 28167 -30911 7549 20734 70853 12125 -20850 -7128 -4989 10462 -1585 1354 6327 4453 12097 -9561 5731 -1825 -11336 -18681 47854 -1202 -3216 -711 2465 375 2059 1955 -5514 8353 12294 -6459 6101 7762 4129 -690 4580 590 -2318 -1031 7082 2761 1760 2256 5345 4328 5019 601 -2001 -561 -1965 2930 5643 5235 1712 2656 -75 -235 -748 1841 688 -1064 3370 -978 53 -1814 -2673 -1526 -236 -2687 -4231 -1241 -3351 -2134 -1772 -552 -418 190 742 931 1400 289 -1164 -518 -1897 -2198 1166 574 -20 1128 37 -1050 -1353 -1314 -798 -1866 -2011 -465 700 737 1304 2144 572 -498 -731 -370 1171 -225 -292 993 169 1342 809 1581 579 358 -883 225 -980 841 152 -1123 -393 34 11 -194 -310 -45 928 -122 352 -70 -620 -820 -10021 142 900000 542 -2809 -3623 -6 131 -2521 451 -938 170 481 1208 446 -1237 -408 -303 581 -104 89 401 298 796 -831 447 -156 -1036 -1796 2447 -111 -345 -83 293 45 243 251 -891 1410 2343 -1660 1481 1937 1095 -195 1240 167 -683 -306 2023 808 568 783 1925 1654 1969 252 -860 -234 -830 1223 2485 2554 936 1473 -42 -126 -409 1058 449 -708 2242 -677 38 -1220 -1647 -864 -131 -1649 -3012 -897 -2768 -1888 -1662 -547 -407 193 771 962 1387 293 -1112 -467 -1751 -2204 1175 659 -26 1411 46 -1351 -1611 -1483 -912 -2292 -2619 -629 925 1047 1999 3252 906 -783 -1173 -556 1661 -325 -441 1567 280 2210 1312 2466 875 518 -1242 305 -1394 1277 252 -1890 -689 61 21 -368 -616 -91 1902 -251 698 -133 -1214 -1589 SS 20250526T112934.4Z 9277.478870 100 1 51.31 2 71.78 77.12 63.21 81.05 0.00 1 0.00 1 0 25 2.525e-01 1.328e-02 9.788e-02 2.984e-03 4.331900e-01 1.580920e-03 5.104419e-03 -6.000000e+00 1.533103e-01 231.79 -2.00 3.48 -2.00 319.32 0.00e+00 1.876723e-03 4.226172e-04 1.779755e-03 -6.000000e+00 6.783966e-03 285.67 -2.00 20.00 -2.00 318.57 0.00e+00 3.157 0.001 302.00 328.00 3 4.6022e+00 4.4760e-03 3.9312e-02 -6.0000e+00 3.8374e-01 1.8019e-02 5.2230e-03 2.3811e-02 -6.0000e+00 4.1497e-01 -3.0573e-02 3.8206e-03 1.1746e-02 -6.0000e+00 2.4708e-01 1.1608e-02 1.9607e-03 3.2984e-03 -6.0000e+00 1.0219e-01 1.3372e-04 7.0900e-04 9.4463e-05 4.8197e-05 -6.0000e+00 7.8246e-03 7.9593e-03 1.0512e-04 12 9 8 11 40 0 99.05 23.60 0.53 0.00796 0.01329 16 3 1 5 0 3206.680 26.32 20.00 23.60 25.37 6.2 1007.67 -129779 22113 205397 96886 -32825 -75383 59735 -32727 -54542 -15752 -25392 -6973 23010 12441 6263 -13224 -9331 3781 2820 709 6885 11949 -7070 -430 -2757 2547 -3991 -15146 -12244 17503 104 -2876 6622 -6636 2328 2108 1808 -2342 6604 7892 -4551 4443 5131 3521 -362 1678 704 -2059 324 3751 403 -1184 3682 4615 2879 3539 1869 -2070 -847 -2113 2951 3344 3325 2316 1578 206 -1195 -36 2152 1010 -738 3001 -843 -443 -822 -2746 -1423 -1485 -2283 -3618 -1204 -2594 -1988 -1279 -1155 -192 351 1136 765 1886 -243 -282 -1407 -1202 -1244 815 602 -169 793 -488 -1150 -1622 -765 -1178 -1295 -1814 -413 524 662 978 639 965 69 -134 -985 583 216 -54 820 459 1117 819 1294 852 571 -580 18 -834 587 127 -735 -570 -227 4 -163 -290 397 726 -68 355 -246 -692 -712 -8102 380 598 818 -946 -3224 695 -1067 -2460 -518 -961 -237 676 489 312 -920 -687 263 211 57 533 890 -658 -40 -278 254 -430 -1772 -1354 1477 12 -369 855 -1027 324 294 276 -434 1341 1856 -1229 1172 1402 1000 -108 496 211 -637 99 1156 138 -448 1433 1900 1264 1594 874 -1006 -401 -1012 1393 1702 1861 1411 988 126 -717 -22 1358 662 -538 2201 -640 -321 -553 -1865 -885 -913 -1522 -2551 -943 -2299 -1750 -1188 -1146 -202 384 1268 855 2006 -246 -266 -1375 -1179 -1216 876 679 -214 1048 -647 -1448 -1896 -907 -1433 -1558 -2323 -550 735 928 1477 1031 1590 112 -208 -1440 863 322 -78 1255 736 1790 1291 1970 1250 858 -846 26 -1230 862 204 -1265 -962 -395 8 -316 -555 774 1432 -134 677 -481 -1304 -1325 SS 20250526T113512.0Z 9277.482778 103 1 50.89 2 70.72 77.93 62.16 81.80 0.00 1 0.00 1 0 25 1.385e-01 9.622e-03 4.156e-02 2.643e-03 4.174390e-01 1.397252e-03 4.850840e-03 -6.000000e+00 8.405985e-02 231.79 -2.00 3.48 -2.00 319.10 0.00e+00 2.507021e-03 3.481454e-04 1.138372e-03 -6.000000e+00 3.720915e-03 285.67 -2.00 20.00 -2.00 318.32 0.00e+00 2.993 0.000 302.00 328.00 3 4.5554e+00 3.9130e-03 3.7201e-02 -6.0000e+00 2.1040e-01 1.6806e-02 4.5291e-03 2.1958e-02 -6.0000e+00 2.2756e-01 9.6988e-04 3.2595e-03 1.1077e-02 -6.0000e+00 1.3549e-01 -9.6745e-03 1.6892e-03 3.5017e-03 -6.0000e+00 5.6011e-02 1.6553e-04 -4.7399e-05 8.3160e-05 4.4094e-05 -6.0000e+00 4.2924e-03 1.0016e-02 6.0788e-05 12 9 8 11 40 0 72.72 23.60 1.02 0.01002 0.00966 18 3 1 5 0 2826.670 26.32 20.01 23.60 25.24 6.3 1007.49 37348 -33325 88154 31483 -28624 -61562 15570 -9952 88325 -3963 -21518 -15668 2720 15652 -2979 -10770 -8310 -8144 1827 -3505 1408 6069 -9774 -3329 -6225 -978 -3353 -9625 -7346 13977 -123 -3719 -148 -4068 -3934 -2285 -126 -1871 4455 2510 -1822 1958 1922 1474 -1965 1551 -1091 -1499 -2470 3450 -311 -196 1770 4604 2402 3560 686 -1102 -1280 -2845 719 4404 3580 1496 1139 -854 -504 -87 1435 1222 -582 2125 -604 590 -757 -1349 -1295 -1771 -2358 -3213 -656 -2484 -1733 -1592 760 -131 311 1176 771 1596 367 -431 -636 -1007 -1379 615 544 507 924 -265 -1025 -1197 -690 -1160 -1434 -970 -445 11 302 1007 603 601 -18 -277 -130 767 30 46 634 484 498 237 860 530 645 -596 6 -408 557 59 -917 -619 -287 -250 -108 -117 340 953 -68 -306 74 -282 -365 539 -1117 932 576 -893 -2586 317 -290 1070 -130 -876 -650 109 666 -182 -819 -679 -716 155 -329 130 540 -1050 -355 -725 -113 -401 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