File name: Pandora159s1_Wakkerstroom_20210405_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T025811.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: B. Scholes Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora159_OF_v5d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20210405_L1_smca1c3d20201207p1-8.txt Full location name: Global Change Institute, University of Witwatersrand field site in Wakkerstroom Short location name: Wakkerstroom Country of location: South Africa Location latitude [deg]: -27.3493 Location longitude [deg]: 30.1438 Location altitude [m]: 1760 Local noon date: 20210405 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: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0731 305.2139 305.3547 305.4955 305.6363 305.7770 305.9178 306.0585 306.1992 306.3399 306.4806 306.6213 306.7620 306.9026 307.0433 307.1839 307.3246 307.4652 307.6058 307.7464 307.8869 308.0275 308.1681 308.3086 308.4492 308.5897 308.7302 308.8707 309.0112 309.1517 309.2921 309.4326 309.5730 309.7135 309.8539 309.9943 310.1347 310.2751 310.4155 310.5558 310.6962 310.8365 310.9769 311.1172 311.2575 311.3978 311.5381 311.6784 311.8186 311.9589 312.0991 312.2393 312.3795 312.5198 312.6599 312.8001 312.9403 313.0805 313.2206 313.3607 313.5009 313.6410 313.7811 313.9212 314.0612 314.2013 314.3414 314.4814 314.6214 314.7615 314.9015 315.0415 315.1814 315.3214 315.4614 315.6013 315.7413 315.8812 316.0211 316.1610 316.3009 316.4408 316.5807 316.7205 316.8604 317.0002 317.1400 317.2798 317.4196 317.5594 317.6992 317.8389 317.9787 318.1184 318.2582 318.3979 318.5376 318.6773 318.8170 318.9566 319.0963 319.2359 319.3756 319.5152 319.6548 319.7944 319.9340 320.0736 320.2131 320.3527 320.4922 320.6318 320.7713 320.9108 321.0503 321.1898 321.3292 321.4687 321.6081 321.7476 321.8870 322.0264 322.1658 322.3052 322.4446 322.5839 322.7233 322.8626 323.0019 323.1413 323.2806 323.4199 323.5591 323.6984 323.8377 323.9769 324.1162 324.2554 324.3946 324.5338 324.6730 324.8121 324.9513 --------------------------------------------------------------------------------------- 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: 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 77: 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 78: 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 79: 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 80: 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 81: 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 82: Atmospheric variability [%], 999=no atmospheric variability was determined Column 83: Wavelength effective temperature [°C], 999=no effective temperature given Column 84: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 85: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 86: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 87: Number of bright count cycles Column 88: Number of dark count cycles Column 89: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 90: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 91: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 92: Integration time [ms] Column 93: Spectrometer control temperature [°C], 999=no temperature signal Column 94: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 95: Temperature in head sensor [°C], 999=no temperature signal Column 96: Temperature at electronics board 1 [°C], 999=no temperature signal Column 97: Temperature at electronics board 2 [°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 20210405T043700.6Z 7765.192368 182 1 49.19 2 85.15 80.51 5.32 57.67 0.00 1 0.00 1 0 25 5.733e-01 4.414e-02 4.437e-01 1.900e-02 9.136330e-01 1.152527e-02 8.528497e-03 -6.000000e+00 3.358672e-01 226.52 -2.00 3.06 -2.00 322.52 0.00e+00 -3.300430e-03 7.520039e-03 1.036955e-02 -6.000000e+00 1.900966e-02 281.11 -2.00 20.00 -2.00 322.11 0.00e+00 10.093 0.006 302.00 328.00 3 3.3919e-01 4.9267e-02 1.1371e-01 -6.0000e+00 8.3643e-01 9.3884e-01 6.5698e-02 9.6978e-02 -6.0000e+00 9.1617e-01 -1.3761e+00 5.8477e-02 2.9917e-02 -6.0000e+00 5.3870e-01 5.6014e-01 2.7052e-02 1.1318e-02 -6.0000e+00 2.2688e-01 4.7234e-05 2.2807e-04 5.5412e-04 1.1293e-04 -6.0000e+00 1.6505e-02 1.3720e-02 12 8 8 10 0 0 15.66 19.27 0.54 0.01372 0.01543 60 13 4 8 0 819.620 15.00 19.27 12.80 21.58 21.48 16.2 866.35 19664 94504 -157495 900000 -146670 900000 -147750 900000 900000 -72295 900000 -156213 900000 92469 900000 -31162 900000 -49620 900000 -44334 -103645 -105131 -25663 900000 113677 900000 900000 900000 -120932 900000 31127 900000 -14065 2735 -5206 142121 25129 111568 105837 900000 142379 -6614 900000 82037 900000 -17096 142128 54386 50636 35150 13767 44835 1549 229245 15076 96148 26296 86601 105073 99935 16725 20833 3903 28562 26237 41362 44741 14005 77535 12579 47696 34610 41515 5043 45007 17420 -10598 14137 19475 18560 8069 20820 6763 5879 2163 5747 2253 3274 3326 2860 747 1393 16058 -1913 4443 -6208 479 -3322 -753 -3413 -449 -4205 -2630 -1766 -1515 2551 -36100 4551 -2742 1773 -1627 3577 -299 1585 -1091 2008 1616 -1160 -614 4 1615 3692 2542 3368 4331 -250 6310 3532 3034 3055 -607 1038 -290 497 -2039 -74 -418 777 -1753 453 -694 189 -312 363 1744 -5367 900000 -3332 900000 -3357 900000 900000 -1334 900000 -5323 900000 1707 900000 -619 900000 -1339 900000 -1133 -4562 -4478 -510 900000 2098 900000 900000 900000 -6010 900000 575 900000 -419 70 -133 2623 541 2059 1954 900000 2628 -347 900000 1893 900000 -947 2624 1673 1714 1514 762 2207 119 4232 1156 3698 1904 3597 3394 3228 1164 1538 393 2555 2533 3406 3621 1651 5963 1965 5689 4816 5187 831 4777 2004 -1550 1726 2655 3110 1787 4701 1940 1811 737 1999 848 1241 1242 1024 256 453 4537 -709 1817 -3376 289 -2415 -584 -2714 -322 -2765 -1550 -1048 -968 1659 -36856 3392 -2507 1807 -1962 4434 -395 2027 -1383 2415 1999 -1559 -868 5 2206 4676 3141 4026 4994 -293 6827 4298 4381 5141 -1188 2171 -658 1211 -5496 -205 -1179 2188 -4998 1195 -1703 424 -684 SS 20210405T045045.6Z 7765.201917 185 1 51.30 2 82.15 78.86 3.27 26.02 0.00 1 0.00 1 0 25 5.362e-01 7.667e-03 2.472e-01 2.526e-03 7.345443e-01 1.379570e-03 7.090107e-03 -6.000000e+00 3.025670e-01 226.52 -2.00 3.06 -2.00 321.68 0.00e+00 5.203257e-03 7.435628e-04 2.878652e-03 -6.000000e+00 1.352918e-02 281.11 -2.00 20.00 -2.00 321.16 0.00e+00 6.845 0.002 302.00 328.00 3 8.4177e-02 4.9924e-03 6.8436e-02 -6.0000e+00 7.5008e-01 1.1027e-01 7.4812e-03 4.5953e-02 -6.0000e+00 8.1646e-01 -9.3560e-02 8.2345e-03 1.9283e-02 -6.0000e+00 4.8672e-01 2.6175e-02 3.8019e-03 9.0633e-03 -6.0000e+00 2.0768e-01 8.8122e-04 -9.9878e-04 6.9236e-05 7.7115e-05 -6.0000e+00 1.4343e-02 1.3190e-02 11 9 0 11 8 0 26.26 19.27 0.26 0.01319 0.00569 310 67 2 8 0 159.300 14.99 19.27 14.31 21.58 21.48 16.2 875.23 -238417 900000 -212216 28482 -224014 131485 -172794 -122557 -116362 -180422 -11745 -181951 119778 -146457 106866 -94104 126733 -53464 17214 -47685 -37125 -13473 -26442 12485 -60464 8423 -60164 -4096 -64573 -2876 -28966 4198 -5950 2723 -9996 -7742 -3741 -10736 11996 -7884 8087 -10283 12611 -4603 1530 -488 7006 579 1406 5248 830 8250 1667 8162 760 5863 -1449 4242 323 3987 756 4827 3296 756 3319 632 4430 -1084 5132 -309 1699 -956 994 -206 -591 963 -109 355 629 803 -1142 -164 -2907 -71 -1564 -731 -794 -458 -306 -262 1309 312 967 -24 1965 -429 1360 -461 -355 -293 289 239 904 265 -1864 -1003 -1137 -237 -557 19 -552 -279 -256 602 488 1215 921 278 -132 -1158 -420 -206 271 -374 579 164 1643 1399 10 223 59 352 -75 357 -534 -247 -95 76 -660 34 -36 109 299 -1815 900000 -1615 70 -1755 324 -979 -483 -487 -1414 -29 -1874 295 -1902 263 -1159 312 -575 110 -566 -448 -129 -306 108 -1069 87 -1145 -48 -1301 -39 -577 74 -137 62 -248 -189 -98 -365 403 -387 382 -633 655 -294 94 -32 441 41 106 416 78 815 195 978 104 801 -219 601 46 544 111 766 615 165 747 144 975 -265 1329 -90 531 -318 318 -62 -178 255 -28 94 191 293 -460 -75 -1500 -38 -903 -445 -508 -300 -199 -163 747 169 507 -14 1230 -323 1175 -466 -390 -321 292 215 737 220 -1701 -958 -1150 -256 -669 26 -842 -450 -414 935 719 1714 1319 421 -213 -1945 -686 -321 403 -542 801 220 2101 1903 16 402 118 746 -168 852 -1274 -616 -241 194 -1697 89 -90 251 668 SS 20210405T045705.0Z 7765.206308 188 1 52.01 2 80.78 78.09 2.95 0.48 0.00 1 0.00 1 0 25 2.842e-01 6.009e-03 1.471e-01 1.453e-03 6.531611e-01 7.687551e-04 6.402804e-03 -6.000000e+00 1.603586e-01 226.52 -2.00 3.06 -2.00 321.26 0.00e+00 3.519073e-03 3.719450e-04 2.042355e-03 -6.000000e+00 7.099284e-03 281.11 -2.00 20.00 -2.00 320.72 0.00e+00 5.936 0.001 302.00 328.00 3 3.9992e-02 2.6168e-03 5.8335e-02 -6.0000e+00 3.9753e-01 5.7275e-02 3.6866e-03 3.6232e-02 -6.0000e+00 4.3271e-01 -2.9601e-02 3.8855e-03 1.5941e-02 -6.0000e+00 2.5776e-01 -1.4219e-04 1.8481e-03 7.1411e-03 -6.0000e+00 1.0938e-01 2.0242e-03 -8.5666e-04 4.0089e-05 6.0298e-05 -6.0000e+00 7.6001e-03 1.2919e-02 10 0 0 10 0 0 3.37 19.26 0.23 0.01292 0.00648 484 104 2 8 0 101.970 14.99 19.26 15.19 21.58 21.48 16.4 880.04 -41446 -120149 -17527 -135752 36352 -153314 -23168 -147190 15907 -90024 -41825 -85840 -29024 -12579 -48044 -13548 -33714 -13702 -35789 -11394 -38217 6048 -25980 -10574 -16020 -12215 -16907 -11997 -13809 -15748 -2451 -7965 5531 -15385 -2845 -9808 634 -1416 -307 -1989 -2889 -1373 -2475 -296 -1965 2088 -1894 2774 -1297 5506 3497 3394 3328 2308 1731 1068 867 -1346 1730 346 3382 566 3001 898 683 1239 1547 1368 1469 735 -247 -302 -1031 46 -909 807 -833 1186 875 -49 151 -935 -1815 -912 -715 -1216 -198 -713 176 -110 903 764 1163 1280 1056 674 702 320 -613 -41 -118 442 842 571 -1722 -850 -720 -735 -192 -321 -444 -525 134 287 587 1032 935 370 -162 -864 -630 -37 -152 -48 399 203 1107 1513 84 265 72 187 -1 196 -436 -414 154 -138 -409 -183 117 57 455 -100 -749 -42 -944 52 -1185 -59 -1365 36 -638 -196 -730 -181 -87 -551 -146 -460 -171 -609 -161 -729 82 -469 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