File name: Pandora132s1_Berlin_20250405_L2Fit_fout2c13d20210422p1-8.txt File generation date: 20250405T231519.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c13p1-8 Local principal investigator: Thomas Ruhtz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 132 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora132_OF_v1d20200910.txt Instrument calibration file used: Pandora132s1_CF_v13d20210422.txt Level 1 file used: Pandora132s1_Berlin_20250405_L1_smca1c13d20210422p1-8.txt Full location name: Institute of Space Sciences FU Berlin Short location name: Berlin Country of location: Germany Location latitude [deg]: 52.4600 Location longitude [deg]: 13.3100 Location altitude [m]: 100 Local noon date: 20250405 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: Modification of session 11, but different RefDay (April 2021). First and last pixel inside fitting window: 243 385 Nominal wavelengths inside fitting window [nm]: 305.1071 305.2480 305.3889 305.5298 305.6707 305.8116 305.9524 306.0932 306.2341 306.3749 306.5157 306.6565 306.7973 306.9380 307.0788 307.2195 307.3603 307.5010 307.6417 307.7824 307.9231 308.0638 308.2044 308.3451 308.4857 308.6264 308.7670 308.9076 309.0482 309.1888 309.3293 309.4699 309.6104 309.7510 309.8915 310.0320 310.1725 310.3130 310.4534 310.5939 310.7344 310.8748 311.0152 311.1556 311.2960 311.4364 311.5768 311.7172 311.8575 311.9979 312.1382 312.2785 312.4188 312.5591 312.6994 312.8397 312.9800 313.1202 313.2604 313.4007 313.5409 313.6811 313.8213 313.9615 314.1016 314.2418 314.3819 314.5221 314.6622 314.8023 314.9424 315.0825 315.2225 315.3626 315.5026 315.6427 315.7827 315.9227 316.0627 316.2027 316.3427 316.4827 316.6226 316.7626 316.9025 317.0424 317.1823 317.3222 317.4621 317.6020 317.7418 317.8817 318.0215 318.1613 318.3012 318.4410 318.5807 318.7205 318.8603 319.0000 319.1398 319.2795 319.4192 319.5589 319.6986 319.8383 319.9780 320.1177 320.2573 320.3969 320.5366 320.6762 320.8158 320.9554 321.0949 321.2345 321.3741 321.5136 321.6531 321.7927 321.9322 322.0717 322.2111 322.3506 322.4901 322.6295 322.7689 322.9084 323.0478 323.1872 323.3266 323.4659 323.6053 323.7447 323.8840 324.0233 324.1627 324.3020 324.4413 324.5805 324.7198 324.8591 324.9983 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20250405T053847.9Z 9226.235276 171 1 49.32 2 80.64 92.03 101.25 1.93 0.00 1 0.00 1 0 17 6.520e-01 1.465e-02 3.707e-01 8.891e-03 8.664813e-01 5.007189e-03 1.002434e-02 -6.000000e+00 3.706911e-01 226.78 -2.00 3.85 -2.00 322.08 0.00e+00 9.267061e-03 2.597621e-03 3.178266e-03 -6.000000e+00 1.571422e-02 271.02 -2.00 20.00 -2.00 321.66 0.00e+00 5.855 0.004 302.00 328.00 3 1.6928e+00 1.7554e-02 8.1338e-02 -6.0000e+00 9.2205e-01 4.5217e-01 2.6152e-02 6.3567e-02 -6.0000e+00 1.0061e+00 -6.0800e-01 2.9332e-02 2.8727e-02 -6.0000e+00 5.9564e-01 2.5358e-01 1.3603e-02 1.2152e-02 -6.0000e+00 2.4834e-01 1.1966e-04 -1.4580e-03 2.4428e-04 1.3589e-04 -6.0000e+00 1.7829e-02 -8.6227e-03 0.0000e+00 12 8 8 10 0 0 98.94 19.92 0.28 -0.00862 -0.01958 95 20 4 8 0 519.060 14.58 19.92 12.72 25.79 26.11 30.4 971.99 -70327 -250027 -266600 -230205 -197101 -218064 -251880 -168985 -137340 -228049 -1834 -73302 -190330 -126998 -127646 17519 -60330 26658 -85457 -17244 -58750 -49284 -46791 -20469 -53917 -66464 -14455 61655 -63753 -88629 -8937 -42103 -10745 -31857 -30958 43653 4784 -10111 14557 39061 14375 28350 -11356 30904 28559 -16294 26194 19629 38415 8396 44503 16041 12314 16373 20442 21876 7668 15123 14602 10510 298 18925 16259 12384 13481 6361 12957 8873 7759 3648 8200 3331 5899 3873 3350 -1025 -5317 -2522 -2391 4330 -128 394 -1206 -1443 737 -1325 165 -1838 2337 -875 844 967 -3153 -1414 -1929 -120 -1923 446 361 -480 -873 -2625 62 -1797 -2323 -2542 -519 -1642 270 -1567 -590 -560 -156 -277 -1006 160 28 764 206 188 707 870 2033 -53 1942 914 1124 1555 787 -244 498 70 -103 292 -462 183 -375 713 -5 9 -20 -1133 -736 -610 -4139 -5464 -3085 -1709 -2234 -3772 -1465 -1191 -3236 -16 -636 -3300 -1602 -2113 152 -785 231 -1704 -179 -917 -684 -649 -231 -888 -1268 -163 535 -1216 -2536 -147 -1205 -261 -994 -913 606 108 -316 429 1050 548 1008 -630 1152 1114 -1031 1136 970 1699 553 2315 1252 1100 1519 1914 2086 851 1521 1418 1048 35 2068 2129 1922 2197 1114 2157 1646 1655 843 1958 853 1418 873 747 -215 -1129 -562 -630 1181 -43 152 -517 -659 349 -677 87 -1002 1203 -444 394 428 -1454 -699 -1121 -82 -1570 409 359 -477 -801 -2160 46 -1362 -1889 -2190 -466 -1626 298 -2023 -846 -856 -239 -416 -1457 223 41 1143 325 300 1085 1259 2791 -72 2506 1150 1402 2113 1255 -452 1015 154 -242 733 -1246 509 -1068 2013 -14 25 -49 -2582 -1641 SS 20250405T055510.2Z 9226.246646 179 1 29.38 2 78.15 95.31 101.12 5.49 0.00 1 0.00 1 0 25 5.020e-01 1.235e-02 2.785e-01 6.519e-03 7.159532e-01 3.535597e-03 8.515972e-03 -6.000000e+00 2.883504e-01 226.78 -2.00 3.85 -2.00 321.41 0.00e+00 4.787497e-03 1.613434e-03 1.277966e-03 -6.000000e+00 1.232144e-02 271.02 -2.00 20.00 -2.00 320.95 0.00e+00 4.721 0.002 302.00 328.00 3 2.5916e+00 1.1378e-02 6.3047e-02 -6.0000e+00 7.1946e-01 1.8702e-01 1.5841e-02 4.3894e-02 -6.0000e+00 7.8606e-01 -2.2545e-01 1.7319e-02 2.2340e-02 -6.0000e+00 4.6160e-01 9.0092e-02 8.3297e-03 8.5466e-03 -6.0000e+00 1.9117e-01 1.6862e-04 -1.0905e-03 1.8397e-04 9.0617e-05 -6.0000e+00 1.3983e-02 -6.3235e-03 0.0000e+00 12 9 9 12 1 1 97.97 19.75 0.30 -0.00632 -0.01452 35 13 1 8 0 815.700 14.58 19.75 13.22 26.00 26.32 30.4 973.72 -226247 -86334 -239393 -108060 -180297 -169916 900000 -178844 900000 -207279 19220 -142091 -86102 -98795 14952 42523 -23644 -3631 -39935 88503 -51694 26157 -56864 28355 -16599 8205 45060 -66725 30148 -24566 30713 -25737 29615 -9459 7684 -12569 -42179 22928 -10952 27913 -8974 9214 12210 5009 1849 4018 19502 -1802 21135 1240 18580 5811 9893 6572 3986 6838 1701 9194 2425 7368 -383 7381 6043 6012 6261 1964 5965 -479 4507 316 4979 1842 1108 1387 423 -169 -3908 1108 -2649 82 -2501 -275 -3126 -1963 -279 -1782 1321 -1428 1804 -1464 1507 -532 -1334 -482 -1841 -218 -1193 1073 -1178 1276 -673 -967 -174 -999 -1099 -1018 1085 -1123 176 -414 285 0 -178 329 -477 452 387 349 -462 96 -404 679 765 -9 1004 -634 1675 760 464 80 482 -2 -68 357 -971 139 170 538 -175 61 -263 -634 -368 -3660 -549 -5394 -687 -1979 -1669 900000 -2376 900000 -4311 122 -2167 -985 -1695 105 270 -331 -46 -787 562 -1216 283 -1482 342 -338 136 515 -2290 402 -640 566 -1014 772 -379 249 -503 -2546 874 -717 1455 -753 691 931 420 163 357 1537 -184 1827 130 2019 732 1315 976 640 1110 296 1461 399 1145 -68 1356 1292 1438 1555 500 1458 -132 1339 112 1821 713 419 486 135 -49 -1127 320 -920 33 -1212 -148 -1878 -1237 -184 -1265 952 -1076 1295 -1035 965 -327 -812 -311 -1378 -188 -1202 1100 -1320 1374 -740 -951 -158 -939 -1107 -1081 1194 -1249 215 -574 432 0 -282 499 -691 630 551 522 -734 154 -638 1012 1096 -13 1459 -898 2287 1128 723 141 923 -5 -147 818 -2401 354 407 1397 -452 149 -600 -1363 -779 SS 20250405T060031.1Z 9226.250360 181 1 49.34 2 77.34 96.38 101.04 6.65 0.00 1 0.00 1 0 25 5.038e-01 1.601e-02 3.276e-01 1.119e-02 6.730093e-01 6.042771e-03 8.146042e-03 -6.000000e+00 2.915068e-01 226.78 -2.00 3.85 -2.00 321.29 0.00e+00 5.108160e-03 2.674307e-03 1.737135e-03 -6.000000e+00 1.279460e-02 271.02 -2.00 20.00 -2.00 320.83 0.00e+00 4.440 0.002 302.00 328.00 3 3.8569e+00 1.9212e-02 5.8613e-02 -6.0000e+00 7.2779e-01 1.8756e-01 2.5934e-02 3.9137e-02 -6.0000e+00 7.9687e-01 -1.9126e-01 2.7835e-02 2.2200e-02 -6.0000e+00 4.6658e-01 7.2399e-02 1.3542e-02 8.9883e-03 -6.0000e+00 1.9248e-01 6.3660e-05 -4.1614e-05 3.2712e-04 1.1735e-04 -6.0000e+00 1.4102e-02 -5.2058e-03 0.0000e+00 12 9 8 11 8 0 99.89 19.53 0.40 -0.00521 -0.00552 24 5 1 8 0 2055.310 14.83 19.53 13.35 26.00 26.41 30.4 974.30 -129832 -185511 -71175 33217 -235089 900000 -127511 900000 -169680 -191635 -119783 900000 900000 -48596 900000 -29505 259641 -70507 5883 86641 -1146 -73251 -12449 75219 -45008 -20629 27669 -52701 34434 -43855 -18495 -8284 900000 -15741 -13552 -53477 80832 -1212 43048 6861 -11801 22173 32239 15980 -1642 25639 6069 22099 -5907 21080 23828 -6078 14933 10106 17324 4516 6427 4715 4369 2913 812 12421 6055 6691 4611 8206 -574 788 1729 2473 -765 -3149 1276 -3372 1502 -2131 3238 -5216 5985 -27 -4823 5588 -6013 -662 -3263 -550 -21 733 1447 -1240 2182 -395 -2146 -3020 228 -646 -891 -159 -1413 667 25 -1664 -1923 -646 -2987 140 -573 117 707 426 959 -782 611 279 1086 5 -11 410 855 -32 -536 406 228 -177 3 1081 765 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