File name: Pandora75s1_EssexMD_20250109_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20250110T052348.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20250109_L1_smca1c1d20221230p1-8.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: 20250109 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-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 20250109T141750.9Z 9140.595728 199 1 50.57 2 73.74 138.02 116.93 17.72 0.00 1 0.00 1 0 17 2.771e-01 1.158e-02 1.990e-01 7.117e-03 5.638465e-01 3.940808e-03 6.693312e-03 -6.000000e+00 1.664571e-01 223.75 -2.00 3.48 -2.00 320.67 0.00e+00 -4.965303e-04 1.522750e-03 2.795756e-03 -6.000000e+00 7.300130e-03 277.03 -2.00 20.00 -2.00 320.16 0.00e+00 3.513 0.001 302.00 328.00 3 4.2767e+00 1.2045e-02 4.7422e-02 -6.0000e+00 4.0990e-01 1.1713e-01 1.5321e-02 3.4512e-02 -6.0000e+00 4.4405e-01 -1.1586e-01 1.4620e-02 1.6560e-02 -6.0000e+00 2.6404e-01 3.5564e-02 7.3060e-03 4.7919e-03 -6.0000e+00 1.1288e-01 1.0999e-04 -6.3710e-04 2.2801e-04 7.3498e-05 -6.0000e+00 8.5216e-03 -2.6673e-02 2.5371e-04 12 9 8 11 16 0 5.34 22.70 0.19 -0.02667 -0.03146 14 2 1 5 0 3611.910 25.58 20.00 22.70 3.04 5.7 847.45 -23860 -49097 -70492 -115282 -83161 900000 -84682 -89544 -94686 97096 -114028 -122983 -61167 -17531 -21017 -47286 12687 -25219 6154 -27915 -10604 -22174 5400 1133 -13308 -12127 -8789 -8549 -9709 -14678 4778 -38036 20867 1574 15292 -13702 7843 -3229 9600 9449 5559 3390 4318 6289 2257 6928 -5049 8204 2880 10317 2998 5221 3633 5820 6373 -827 4105 -3409 -1028 -1771 1407 -355 3403 4218 2520 719 2022 85 3158 1915 1737 -1353 2000 1065 12 -3179 -1926 -4531 -3424 -4554 -1053 -3710 -955 -1441 -479 524 1398 2586 -321 1073 1125 830 -1588 -1564 -1179 920 918 458 162 -592 -2023 -1774 -150 -2703 -1292 -1594 -484 -770 289 930 890 951 -242 -485 -205 449 989 -530 598 -62 1098 283 1157 190 1268 -470 -303 -91 -218 -320 -17 55 -248 38 -130 -48 -94 675 -393 -473 726 -747 -166 -426 -815 -2066 -1101 900000 -1175 -1468 -1851 674 -3164 -4111 -1312 -299 -451 -1551 256 -811 155 -1039 -341 -811 157 37 -546 -520 -371 -350 -392 -648 196 -2759 948 92 772 -925 465 -250 793 930 642 430 566 825 310 1009 -837 1212 464 1632 557 1047 807 1365 1574 -228 1105 -986 -284 -487 386 -107 1102 1484 934 266 727 32 1253 866 860 -720 1019 519 5 -1341 -751 -1823 -1494 -2322 -597 -2432 -663 -1071 -376 432 1195 2234 -284 897 877 607 -1147 -1159 -956 831 946 530 199 -728 -2371 -1899 -148 -2771 -1384 -1809 -575 -981 397 1391 1439 1594 -407 -781 -311 653 1437 -813 954 -103 1787 452 1768 281 1776 -645 -408 -128 -339 -548 -32 106 -506 83 -296 -115 -229 1651 -960 -1109 1596 -1591 SS 20250109T142329.9Z 9140.599651 202 1 53.17 2 73.01 139.16 116.58 19.06 0.00 1 0.00 1 0 17 2.807e-01 1.676e-02 5.977e-02 3.363e-03 5.342014e-01 1.797098e-03 6.503378e-03 -6.000000e+00 1.677557e-01 223.75 -2.00 3.48 -2.00 319.77 0.00e+00 3.743720e-03 5.430568e-04 2.377909e-03 -6.000000e+00 7.288469e-03 277.03 -2.00 20.00 -2.00 319.24 0.00e+00 3.372 0.001 302.00 328.00 3 4.2737e+00 5.0876e-03 4.3909e-02 -6.0000e+00 4.1348e-01 1.2259e-01 6.0438e-03 2.8842e-02 -6.0000e+00 4.4793e-01 -1.6338e-01 5.0325e-03 1.5805e-02 -6.0000e+00 2.6684e-01 6.9272e-02 2.6199e-03 5.5079e-03 -6.0000e+00 1.1422e-01 1.2985e-04 -1.1428e-03 1.0203e-04 8.1176e-05 -6.0000e+00 8.6296e-03 -2.4561e-02 2.0583e-04 12 9 8 11 40 0 74.90 22.71 -0.18 -0.02456 -0.03315 16 3 1 5 0 3322.960 25.68 20.00 22.71 3.23 5.7 849.21 -163953 -61686 -58316 -43701 -113974 -99817 -671 -37998 -76319 -66429 -83685 -57576 94334 82646 12721 302 4047 -7192 68859 30315 15352 24432 -14539 -15041 -14798 5754 13674 -1315 9794 582 9331 -301 2998 1031 23891 -16959 -14716 2413 3725 1401 1496 3253 6105 2443 7214 8477 1300 2056 6492 11494 3181 1730 10242 8398 -691 387 2489 165 1975 -791 -2006 4031 3420 2711 2176 -453 -1173 -144 3210 4528 -1357 1389 99 -449 -82 -749 -4609 -3944 -1515 -2901 -809 -5411 -1453 -111 -1157 -1960 1708 474 -52 2441 -1158 -781 -347 -2855 -2127 -145 -491 889 583 243 -1069 -2167 -1821 -996 -999 -1553 86 895 494 1615 1348 382 653 -573 -733 91 330 535 -5 963 1022 1156 1966 319 1236 -887 -186 -950 -478 -39 -71 -706 167 -115 -311 110 523 739 -382 39 -475 -1256 -9090 -1434 -1408 -899 -4383 -3184 -9 -810 -2628 -2222 -3485 -2020 866 1057 400 13 183 -396 1897 1282 770 1122 -1011 -1110 -1150 379 843 -92 601 41 682 -28 303 113 2037 -2163 -1983 317 578 261 312 714 1361 579 1651 1943 324 517 1607 2849 930 563 3315 2699 -255 146 935 63 726 -297 -789 1625 1543 1346 1122 -234 -598 -74 1732 2706 -938 972 69 -300 -50 -418 -2499 -2133 -876 -1962 -564 -4440 -1245 -99 -1120 -2031 1648 474 -52 2477 -1137 -713 -303 -2611 -2117 -148 -575 1150 745 309 -1392 -2615 -2058 -1131 -1202 -1985 115 1173 705 2496 2100 621 1046 -886 -1149 136 495 836 -8 1522 1609 1895 3091 489 1796 -1266 -258 -1393 -766 -64 -124 -1317 322 -220 -631 232 1122 1601 -827 80 -938 -2390 SS 20250109T142858.8Z 9140.603458 205 1 52.32 2 72.33 140.28 116.22 20.34 0.00 1 0.00 1 0 17 2.150e-01 9.425e-03 1.729e-01 5.270e-03 5.236606e-01 2.841953e-03 6.207975e-03 -6.000000e+00 1.285477e-01 223.75 -2.00 3.48 -2.00 320.32 0.00e+00 3.114606e-03 1.022087e-03 1.961395e-03 -6.000000e+00 5.584071e-03 277.03 -2.00 20.00 -2.00 319.82 0.00e+00 3.249 0.001 302.00 328.00 3 4.2636e+00 8.3802e-03 4.2571e-02 -6.0000e+00 3.1684e-01 7.4720e-02 1.0435e-02 2.8300e-02 -6.0000e+00 3.4320e-01 -5.2961e-02 9.7393e-03 1.5779e-02 -6.0000e+00 2.0446e-01 8.9333e-03 4.9603e-03 5.5560e-03 -6.0000e+00 8.7546e-02 1.4906e-04 -1.1189e-03 1.6526e-04 7.8977e-05 -6.0000e+00 6.6105e-03 -2.6311e-02 2.1577e-04 12 9 8 11 24 0 18.93 22.72 0.26 -0.02631 -0.03472 17 3 1 5 0 3077.580 25.68 20.00 22.72 3.36 5.7 849.95 75896 563 -53692 -50396 -77113 -48798 -66756 -119164 -77095 38517 -32124 28419 -78752 -23362 -51179 16322 -40002 28485 -13939 -2316 -14455 -24462 2195 -21905 -8555 -17312 -5882 -8903 10226 -13508 -5591 3662 -1081 4568 -6775 -5026 -75 3807 -11283 6596 -141 4070 -1980 4628 1323 -2204 1355 53 -774 -1958 9650 177 3828 3240 1712 3148 1421 3608 865 954 -971 2255 3007 4312 3471 1626 595 -439 466 760 1657 -547 1579 559 26 -2829 -3820 -2094 -4632 682 -1140 -1085 -2175 -1010 -1005 -741 666 924 799 119 1268 232 -1541 -2196 -1081 945 453 -127 527 186 -1040 -1076 -1164 -984 -1418 -1515 -614 657 585 862 772 642 83 -317 -473 -212 588 -627 810 572 277 271 625 669 518 -161 -485 906 -790 -481 -286 -454 -128 -142 199 -218 438 385 236 41 -573 -491 390 4 -702 -636 -1189 -547 -936 -3118 -1477 252 -450 239 -2318 -491 -1745 336 -1626 639 -514 -80 -581 -1097 78 -1054 -384 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