File name: Pandora75s1_EssexMD_20250215_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250216T052331.0Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250215_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: 20250215 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 20250215T133533.4Z 9177.566359 291 1 25.07 2 73.47 122.28 93.27 271.07 0.00 1 0.00 1 0 17 1.220e-01 1.110e-02 5.485e-02 4.647e-03 4.162663e-01 2.409337e-03 4.883998e-03 -6.000000e+00 7.219414e-02 225.00 -2.00 3.48 -2.00 319.27 0.00e+00 1.870116e-03 6.217773e-04 1.340226e-03 -6.000000e+00 3.156859e-03 276.59 -2.00 20.00 -2.00 318.67 0.00e+00 3.460 0.001 302.00 328.00 3 4.4349e+00 6.6837e-03 4.0413e-02 -6.0000e+00 1.7835e-01 1.2579e-02 7.7608e-03 2.1530e-02 -6.0000e+00 1.9417e-01 -1.5748e-02 5.8681e-03 1.1216e-02 -6.0000e+00 1.1560e-01 2.3228e-03 3.0499e-03 3.6825e-03 -6.0000e+00 4.8023e-02 1.2501e-04 4.9261e-04 1.4819e-04 4.9755e-05 -6.0000e+00 3.7718e-03 1.0783e-02 1.1441e-04 12 9 9 12 41 1 99.20 22.98 0.54 0.01078 0.01448 7 3 1 5 0 3133.090 25.90 20.00 22.98 9.11 5.8 894.64 -38651 -47585 -22982 8187 -33679 -51790 28941 -25806 -44308 -31781 -21772 -6662 23522 52732 2421 -35303 -4302 -3618 -2002 -1814 -141 23187 -14347 -2566 -14566 -5014 1422 -11221 7062 26254 -10561 2558 9029 -5818 726 5014 -3839 -1370 2725 2369 -2511 7316 3119 1157 -1541 6302 1748 -3289 1130 2062 515 -2740 4601 4345 2603 2822 -388 -1174 -2642 1075 1375 4013 1807 1422 1053 -447 -502 -220 1278 1149 240 2590 -1416 -1734 -1050 -691 -1675 -2381 283 -792 -1278 -2665 -1651 -386 -2243 1092 -1056 1130 1116 1409 33 -757 -1126 -691 -1048 149 566 -506 1122 137 -1183 -1651 -653 -509 -1131 -1755 -337 639 201 1083 1287 740 610 -415 -221 599 188 -216 413 482 780 209 936 757 89 -540 -335 -590 326 428 -970 -640 -932 -369 209 245 117 473 -229 571 313 -827 -283 -1035 -1588 -634 178 -1038 -1854 485 -830 -1907 -1296 -839 -238 725 1458 132 -3216 -316 -284 -164 -155 -12 1608 -1495 -252 -1716 -561 151 -1312 669 2106 -1345 321 1174 -920 106 700 -637 -258 590 603 -681 1920 891 345 -477 1820 530 -1053 351 659 180 -1072 1802 1820 1162 1297 -188 -572 -1289 505 668 2055 1040 885 670 -278 -302 -133 819 757 174 1916 -1086 -1276 -711 -462 -1049 -1484 185 -545 -1004 -2367 -1570 -356 -2251 1129 -1172 1261 1243 1504 34 -715 -1096 -673 -1020 161 686 -638 1471 180 -1480 -1919 -769 -613 -1353 -2238 -448 892 282 1627 2054 1214 980 -639 -318 879 279 -313 630 766 1245 330 1422 1107 134 -784 -475 -867 479 681 -1670 -1076 -1631 -675 401 464 228 931 -453 1149 605 -1558 -525 SS 20250215T134208.7Z 9177.570934 295 1 35.56 2 72.40 123.53 94.53 272.07 0.00 1 0.00 1 0 17 1.076e-01 1.088e-02 3.150e-02 3.325e-03 3.936719e-01 1.715124e-03 4.584899e-03 -6.000000e+00 6.364488e-02 225.00 -2.00 3.48 -2.00 319.00 0.00e+00 1.719040e-03 4.045097e-04 9.441661e-04 -6.000000e+00 2.784288e-03 276.59 -2.00 20.00 -2.00 318.38 0.00e+00 3.262 0.001 302.00 328.00 3 4.4362e+00 4.7084e-03 3.8001e-02 -6.0000e+00 1.5723e-01 5.0644e-03 5.4225e-03 1.9991e-02 -6.0000e+00 1.7120e-01 -1.3559e-02 3.9043e-03 1.0256e-02 -6.0000e+00 1.0193e-01 3.7152e-04 2.0286e-03 3.3118e-03 -6.0000e+00 4.2319e-02 1.5600e-04 2.6175e-04 1.0572e-04 4.1839e-05 -6.0000e+00 3.3273e-03 1.2364e-02 3.1025e-05 12 9 9 12 41 1 98.12 22.98 1.14 0.01236 0.01433 11 3 1 5 0 2963.190 25.90 20.01 22.98 9.28 5.8 896.04 -85728 -26860 22584 3230 -21189 -15642 22488 -12732 -44039 -33035 -21485 -4443 14630 24208 14421 -18369 -3177 -6054 -2856 -4480 4345 2850 -3320 -2276 -10398 -4986 -4210 -4452 -9996 14243 -4398 -1669 6162 7582 397 1337 -1307 -3714 3182 3188 -1791 3789 1973 80 192 2842 503 -1857 -893 2266 529 783 3492 3159 1140 3192 341 -1356 -8 -990 1607 4061 2239 1609 851 -1341 -374 190 1665 895 -6 2964 1570 -737 -472 -1514 -1818 -2258 -1857 -3484 -1564 -1881 -2314 -1140 -1098 -37 451 746 635 1060 -314 -790 -752 -1192 -1179 -7 267 405 630 119 -1333 -1616 -598 -361 -1093 -966 -411 176 554 918 1387 842 -127 -206 -886 998 -107 497 163 -110 633 610 969 370 276 714 425 -852 804 -435 -601 -441 351 -20 -114 -301 402 92 -16 431 -154 -582 -817 -4827 -1045 564 95 -742 -502 518 -462 -2428 -1746 -1052 -197 621 1115 865 -1745 -283 -595 -288 -479 437 294 -376 -270 -1419 -672 -568 -583 -1342 1533 -623 -257 965 1222 67 225 -246 -833 797 848 -557 1186 655 28 67 972 176 -666 -321 816 208 332 1549 1497 576 1628 182 -736 -4 -528 867 2312 1304 1012 547 -846 -225 114 1061 642 -5 2371 1268 -583 -345 -1015 -1134 -1394 -1225 -2649 -1323 -1639 -2186 -1131 -1164 -38 490 830 705 1126 -339 -795 -715 -1142 -1216 -7 317 532 812 152 -1746 -1967 -687 -423 -1378 -1288 -537 242 813 1356 2163 1347 -200 -307 -1326 1405 -153 739 258 -171 985 932 1530 564 403 994 579 -1212 1214 -675 -992 -759 621 -35 -212 -587 798 177 -31 838 -290 -1058 -1477 SS 20250215T134759.4Z 9177.574993 298 1 52.52 2 71.46 124.66 95.64 272.96 0.00 1 0.00 1 0 17 5.758e-02 8.470e-03 1.694e-02 2.166e-03 3.774686e-01 1.115891e-03 4.389020e-03 -6.000000e+00 3.405426e-02 225.00 -2.00 3.48 -2.00 318.74 0.00e+00 1.778345e-03 2.444418e-04 7.812338e-04 -6.000000e+00 1.489870e-03 276.59 -2.00 20.00 -2.00 318.13 0.00e+00 3.107 0.000 302.00 328.00 3 4.2731e+00 3.0236e-03 3.6195e-02 -6.0000e+00 8.4128e-02 1.1751e-02 3.4543e-03 1.8984e-02 -6.0000e+00 9.1606e-02 -6.9999e-03 2.4086e-03 9.6714e-03 -6.0000e+00 5.4538e-02 -5.3742e-03 1.2535e-03 3.1547e-03 -6.0000e+00 2.2643e-02 2.1624e-04 1.7917e-04 6.9050e-05 3.8523e-05 -6.0000e+00 1.7805e-03 1.2270e-02 1.2698e-05 11 8 0 10 0 0 90.05 22.98 0.62 0.01227 0.01362 26 4 1 5 0 2019.770 25.90 20.00 22.98 9.44 5.8 897.16 -3012 -23709 19901 -5212 -23880 -24748 -3956 -17448 -29302 -14653 -10223 -12136 3506 10465 -1746 -9822 -6085 -4484 3214 -1661 1721 7167 -2569 -4131 -371 -3943 -2590 -5188 -7239 5059 -5206 -1510 1966 -4413 -841 -1641 -2908 -863 2111 2194 -709 1844 1181 -881 -184 583 606 -367 294 1701 -183 -443 1776 3261 478 2710 636 -444 -567 133 1501 2762 2746 1554 1400 -373 165 -393 1761 1157 774 1855 -112 -266 -778 -1357 -1744 -1743 -1627 -2510 -1202 -2034 -1855 -1442 -1063 58 489 950 815 1117 212 -481 -376 -1558 -835 33 465 395 211 10 -1262 -1494 -738 -618 -827 -1020 -708 -60 579 615 1203 400 315 -296 -365 528 237 326 528 287 492 522 696 563 565 -325 81 -305 711 42 -517 -501 -327 -222 -43 10 198 324 -11 421 31 -569 -799 -100 -1092 622 -204 -1044 -1056 -144 -803 -1684 -777 -538 -697 198 657 -146 -1010 -657 -509 357 -202 208 827 -336 -581 -53 -610 -398 -792 -1092 687 -852 -265 365 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