File name: Pandora55s1_QueensNY_20211219_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105105.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20211219_L1_smca1c19d20211111p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20211219 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: None First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20211219T143900.1Z 8023.610417 352 1 49.72 2 71.27 147.78 105.14 324.87 0.00 1 0.00 1 0 25 1.855e-01 1.284e-02 3.226e-02 2.690e-03 3.707914e-01 1.372012e-03 4.399268e-03 -6.000000e+00 1.078665e-01 222.93 -2.00 3.51 -2.00 318.54 0.00e+00 2.929110e-04 2.837736e-04 1.322671e-04 -6.000000e+00 4.753823e-03 276.99 -2.00 20.00 -2.00 317.92 0.00e+00 3.076 0.000 302.00 328.00 3 4.0629e+00 3.6862e-03 3.5742e-02 -6.0000e+00 2.6532e-01 4.3290e-02 4.2167e-03 1.8773e-02 -6.0000e+00 2.8888e-01 -9.0051e-03 2.8983e-03 9.3876e-03 -6.0000e+00 1.7229e-01 -1.2591e-03 1.5087e-03 2.7443e-03 -6.0000e+00 7.2597e-02 2.7307e-04 -1.6988e-04 8.3064e-05 3.3366e-05 -6.0000e+00 5.5291e-03 -4.6580e-03 1.8676e-04 12 9 8 11 32 0 99.98 22.68 0.43 -0.00466 -0.00593 22 4 1 5 0 2259.520 25.58 20.00 22.68 9.60 29.8 967.09 -28735 30922 178376 -35674 510 27245 -12189 73112 -11067 -10118 -29089 -18214 -21830 -21495 34213 -11084 -18151 929 18456 10498 11334 -1373 9915 -8149 -957 -3921 22448 -4124 -7212 -7116 -382 6429 -1343 -8196 421 14711 -2018 -5341 4380 321 -2879 1661 -3563 -2712 -1272 2323 -4243 4982 2267 3832 -486 -57 -1886 5064 3431 1580 3989 139 3269 -91 2061 3375 2535 -2324 1689 -2180 1106 -906 1998 1088 -1859 391 352 -1546 1343 177 800 3500 445 -71 -2149 162 -875 -1218 -2722 -1175 -1576 -770 -754 -383 -888 -706 241 1237 1168 588 -581 705 -343 -1011 -759 -769 -480 2083 450 -255 -448 -817 489 933 704 -1445 209 -48 -293 684 759 1689 413 187 -1245 -525 96 991 -217 422 -180 1122 514 -188 620 476 741 281 802 -751 587 -321 -225 -700 -328 -605 24 -295 -1483 1034 1570 -2296 22 870 -582 1743 -649 -631 -2238 -1328 -1836 -2096 2318 -1291 -2451 112 1987 1270 1397 -193 1280 -1302 -153 -676 3100 -710 -1227 -1194 -63 1093 -271 -1850 88 2647 -436 -1337 1178 104 -1071 637 -1483 -1146 -535 952 -1832 1988 924 1563 -214 -27 -950 2548 1828 881 2238 81 1848 -52 1170 1973 1596 -1622 1193 -1575 748 -604 1327 785 -1487 325 299 -1318 1077 135 564 2292 299 -51 -1725 140 -816 -1198 -2818 -1261 -1775 -891 -886 -447 -1008 -764 244 1196 1139 608 -654 853 -445 -1365 -1013 -984 -579 2404 537 -319 -584 -1102 679 1345 1069 -2309 335 -76 -445 990 1064 2360 598 283 -1951 -827 149 1504 -324 610 -254 1532 713 -275 949 759 1208 470 1372 -1343 1073 -600 -426 -1332 -614 -1109 42 -519 SS 20211219T144418.9Z 8023.614107 355 1 50.74 2 70.74 148.94 105.68 325.92 0.00 1 0.00 1 0 25 5.721e-02 8.672e-03 1.032e-02 1.718e-03 3.652401e-01 8.761926e-04 4.381484e-03 -6.000000e+00 3.325011e-02 222.93 -2.00 3.51 -2.00 318.23 0.00e+00 -2.816577e-04 1.651507e-04 1.676186e-04 -6.000000e+00 1.466188e-03 276.99 -2.00 20.00 -2.00 317.60 0.00e+00 2.997 0.000 302.00 328.00 3 3.4051e+00 2.3358e-03 3.4954e-02 -6.0000e+00 8.1783e-02 3.1874e-02 2.6558e-03 1.8514e-02 -6.0000e+00 8.9067e-02 -3.7949e-03 1.7593e-03 9.2466e-03 -6.0000e+00 5.3118e-02 -4.7293e-03 9.0936e-04 2.6668e-03 -6.0000e+00 2.2370e-02 5.7710e-04 -8.4154e-04 5.2739e-05 3.3172e-05 -6.0000e+00 1.7059e-03 -4.2152e-03 3.2378e-05 11 9 0 11 8 0 99.83 22.68 0.16 -0.00422 -0.01054 36 7 1 5 0 1408.590 25.58 20.01 22.68 9.74 29.8 967.55 -11649 8911 37456 -27680 686 11533 -10057 16592 -6175 -4278 -20908 -2135 -14132 -12685 11820 -6578 -8716 5876 6678 3921 3975 -688 3074 -4661 -905 -2755 9100 -865 -3434 -3366 49 3510 -585 -5732 -1352 7053 -2258 -1827 2973 39 -2051 -466 -2831 -1935 -292 919 -1726 532 947 1845 443 896 -242 2491 2101 1350 2397 20 1769 834 914 2050 1581 -1014 352 -1152 -28 -181 1805 1204 -609 85 -28 -933 301 50 588 1736 1084 169 -721 -372 -1422 -939 -2048 -1097 -1198 -659 -773 -562 -401 45 470 1168 1502 994 351 876 -190 -953 -849 -517 -121 1565 162 -497 -335 -740 282 112 195 -965 59 -184 -134 528 787 1281 460 -146 -1057 -536 -116 505 130 244 387 1257 765 80 307 271 370 210 355 -359 121 -10 -98 -542 -213 -306 -162 -288 -616 438 1485 -1959 35 509 -562 805 -414 -303 -1783 -160 -1314 -1348 1165 -862 -1257 787 933 584 608 -112 491 -836 -167 -546 1650 -167 -654 -631 9 704 -133 -1442 -327 1552 -557 -502 917 14 -839 -201 -1289 -893 -134 419 -802 241 428 839 211 450 -130 1380 1218 808 1460 13 1085 511 562 1294 1064 -741 264 -869 -20 -127 1267 908 -503 74 -25 -820 253 40 436 1215 763 127 -596 -333 -1368 -943 -2152 -1198 -1362 -770 -918 -663 -460 49 485 1157 1494 1043 396 1063 -246 -1282 -1132 -659 -146 1830 195 -624 -437 -995 390 161 293 -1515 93 -286 -201 759 1095 1780 659 -217 -1634 -832 -178 762 191 351 540 1708 1056 115 465 427 595 344 597 -626 216 -19 -181 -1005 -388 -547 -283 -497 SS 20211219T152121.9Z 8023.639836 374 1 28.90 2 67.57 157.37 109.07 333.51 0.00 1 0.00 1 0 25 1.189e-02 6.347e-03 2.825e-03 7.986e-04 3.216237e-01 4.083403e-04 3.901312e-03 -6.000000e+00 6.915421e-03 222.93 -2.00 3.51 -2.00 317.45 0.00e+00 -3.052428e-05 6.129393e-05 9.028767e-05 -6.000000e+00 3.048218e-04 276.98 -2.00 20.00 -2.00 316.82 0.00e+00 2.599 0.000 302.00 328.00 3 1.8366e+00 1.0706e-03 3.0437e-02 -6.0000e+00 1.7010e-02 2.5494e-02 1.2063e-03 1.6252e-02 -6.0000e+00 1.8521e-02 -8.8669e-03 7.3803e-04 8.0997e-03 -6.0000e+00 1.1046e-02 -8.9706e-04 3.6643e-04 2.3241e-03 -6.0000e+00 4.6540e-03 4.3271e-03 -3.9806e-04 2.4489e-05 2.9642e-05 -6.0000e+00 3.5457e-04 -5.4430e-03 1.1365e-04 12 1 1 12 1 1 99.98 22.68 0.18 -0.00544 -0.00843 147 47 1 5 0 194.090 25.58 19.99 22.68 9.54 29.8 966.99 -3661 -3334 -2092 -6694 -3551 -667 -2665 1981 -1184 -2058 -3120 -236 -264 -347 1487 -1671 -1386 -763 1621 847 -139 736 1430 582 404 -92 -316 -691 -165 1193 1254 1663 829 -1408 -1033 621 329 -1 979 -485 -1046 -1133 -1212 -997 -767 -574 -1245 -528 -506 791 738 473 735 1123 759 762 913 290 619 904 1533 1334 1383 192 -515 -205 279 367 1591 924 48 -167 -677 -511 -634 -88 289 892 1143 299 -114 -561 -1418 -1187 -1165 -1150 -769 -699 -516 -724 -119 252 380 1305 1521 1303 756 829 -395 -640 -534 -527 171 840 -238 -804 -375 -793 -88 -127 -20 -404 -134 -157 -3 672 895 902 486 -207 -666 -406 -175 -183 203 191 566 1474 955 383 531 -45 282 132 207 -389 -122 63 -438 -465 -290 -120 -185 77 -331 -337 -218 -710 -337 -58 -243 192 -133 -232 -365 -28 -34 -52 255 -332 -277 -160 347 190 -32 172 336 144 107 -26 -90 -191 -43 300 326 470 259 -445 -322 197 102 0 383 -228 -526 -615 -687 -545 -421 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