File name: Pandora64s1_NewHavenCT_20250421_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250422T051535.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250421_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20250421 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20250421T111928.4Z 9242.471857 163 1 48.82 2 76.65 85.60 64.78 176.70 0.00 1 0.00 1 0 25 3.036e-01 1.632e-02 1.009e-01 5.456e-03 5.915559e-01 3.023378e-03 7.081912e-03 -6.000000e+00 1.841156e-01 229.05 -2.00 3.52 -2.00 320.56 0.00e+00 4.787019e-03 1.158919e-03 2.702217e-03 -6.000000e+00 8.027751e-03 280.75 -2.00 20.00 -2.00 319.98 0.00e+00 4.225 0.001 302.00 328.00 3 4.2016e+00 9.2807e-03 5.3561e-02 -6.0000e+00 4.5897e-01 1.5795e-01 1.1490e-02 3.3545e-02 -6.0000e+00 4.9625e-01 -2.1964e-01 9.9583e-03 1.8325e-02 -6.0000e+00 2.9493e-01 8.6293e-02 4.9502e-03 6.3619e-03 -6.0000e+00 1.2456e-01 5.7988e-05 -8.5644e-04 1.6600e-04 1.0296e-04 -6.0000e+00 9.0310e-03 6.0901e-03 -1.1311e-04 12 8 8 10 0 0 93.45 21.10 -0.02 0.00609 -0.00035 16 4 1 5 0 3050.560 25.58 20.00 21.10 15.51 39.3 993.17 -134208 -101251 -99479 -95813 -41669 -84572 -106539 -110250 -46422 -61515 -122402 -4015 -62284 -37335 -28924 -43385 -50287 -6444 -35712 29730 14962 32539 25284 -16005 -18540 9657 -13656 1783 -30661 -66994 -21656 4011 4127 5579 -7571 13911 -3418 6576 8707 14884 7645 9009 4161 -5385 7239 10057 9752 3093 3121 -6051 17063 11981 14727 6057 8397 2047 4896 386 6032 4474 730 4509 4042 341 9165 -497 3691 4331 3921 -1198 1856 2439 -690 -1556 -1804 -2459 5779 -2061 -2096 -74 -2196 -3600 -2664 -3445 -549 -2114 282 -648 2060 1440 -197 -99 -1765 -1320 -54 -401 -1005 937 613 -744 -1152 -1797 -3619 -602 -1437 -1988 -929 1322 -267 628 1016 245 336 525 -448 -646 9 -283 928 1587 129 536 1372 745 87 748 -1187 1635 1232 503 32 -711 -984 -260 967 -218 -496 525 472 -29 -563 -1413 -3780 -2250 -2241 -1919 -485 -1547 -2467 -2933 -756 -1227 -4481 -57 -1891 -1098 -950 -1887 -2423 -232 -1710 819 478 876 775 -786 -975 396 -701 76 -1767 -6257 -1517 247 285 381 -566 892 -296 612 950 1746 989 1216 615 -887 1074 1481 1469 517 544 -1249 3110 2506 3237 1554 2172 582 1368 111 1610 1231 223 1472 1403 133 3276 -190 1375 1677 1724 -620 986 1308 -367 -783 -828 -1041 2317 -893 -1046 -42 -1384 -2576 -2011 -2785 -463 -1907 246 -577 1841 1223 -159 -76 -1357 -1083 -49 -403 -1151 1120 759 -900 -1361 -1948 -3850 -658 -1684 -2341 -1159 1729 -391 961 1659 410 550 817 -669 -950 13 -447 1530 2638 213 851 2102 1097 130 1077 -1730 2522 2040 881 60 -1368 -1997 -555 2094 -491 -1139 1208 1064 -65 -1207 -2922 SS 20250421T113004.1Z 9242.479214 166 1 48.54 2 74.67 87.31 64.69 179.33 0.00 1 0.00 1 0 25 1.598e-01 8.267e-03 2.107e-02 1.222e-03 5.288050e-01 6.629748e-04 6.132557e-03 -6.000000e+00 9.689433e-02 229.05 -2.00 3.52 -2.00 319.80 0.00e+00 1.865084e-03 2.044521e-04 7.121751e-04 -6.000000e+00 4.224385e-03 280.75 -2.00 20.00 -2.00 319.19 0.00e+00 3.711 0.001 302.00 328.00 3 2.2471e+00 1.9100e-03 4.6491e-02 -6.0000e+00 2.4154e-01 5.2931e-03 2.2808e-03 2.7859e-02 -6.0000e+00 2.6115e-01 -2.8595e-02 1.9055e-03 1.4208e-02 -6.0000e+00 1.5521e-01 5.1126e-03 9.8255e-04 4.5414e-03 -6.0000e+00 6.5555e-02 7.4337e-04 -5.5620e-04 3.7017e-05 5.4429e-05 -6.0000e+00 4.7523e-03 5.6262e-03 -1.0714e-04 11 8 0 10 0 0 98.61 21.10 0.19 0.00563 0.00145 124 30 1 5 0 391.330 25.58 19.99 21.10 16.17 39.2 995.63 -40423 -55040 -28062 -47835 -115268 -52753 -51942 -47435 -29761 -38385 -24959 -33697 -16158 -26182 -1962 -11163 -33 -6345 881 -5634 -1493 -3647 -928 -5764 499 -2487 -4109 -7559 -6630 -9428 2396 -1897 2174 -2347 -5208 -4156 -2746 -731 1183 980 932 -743 816 -725 1086 1784 855 339 -143 -380 2030 1525 1970 2080 735 1410 1075 462 290 625 461 2014 2193 3211 1201 -475 101 -722 966 1685 201 868 -271 649 -669 -975 -776 -2067 -856 -300 -1613 -680 -2042 -1732 -658 -679 163 482 1205 873 315 268 -929 -83 654 134 -129 1273 486 -328 -698 -1899 -2195 365 146 -1397 -332 -723 -251 332 729 302 179 -15 -353 -285 420 -53 842 417 72 -286 808 202 1067 614 -1028 391 755 122 455 -614 -677 -346 455 -199 -384 528 400 -269 159 -929 -602 -948 -421 -815 -3347 -943 -1021 -1012 -592 -887 -535 -851 -424 -930 -66 -468 -1 -303 41 -298 -77 -196 -52 -367 32 -169 -283 -522 -461 -748 196 -183 226 -256 -566 -480 -328 -103 197 188 194 -167 188 -171 257 427 209 86 -38 -100 581 478 664 751 279 551 429 183 113 248 195 927 1035 1618 612 -238 51 -381 567 1098 132 576 -176 421 -401 -537 -414 -1161 -542 -204 -1258 -550 -1780 -1600 -648 -663 164 489 1195 872 295 237 -816 -77 674 148 -152 1638 647 -424 -845 -2258 -2538 437 177 -1786 -449 -990 -374 510 1188 499 289 -22 -540 -427 642 -81 1350 685 116 -450 1224 310 1568 874 -1470 595 1206 203 807 -1095 -1267 -685 908 -412 -811 1120 834 -538 317 -1800 SS 20250421T114512.0Z 9242.489722 173 1 48.64 2 71.82 89.79 64.70 183.09 0.00 1 0.00 1 0 25 1.024e-01 9.507e-03 1.793e-02 1.729e-03 4.518491e-01 9.293041e-04 5.309640e-03 -6.000000e+00 6.212158e-02 229.05 -2.00 3.52 -2.00 319.15 0.00e+00 1.803434e-03 2.306011e-04 5.293840e-04 -6.000000e+00 2.707632e-03 280.75 -2.00 20.00 -2.00 318.50 0.00e+00 3.163 0.001 302.00 328.00 3 3.5485e+00 2.5802e-03 3.9621e-02 -6.0000e+00 1.5486e-01 1.6852e-02 2.9820e-03 2.3637e-02 -6.0000e+00 1.6742e-01 -2.9435e-02 2.2215e-03 1.1889e-02 -6.0000e+00 9.9502e-02 6.6357e-03 1.1602e-03 3.7700e-03 -6.0000e+00 4.2037e-02 3.7091e-04 -4.2845e-04 5.3198e-05 4.3858e-05 -6.0000e+00 3.0458e-03 5.2645e-03 -5.6945e-05 12 8 8 10 0 0 99.29 21.09 0.09 0.00526 0.00204 43 10 1 5 0 1130.900 25.58 20.01 21.09 16.43 39.5 996.85 -19595 -14911 -22726 -23519 -101953 -18662 -18618 -12868 -10220 -13945 -21918 -5507 -8929 -4834 409 578 -1469 5671 -139 3715 2386 5786 2651 364 -1025 -525 -2241 -3186 -4941 -6663 914 -324 1713 366 -2969 -2430 107 -1329 697 315 -9 -1117 1526 -2300 147 708 676 9 728 -1454 2778 1794 2848 1558 1138 565 1211 218 784 110 1031 1587 2283 2142 1426 -1156 105 -1077 891 1910 883 358 -120 -45 -589 -1024 -170 -2470 -646 -649 -1604 -1058 -2152 -2198 -567 -516 516 393 1437 593 222 199 -1399 -180 555 319 -381 979 685 -342 -592 -1800 -2363 213 358 -1413 -382 -255 -318 418 957 380 119 34 -305 -336 374 -85 794 539 -136 16 805 376 992 747 -1386 603 924 251 284 -659 -660 -375 531 -166 -312 498 407 -415 -5 -982 -526 -414 -700 -674 -5543 -498 -545 -400 -341 -509 -900 -222 -450 -257 24 39 -108 418 -11 308 202 480 242 36 -109 -58 -247 -340 -537 -798 115 -46 264 57 -459 -398 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