File name: Pandora64s1_NewHavenCT_20240827_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240828T050419.3Z 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 v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240827_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: 20240827 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 20240827T114736.2Z 9005.491391 251 1 48.40 2 73.34 91.54 13.92 192.14 0.00 1 0.00 1 0 25 7.100e-02 7.032e-03 1.064e-02 7.892e-04 4.720751e-01 4.298432e-04 5.530440e-03 -6.000000e+00 4.339906e-02 230.78 -2.00 3.52 -2.00 319.36 0.00e+00 7.341494e-04 1.184057e-04 4.673503e-04 -6.000000e+00 1.944173e-03 289.07 -2.00 20.00 -2.00 318.58 0.00e+00 3.431 0.001 302.00 328.00 3 1.7119e+00 1.2159e-03 4.2553e-02 -6.0000e+00 1.0833e-01 -9.7188e-03 1.4283e-03 2.5049e-02 -6.0000e+00 1.1675e-01 2.3246e-03 1.0835e-03 1.2308e-02 -6.0000e+00 6.9643e-02 -9.5044e-03 5.6446e-04 3.4744e-03 -6.0000e+00 2.9599e-02 1.7834e-03 -4.3126e-04 2.4124e-05 4.0854e-05 -6.0000e+00 2.1138e-03 -1.5603e-03 -2.7013e-05 11 8 0 10 0 0 62.83 21.68 0.19 -0.00156 -0.00480 285 69 1 5 0 169.790 26.11 20.00 21.68 26.11 40.1 1025.76 -13558 -19566 -16856 -23155 -53744 -24219 -20791 -19370 -15542 -16077 -15489 -12709 -6747 -4893 -985 -2975 -2737 967 -1675 949 -948 -564 520 308 221 -199 -440 -2183 -2121 -1560 1061 -715 1521 -481 -5789 -3664 -2927 -1565 -788 213 -899 -397 192 -703 -317 87 -359 122 -531 -682 938 1171 942 1322 97 860 1049 375 -56 376 533 1344 1580 2639 1197 -974 223 -965 910 1515 526 728 -18 422 -252 -910 -809 -1880 -704 -482 -1206 -560 -1861 -1962 -366 -386 396 418 1102 671 517 624 -562 7 756 257 -249 1039 525 -432 -633 -1714 -1864 166 319 -1437 -377 -772 -208 376 862 315 214 102 -197 -102 474 -161 576 220 -296 -380 689 64 910 640 -1021 408 895 245 334 -555 -613 -328 378 -99 -422 467 380 -360 174 -671 -254 -425 -370 -504 -1369 -526 -483 -505 -435 -482 -439 -405 -245 -211 -48 -169 -167 62 -116 68 -70 -42 41 27 20 -19 -42 -204 -198 -156 118 -83 193 -63 -766 -506 -458 -288 -174 54 -230 -107 53 -199 -91 25 -104 36 -162 -222 331 449 389 583 42 380 471 168 -25 168 252 691 891 1580 719 -571 129 -583 566 1050 392 554 -13 296 -163 -579 -492 -1185 -461 -361 -964 -495 -1774 -1872 -370 -413 438 469 1210 700 503 606 -533 6 776 282 -308 1327 695 -557 -808 -2033 -2146 198 408 -1842 -509 -1110 -306 569 1377 509 335 159 -291 -147 696 -248 893 351 -470 -586 1077 96 1306 934 -1486 594 1424 405 586 -976 -1125 -607 740 -192 -840 937 751 -718 331 -1241 SS 20240827T115402.6Z 9005.495863 255 1 48.38 2 72.13 92.62 14.22 197.73 0.00 1 0.00 1 0 25 4.749e-02 7.309e-03 6.996e-03 6.577e-04 4.436794e-01 3.563790e-04 5.215793e-03 -6.000000e+00 2.902662e-02 230.78 -2.00 3.52 -2.00 319.03 0.00e+00 7.293637e-04 8.790746e-05 3.816454e-04 -6.000000e+00 1.300303e-03 289.07 -2.00 20.00 -2.00 318.23 0.00e+00 3.213 0.001 302.00 328.00 3 1.6245e+00 9.9377e-04 3.9874e-02 -6.0000e+00 7.2457e-02 -3.7958e-03 1.1503e-03 2.3448e-02 -6.0000e+00 7.8085e-02 -2.8426e-03 8.2754e-04 1.1486e-02 -6.0000e+00 4.6579e-02 -7.3542e-03 4.3252e-04 3.2347e-03 -6.0000e+00 1.9797e-02 2.4768e-03 -4.5599e-04 2.0159e-05 3.7019e-05 -6.0000e+00 1.4137e-03 -1.7295e-03 -2.4217e-05 11 8 0 10 0 0 72.33 21.68 0.18 -0.00173 -0.00516 334 80 1 5 0 144.820 26.11 20.00 21.68 26.62 40.3 1028.25 -8355 -14206 -7368 -21473 -31437 -19946 -5627 -15540 -5351 -13821 -8956 -9555 -2982 -5733 932 -1552 -1141 670 1102 1241 1538 -1762 964 548 306 -719 -717 -3006 -1624 -1662 868 -945 1153 -1370 -5578 -3535 -2850 -1146 -96 90 -925 -1157 -164 -1033 -436 305 -820 -140 -1252 -294 840 1484 847 1670 209 1261 1111 895 150 687 538 1799 1536 2886 840 -840 -117 -1050 682 1744 370 567 -119 443 -143 -889 -859 -1977 -771 -267 -1316 -653 -1869 -1874 -532 -269 274 325 1054 619 456 523 -581 23 780 243 -125 1085 644 -521 -424 -1783 -1969 13 401 -1362 -333 -913 -228 269 834 334 318 48 -164 -254 539 -274 687 340 -209 -351 642 24 934 647 -1057 512 969 269 410 -541 -619 -400 493 -174 -474 427 278 -328 144 -660 -215 -383 -211 -597 -911 -587 -158 -498 -172 -513 -328 -403 -142 -335 60 -115 -90 56 97 115 145 -173 99 61 36 -81 -80 -360 -190 -209 111 -136 180 -221 -899 -594 -541 -255 -26 25 -284 -375 -55 -350 -149 104 -284 -49 -451 -111 345 656 375 783 103 635 570 456 76 350 290 1049 918 1818 532 -514 -71 -658 470 1250 286 447 -92 323 -102 -584 -538 -1277 -551 -204 -1143 -589 -1812 -1929 -550 -293 309 372 1183 660 479 515 -556 23 803 282 -154 1387 851 -673 -538 -2116 -2272 16 513 -1754 -451 -1317 -336 407 1328 536 494 74 -239 -359 776 -416 1050 536 -329 -538 994 35 1392 929 -1511 767 1507 433 701 -925 -1105 -722 939 -331 -922 835 539 -637 268 -1194 SS 20240827T115933.2Z 9005.499690 258 1 48.35 2 71.10 93.55 14.56 202.32 0.00 1 0.00 1 0 25 3.497e-02 7.131e-03 4.782e-03 5.354e-04 4.208397e-01 2.895222e-04 4.971363e-03 -6.000000e+00 2.137655e-02 230.78 -2.00 3.52 -2.00 318.78 0.00e+00 5.258276e-04 6.577438e-05 3.379711e-04 -6.000000e+00 9.576151e-04 289.07 -2.00 20.00 -2.00 317.96 0.00e+00 3.048 0.000 302.00 328.00 3 1.4345e+00 7.9905e-04 3.7837e-02 -6.0000e+00 5.3361e-02 -9.1162e-03 9.1690e-04 2.2249e-02 -6.0000e+00 5.7506e-02 -7.7585e-04 6.3731e-04 1.0823e-02 -6.0000e+00 3.4303e-02 -6.8280e-03 3.3228e-04 2.9915e-03 -6.0000e+00 1.4579e-02 3.6194e-03 -4.4874e-04 1.6494e-05 3.5114e-05 -6.0000e+00 1.0412e-03 -1.6629e-03 -2.9945e-05 11 8 0 10 0 0 73.31 21.70 0.20 -0.00166 -0.00503 439 106 1 5 0 110.110 26.11 20.00 21.70 26.92 40.3 1029.62 -12523 -6482 -9058 -11674 -25596 -11248 -9336 -6676 -5982 -5695 -8319 -5222 -2774 -2232 -135 -8 -773 458 -45 1294 1137 -1009 1673 113 -97 167 -346 -2663 -1662 -1619 1520 -1200 1872 -1548 -4377 -3948 -1942 -1679 280 -442 -836 -1191 -56 -1092 -74 -150 -437 -29 -503 -472 1353 -568 1301 1494 548 1063 1315 704 441 459 731 1589 1611 2611 1015 -936 51 -1399 678 1544 411 658 -281 439 -88 -976 -836 -2037 -700 -465 -1205 -587 -1846 -1829 -556 -330 224 321 922 585 345 621 -650 80 710 299 -104 1102 469 -372 -539 -1567 -1921 194 279 -1303 -364 -739 -248 339 776 256 195 147 -170 -196 500 -197 596 355 -213 -337 608 125 879 782 -1039 512 1005 299 490 -498 -658 -381 423 -162 -453 404 322 -425 182 -677 -392 -206 -305 -373 -886 -383 -344 -247 -244 -244 -378 -261 -162 -153 -11 -1 -73 46 -5 143 128 -117 202 14 -12 22 -45 -341 -227 -216 222 -198 332 -285 -792 -756 -414 -425 77 -141 -289 -434 -21 -415 -28 -57 -168 -11 -199 -197 563 -260 626 765 293 583 732 390 241 255 427 939 1038 1775 688 -613 33 -935 496 1175 336 550 -231 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