File name: Pandora177s1_WestportCT_20231109_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T033733.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20231109_L1_smca1c7d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20231109 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 359 Nominal wavelengths inside fitting window [nm]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20231109T184709.5Z 8713.782748 405 1 2.33 2 65.41 214.41 77.39 257.18 0.00 1 0.00 1 0 25 2.136e-02 1.186e-02 1.153e-02 3.633e-03 2.785164e-01 1.878358e-03 3.372031e-03 -6.000000e+00 1.255131e-02 223.70 -2.00 3.51 -2.00 317.34 0.00e+00 1.788584e-03 2.768137e-04 4.128828e-04 -6.000000e+00 5.564068e-04 281.07 -2.00 20.00 -2.00 316.66 0.00e+00 2.386 0.000 302.00 328.00 3 2.7681e+00 4.9063e-03 2.7547e-02 -6.0000e+00 3.0903e-02 -1.8955e-03 5.5131e-03 1.4015e-02 -6.0000e+00 3.3507e-02 -2.9136e-03 3.3532e-03 7.0360e-03 -6.0000e+00 2.0001e-02 -6.0869e-03 1.6719e-03 2.2921e-03 -6.0000e+00 8.6225e-03 2.2394e-03 1.0820e-04 1.1125e-04 2.4667e-05 -6.0000e+00 6.2749e-04 -1.8352e-03 0.0000e+00 12 9 9 12 1 1 93.59 23.07 0.41 -0.00184 -0.00102 5 29 1 5 0 386.850 26.41 20.00 23.07 17.13 22.4 966.06 1504 531 -851 -9268 -6114 -4964 -324 -1366 -9154 -2710 -6324 -2694 -4387 -927 -4308 -2534 1220 1689 4575 2477 860 142 2667 763 1235 454 -551 -1141 -1747 856 -83 402 -151 -2100 -6406 -4820 -2238 -802 957 -368 -33 271 410 -389 1294 712 651 -71 -244 379 1690 1239 1517 620 79 1231 354 16 -411 -464 1081 1468 2869 1957 140 -622 -1029 -258 2580 1956 1286 1656 1114 706 -546 -1465 -2192 -3224 -2074 -2632 -2278 -2934 -2451 -1589 -534 506 1367 1699 1872 1268 611 -1590 -2831 -815 -718 -372 231 971 404 -276 -1385 -1776 -761 -584 -1974 -1465 -1037 -522 977 1405 1791 895 545 60 -154 -839 -153 281 693 94 808 730 1238 1073 1014 -544 -648 1146 107 -118 -696 -1565 -23 -54 744 196 396 497 310 -293 -914 -1338 157 60 -98 -1083 -635 -496 -33 -159 -1249 -356 -871 -382 -723 -172 -856 -539 263 379 1039 594 212 35 661 203 346 131 -156 -311 -460 222 -23 124 -50 -706 -2162 -1613 -811 -312 433 -191 -17 146 227 -219 719 397 358 -39 -132 209 978 772 999 429 57 893 242 12 -299 -341 762 1116 2325 1671 119 -499 -778 -196 2082 1652 1175 1548 1032 627 -485 -1186 -1648 -2421 -1661 -2391 -2154 -3047 -2526 -1718 -611 576 1618 2040 2214 1441 687 -1668 -3006 -855 -760 -436 281 1275 523 -371 -1743 -2082 -922 -697 -2560 -1888 -1394 -732 1435 2073 2737 1377 805 87 -208 -1165 -202 390 1021 139 1195 1060 1826 1523 1375 -755 -875 1566 150 -178 -1040 -2416 -37 -89 1221 338 699 888 552 -513 -1545 -2198 SS 20231109T185152.1Z 8713.786020 408 1 12.38 2 65.92 215.51 78.25 257.97 0.00 1 0.00 1 0 17 3.620e-02 1.246e-02 2.480e-02 5.540e-03 2.826170e-01 2.859596e-03 3.432409e-03 -6.000000e+00 2.127687e-02 223.70 -2.00 3.51 -2.00 318.13 0.00e+00 2.142255e-03 5.167494e-04 6.529085e-04 -6.000000e+00 9.431876e-04 281.07 -2.00 20.00 -2.00 317.45 0.00e+00 2.433 0.000 302.00 328.00 3 4.6710e+00 7.5899e-03 2.8089e-02 -6.0000e+00 5.2387e-02 2.5436e-02 8.5936e-03 1.4300e-02 -6.0000e+00 5.6800e-02 2.0336e-03 5.5050e-03 7.3560e-03 -6.0000e+00 3.3905e-02 -1.1116e-02 2.8313e-03 2.5454e-03 -6.0000e+00 1.4617e-02 3.1226e-04 1.7789e-05 1.7249e-04 2.7745e-05 -6.0000e+00 1.0637e-03 -2.0050e-03 0.0000e+00 12 9 9 12 1 1 99.67 23.07 0.27 -0.00201 -0.00187 5 6 1 5 0 2061.560 26.41 19.99 23.07 17.44 22.5 968.67 11673 -1956 -5304 -7687 -11298 -9245 1032 1763 -3412 -12051 -15519 -14820 -9751 -5538 1146 2714 -5915 5279 2497 7834 2147 1740 799 292 87 578 2511 -4518 2201 1648 1555 5763 -1378 -3142 -7960 -1804 -8259 -1998 -988 613 -1188 260 536 903 993 390 1397 696 -1183 -731 1177 2950 333 2159 3137 725 117 -988 -2143 -2 2535 2613 4472 1776 -684 -2456 -615 -1243 3167 250 1932 1534 -466 1055 145 -735 -2919 -3665 -2824 -2508 -2638 -2518 -2552 -881 -17 140 1078 1199 1800 1901 380 -357 -1955 -381 -1018 237 306 1286 231 -992 -1273 -2913 -727 -649 -1150 -1764 -1022 -655 451 1256 1340 941 269 345 -158 -279 -149 365 700 437 638 454 1661 652 541 -864 -414 806 -662 -399 -748 -1158 -342 287 -189 498 870 1188 22 -587 -362 -1389 739 -153 -430 -596 -833 -649 70 133 -295 -1167 -1575 -1595 -1144 -729 161 409 -1027 857 434 1336 393 319 151 59 18 124 517 -954 419 319 325 1270 -348 -807 -2064 -443 -2399 -648 -350 242 -518 117 246 418 462 182 636 314 -541 -341 572 1512 186 1231 1823 441 72 -611 -1324 -1 1580 1764 3204 1366 -530 -1804 -417 -856 2285 207 1688 1296 -396 897 115 -529 -1982 -2478 -2043 -2041 -2406 -2347 -2530 -908 -18 163 1304 1474 2169 2186 410 -354 -1970 -381 -1034 265 378 1611 304 -1286 -1627 -3509 -840 -786 -1499 -2302 -1385 -927 672 1977 2192 1542 425 504 -216 -390 -211 509 1040 681 1004 702 2451 933 787 -1212 -562 1114 -938 -605 -1186 -1888 -570 500 -329 900 1607 2216 42 -1083 -640 -2398 SS 20231109T185535.1Z 8713.788601 411 1 3.24 2 66.33 216.38 78.92 258.58 0.00 1 0.00 1 0 25 3.006e-02 1.251e-02 2.267e-02 5.929e-03 2.833190e-01 3.055729e-03 3.420616e-03 -6.000000e+00 1.766780e-02 223.70 -2.00 3.51 -2.00 317.63 0.00e+00 1.999673e-03 4.900670e-04 5.653834e-04 -6.000000e+00 7.831102e-04 281.07 -2.00 20.00 -2.00 316.96 0.00e+00 2.472 0.000 302.00 328.00 3 3.6672e+00 8.0334e-03 2.8388e-02 -6.0000e+00 4.3501e-02 -7.3613e-03 9.0464e-03 1.4235e-02 -6.0000e+00 4.7164e-02 8.3052e-03 5.6284e-03 7.2099e-03 -6.0000e+00 2.8153e-02 -8.2253e-03 2.8623e-03 2.4228e-03 -6.0000e+00 1.2139e-02 8.3086e-04 4.8548e-04 1.8198e-04 2.4768e-05 -6.0000e+00 8.8315e-04 -2.6346e-03 0.0000e+00 12 9 9 12 1 1 999.00 23.07 0.53 -0.00263 0.00101 2 10 1 5 0 1077.180 26.41 20.00 23.07 17.72 22.5 970.06 4996 -5136 633 -1960 1048 -10624 -4553 2838 -7571 -6354 -7759 10875 -15103 -3630 -621 293 7210 4671 4614 -1918 -725 -2516 5429 2811 2292 4922 -4952 1355 -8502 -1841 -563 3505 -1736 -3575 -4347 -841 -2843 -1335 1631 -903 1733 -2476 94 34 1215 863 1059 -1353 -1202 1557 -34 544 263 1203 -407 -316 1010 -1115 60 -456 1818 1453 2217 3202 233 -350 -1163 -384 1253 1191 1450 2409 351 1552 689 -1974 -2344 -2475 -2578 -1891 -1587 -3258 -1868 -1371 -240 778 963 2145 1146 2019 541 -1218 -2027 -839 -783 -565 1197 1028 908 -1193 -1868 -2326 -932 -147 -1803 -1805 -911 -937 758 1321 864 905 795 -819 406 -663 84 478 1507 21 988 1137 1193 572 597 -103 -1260 867 -471 -4 -1006 -1346 -94 308 167 -267 725 1126 412 -36 -1055 -1171 403 -494 57 -171 81 -903 -392 255 -819 -698 -876 1091 -2255 -565 -107 55 1324 921 949 -436 -165 -583 1191 668 545 1232 -1263 328 -2192 -449 -147 965 -507 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