File name: Pandora55s1_QueensNY_20241229_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241230T050633.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241229_L1_smca1c18d20230426p1-8.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: 20241229 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 20241229T165429.1Z 9129.704503 199 1 10.31 2 63.91 179.19 71.36 194.54 0.00 1 0.00 1 0 25 3.148e-02 8.577e-03 1.238e-02 3.817e-03 2.993709e-01 1.953087e-03 3.610795e-03 -6.000000e+00 1.836770e-02 223.27 -2.00 3.51 -2.00 317.22 0.00e+00 -1.100103e-04 2.770747e-04 7.311930e-05 -6.000000e+00 8.048829e-04 276.31 -2.00 20.00 -2.00 316.61 0.00e+00 2.260 0.000 302.00 328.00 3 4.2324e+00 5.0994e-03 2.7001e-02 -6.0000e+00 4.5226e-02 3.0013e-02 5.7363e-03 1.5055e-02 -6.0000e+00 4.9202e-02 -5.2118e-04 3.4667e-03 7.5123e-03 -6.0000e+00 2.9327e-02 -4.0604e-03 1.7049e-03 2.1588e-03 -6.0000e+00 1.2370e-02 5.5903e-04 -5.2343e-05 1.1765e-04 2.7483e-05 -6.0000e+00 9.3787e-04 -3.5247e-04 0.0000e+00 12 9 1 12 1 1 99.95 16.13 0.31 -0.00035 -0.00075 5 5 1 5 0 1716.780 25.90 20.00 16.13 19.23 37.3 1092.32 -12476 -9684 15424 -11918 -164 6635 -6064 12800 -2468 -640 -6732 -3351 9646 -357 6639 1756 -2138 313 7491 5361 -1992 1292 2232 -3933 -879 -2158 2977 -4529 -2769 -1980 -1915 587 -483 -842 -2145 4342 -1014 -816 1838 1095 -1245 -1266 -2326 -2061 -467 328 -1425 1186 -459 909 -653 276 -199 2030 1026 1378 2976 1811 2049 632 724 1722 642 -561 134 -938 -440 -607 1455 1265 -434 187 15 -657 288 -390 423 840 818 -177 -748 106 -1524 -1568 -1243 -851 -918 -570 -1136 -590 -292 -265 -57 1431 731 1582 896 500 -3 -797 -253 -753 -126 984 484 -97 -115 -453 -251 576 -43 -747 -251 326 -356 591 559 1354 332 -204 -1465 326 -27 643 -170 506 197 901 342 130 459 -261 869 -68 435 -507 -374 278 -485 -642 -164 -9 -348 319 -1360 -1145 1514 -1473 -17 609 -637 1238 -305 -83 -946 -469 1299 -59 1179 361 -485 72 1697 1280 -518 331 573 -1099 -253 -656 879 -1390 -803 -555 -547 175 -157 -286 -736 1373 -342 -302 765 522 -662 -714 -1361 -1226 -275 193 -844 682 -265 519 -386 169 -129 1348 711 974 2126 1312 1475 455 522 1270 503 -466 115 -802 -359 -479 1134 1047 -389 175 14 -631 267 -346 349 655 628 -143 -655 100 -1534 -1647 -1351 -961 -1079 -691 -1403 -724 -349 -304 -61 1470 749 1675 1014 607 -4 -1064 -334 -962 -153 1156 581 -122 -149 -607 -346 816 -64 -1142 -387 491 -520 822 754 1810 457 -292 -2178 486 -40 939 -245 703 267 1187 452 178 657 -387 1308 -104 682 -823 -625 472 -834 -1110 -279 -16 -570 514 SS 20241229T165924.5Z 9129.707922 203 1 4.20 2 63.90 180.45 71.60 195.62 0.00 1 0.00 1 0 25 2.850e-02 8.916e-03 1.446e-02 4.976e-03 2.998885e-01 2.551398e-03 3.627554e-03 -6.000000e+00 1.662739e-02 223.27 -2.00 3.51 -2.00 316.97 0.00e+00 -5.817677e-04 3.390309e-04 1.115201e-04 -6.000000e+00 7.285949e-04 276.31 -2.00 20.00 -2.00 316.37 0.00e+00 2.260 0.000 302.00 328.00 3 3.7153e+00 6.6310e-03 2.7000e-02 -6.0000e+00 4.0941e-02 3.0106e-02 7.4481e-03 1.5056e-02 -6.0000e+00 4.4539e-02 -3.4417e-03 4.4415e-03 7.5197e-03 -6.0000e+00 2.6548e-02 -1.0091e-03 2.1543e-03 2.1804e-03 -6.0000e+00 1.1199e-02 9.3869e-04 -7.6074e-05 1.5260e-04 2.7909e-05 -6.0000e+00 8.4895e-04 -7.7124e-04 0.0000e+00 12 9 1 12 1 1 999.00 16.18 0.14 -0.00077 -0.00134 2 7 1 5 0 1398.670 25.90 20.00 16.18 19.43 37.3 1093.38 -5895 -7458 18669 -15521 1995 820 6312 5480 4432 -4620 -7382 -4861 -1969 2834 3226 -1331 -5060 1421 104 5058 28 1867 3004 498 3749 -290 -2407 -4197 125 -2171 2491 919 607 -2831 -2096 633 -2623 -2 75 550 -1917 904 -882 127 -1541 383 -1135 61 303 697 1046 -59 916 298 1400 1427 1604 487 841 958 1270 2617 1187 -383 -742 -485 -520 327 398 1322 -442 -227 -125 -632 192 -487 1298 281 1095 -800 426 -1681 -1765 -1546 -1649 -1272 -1625 82 -917 -36 -409 540 1146 1891 1387 329 1178 1170 442 -969 260 -797 -220 54 112 -806 -164 -658 -117 290 304 -986 -339 -131 -372 -2 521 1504 1189 -655 -726 -202 -250 213 269 -83 656 690 1002 -161 760 21 1109 335 78 237 21 344 -805 -469 -631 18 -502 -117 -691 -983 2038 -2247 231 91 678 647 589 -709 -1189 -783 -333 517 662 -313 -1302 361 28 1338 8 523 842 148 1141 -95 -813 -1405 39 -667 750 298 211 -1054 -777 224 -968 -1 34 278 -1079 528 -537 78 -959 236 -701 37 182 417 636 -38 610 207 1000 1040 1191 367 630 710 941 1976 950 -325 -649 -421 -435 263 320 1115 -403 -217 -122 -614 180 -440 1088 225 863 -663 377 -1614 -1798 -1637 -1807 -1444 -1921 99 -1129 -44 -489 617 1239 1953 1428 354 1333 1411 565 -1287 341 -1016 -268 64 135 -1011 -212 -876 -159 407 444 -1493 -515 -196 -538 -2 699 1996 1614 -931 -1064 -300 -369 309 382 -116 881 906 1316 -219 1075 30 1649 507 121 377 34 573 -1365 -796 -1061 29 -811 -187 SS 20241229T170327.0Z 9129.710730 206 1 4.28 2 63.92 181.48 71.81 196.50 0.00 1 0.00 1 0 25 1.111e-02 6.335e-03 4.332e-03 1.633e-03 2.996976e-01 8.372593e-04 3.669199e-03 -6.000000e+00 6.478769e-03 223.27 -2.00 3.51 -2.00 316.82 0.00e+00 2.031782e-04 1.072169e-04 7.970914e-05 -6.000000e+00 2.839673e-04 276.31 -2.00 20.00 -2.00 316.22 0.00e+00 2.261 0.000 302.00 328.00 3 1.9137e+00 2.1712e-03 2.7055e-02 -6.0000e+00 1.5952e-02 2.3992e-02 2.4361e-03 1.5154e-02 -6.0000e+00 1.7357e-02 -5.7614e-03 1.4390e-03 7.5558e-03 -6.0000e+00 1.0346e-02 -9.2731e-04 6.9116e-04 2.1718e-03 -6.0000e+00 4.3621e-03 5.6936e-03 -5.2426e-04 4.9841e-05 2.9076e-05 -6.0000e+00 3.3093e-04 1.8071e-03 0.0000e+00 12 1 1 12 1 1 65.49 16.17 0.23 0.00181 -0.00213 19 45 1 5 0 213.410 25.90 19.99 16.17 19.57 37.3 1094.49 -4155 -2935 -3175 -3000 -5295 567 -2347 3672 -160 -969 -1346 -557 339 -30 1858 -964 -688 268 1669 658 -223 977 629 974 -13 551 -725 -902 232 1694 550 2062 1005 -555 -920 -64 259 148 476 -669 -1409 -809 -1156 -763 -330 -411 -1104 -878 -668 411 565 733 817 1277 587 776 509 271 848 843 1337 1417 1466 200 -209 -303 209 221 1175 563 184 -300 -1009 -405 -713 -71 -154 532 881 336 -162 -544 -1332 -1316 -976 -898 -1019 -527 -293 -1042 -99 256 292 1537 1646 1321 1086 957 -237 -675 -438 -427 -127 719 126 -713 -503 -482 -142 -256 -12 -297 -204 -155 -23 560 853 994 532 -153 -574 -372 -281 -215 -80 446 372 1416 875 362 274 33 291 104 40 -391 -106 41 -304 -442 -102 -291 -149 108 -528 -415 -471 -434 -724 68 -295 479 -24 -160 -228 -96 63 -6 419 -251 -180 73 468 194 -68 298 194 311 -4 186 -251 -304 78 544 182 681 367 -218 -360 -24 99 60 228 -361 -823 -482 -722 -485 -210 -262 -705 -550 -411 250 353 486 553 913 422 574 387 208 643 630 998 1103 1177 168 -185 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