File name: Pandora55s1_QueensNY_20231107_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20231108T050118.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20231107_L1_smca1c17d20220526p1-8.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: 20231107 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20231107T170133.1Z 8711.709411 413 1 13.23 2 57.32 186.44 64.57 261.72 0.00 1 0.00 1 0 17 1.145e-02 6.725e-03 3.862e-03 1.878e-03 2.430309e-01 9.713666e-04 2.974230e-03 -6.000000e+00 6.707082e-03 223.95 -2.00 3.51 -2.00 316.26 0.00e+00 -8.180183e-05 1.105607e-04 5.243933e-05 -6.000000e+00 2.999498e-04 281.50 -2.00 20.00 -2.00 315.59 0.00e+00 1.846 0.000 302.00 328.00 3 3.6269e+00 2.5025e-03 2.2078e-02 -6.0000e+00 1.6511e-02 1.5989e-04 2.8010e-03 1.2288e-02 -6.0000e+00 1.7940e-02 2.7867e-03 1.6242e-03 6.1069e-03 -6.0000e+00 1.0713e-02 -2.6403e-03 7.5767e-04 1.7409e-03 -6.0000e+00 4.5666e-03 1.7032e-03 3.7478e-04 5.7865e-05 2.3703e-05 -6.0000e+00 3.4356e-04 9.0112e-03 0.0000e+00 12 9 1 12 5 1 99.91 22.80 0.15 0.00901 0.01183 15 12 1 5 0 826.750 26.11 20.01 22.80 22.26 36.0 1026.86 -2867 -146 -6189 -3390 -88 -2118 2543 712 -1949 -658 -384 -903 -3740 2599 -600 -200 -182 1990 1603 213 995 1094 576 -335 660 1039 -387 -330 819 712 2710 1492 -1960 -943 1400 -370 -521 686 -600 -1275 -826 -1189 -1586 -332 16 -1307 -111 -803 926 284 182 230 932 1033 875 1170 -32 1213 1022 1687 1326 1297 96 -253 -627 207 23 1346 966 -119 -181 -495 -757 -484 -41 5 626 837 147 -274 -685 -1414 -1404 -1043 -815 -926 -806 -609 -466 68 -84 424 1167 1171 1122 861 902 -314 -380 -698 -332 -77 860 -113 -656 -352 -667 37 79 21 -252 -190 -355 -169 233 887 1003 513 44 -810 -140 -16 -216 254 7 533 1309 1013 265 624 13 340 317 394 -341 -81 123 -342 -565 -304 -468 -292 25 -560 -29 -1259 -630 -15 -368 460 144 -426 -145 -85 -213 -993 729 -188 -65 -62 680 565 77 363 401 217 -133 268 426 -157 -128 305 266 1045 616 -861 -409 581 -158 -241 355 -350 -812 -551 -817 -1108 -231 11 -908 -75 -539 612 190 126 167 697 795 686 932 -25 968 810 1338 1079 1105 86 -234 -573 180 19 1114 841 -111 -178 -497 -759 -473 -38 5 518 679 124 -247 -661 -1448 -1494 -1144 -926 -1096 -983 -753 -575 82 -97 464 1215 1204 1190 965 1072 -396 -494 -904 -415 -92 1000 -135 -814 -451 -879 49 110 30 -371 -282 -517 -237 312 1146 1289 674 61 -1151 -202 -23 -307 352 10 699 1665 1290 348 850 19 486 458 581 -520 -127 196 -551 -917 -489 -742 -453 38 SS 20231107T171119.5Z 8711.716198 419 1 52.05 2 57.57 189.20 66.39 263.35 0.00 1 0.00 1 0 17 1.167e-01 4.582e-02 5.849e-03 2.336e-03 2.360725e-01 1.200593e-03 3.059628e-03 -6.000000e+00 6.835176e-02 223.95 -2.00 3.51 -2.00 316.67 0.00e+00 7.567355e-03 1.513132e-04 7.290555e-04 -6.000000e+00 3.057694e-03 281.50 -2.00 20.00 -2.00 316.00 0.00e+00 1.858 0.000 302.00 328.00 3 5.2828e+00 3.1055e-03 2.2741e-02 -6.0000e+00 1.6826e-01 5.2273e-02 3.4763e-03 1.6739e-02 -6.0000e+00 1.8285e-01 -7.5317e-02 2.0188e-03 6.5476e-03 -6.0000e+00 1.0919e-01 4.4612e-02 9.6667e-04 6.3939e-03 -6.0000e+00 4.6521e-02 3.1340e-04 1.2323e-04 7.2190e-05 5.9810e-05 -6.0000e+00 3.5024e-03 1.1745e-02 0.0000e+00 12 9 8 11 12 0 99.98 22.78 0.49 0.01175 0.01267 15 3 1 5 0 3469.440 26.11 20.01 22.78 22.47 36.1 1027.64 22128 62334 17499 29670 36212 21655 35423 17101 7971 1860 3117 2006 -5082 23897 13366 8958 -73921 26273 23013 21485 16725 13764 3904 4324 1029 10047 -1039 -981 1241 5943 11762 9129 5975 5962 14407 3124 1242 4719 2900 -2684 -353 -4307 -1862 -820 2766 -33 5145 3847 5480 3340 2050 725 4568 3592 547 1598 -1316 -846 -1984 230 1829 1152 -809 1101 -754 2194 -311 1072 662 -2015 -228 -434 -2667 -517 -2134 -1636 940 -936 -1081 -1249 647 -729 -1208 -1887 -1488 -2427 -1461 -1734 -878 -923 -612 277 440 -251 508 -133 818 344 672 488 -163 635 1195 1182 -350 167 -522 294 1232 1176 -444 739 265 -306 338 1157 1770 845 912 -347 -10215 1445 1848 590 750 522 1675 1118 393 1803 1311 1666 1026 861 -146 427 108 -373 -1199 -765 -891 -450 -1066 3592 7341 3021 4225 4455 2967 4443 2702 1405 345 576 405 -1245 5194 3537 2628 -43839 7117 6615 6350 5139 4279 1317 1476 365 3309 -368 -335 409 1923 3873 3303 2303 2282 4956 1188 519 2162 1511 -1586 -216 -2796 -1215 -537 1778 -21 3210 2388 3342 2092 1346 502 3185 2588 408 1197 -1003 -640 -1500 174 1412 947 -710 984 -675 1830 -252 853 557 -1854 -218 -425 -2633 -490 -1946 -1388 738 -731 -879 -1099 606 -731 -1266 -2057 -1687 -2894 -1789 -2168 -1090 -1122 -710 300 452 -255 533 -149 977 437 882 637 -206 759 1389 1398 -436 216 -697 403 1730 1714 -672 1118 394 -438 459 1507 2287 1125 1263 -504 -16034 2103 2649 830 1026 694 2151 1438 525 2484 1867 2412 1509 1296 -227 683 177 -620 -2009 -1267 -1452 -714 -1679 SS 20231107T171640.4Z 8711.719912 422 1 25.41 2 57.75 190.71 67.38 264.23 0.00 1 0.00 1 0 17 1.886e-02 7.643e-03 4.774e-03 2.159e-03 2.443362e-01 1.114991e-03 2.978648e-03 -6.000000e+00 1.104755e-02 223.95 -2.00 3.51 -2.00 316.44 0.00e+00 -7.090447e-05 1.327087e-04 7.819133e-05 -6.000000e+00 4.940908e-04 281.50 -2.00 20.00 -2.00 315.77 0.00e+00 1.867 0.000 302.00 328.00 3 4.4663e+00 2.8800e-03 2.2286e-02 -6.0000e+00 2.7195e-02 2.8041e-04 3.2267e-03 1.2346e-02 -6.0000e+00 2.9551e-02 4.7732e-03 1.8801e-03 6.1340e-03 -6.0000e+00 1.7647e-02 -4.3633e-03 8.8596e-04 1.7512e-03 -6.0000e+00 7.5212e-03 7.1870e-04 3.3996e-04 6.6668e-05 2.3464e-05 -6.0000e+00 5.6594e-04 9.6325e-03 0.0000e+00 12 9 1 12 37 1 99.93 22.77 0.50 0.00963 0.01219 11 5 1 5 0 2116.810 26.11 20.02 22.77 22.59 36.1 1028.50 -5144 9856 -8632 -1634 392 -811 6454 2421 849 -2278 -2470 -1358 -6993 4097 359 -2181 -3480 4542 2458 1993 1739 1342 -2043 791 -752 4539 -666 88 -144 669 1165 -356 -1472 -1762 2308 -843 -1348 334 -125 -2021 -87 -2050 -1519 -806 272 -1999 436 -662 738 598 195 168 1293 1175 463 1103 682 1298 837 1640 1537 999 -84 2 -1013 545 -424 1101 1008 -362 -71 -60 -707 -69 -286 381 1106 1167 -634 -576 -61 -1422 -1236 -1025 -476 -1056 -391 -494 -623 -290 312 245 1230 1021 1324 383 1029 -287 -658 -198 -690 -87 1014 216 -578 -551 -615 -41 511 80 -684 -354 -224 -263 216 417 1056 529 -63 -783 -524 365 -15 80 112 209 634 931 135 706 430 433 247 634 -339 137 72 -473 -511 -297 -208 -382 -63 -934 1633 -1638 -272 60 -127 1028 441 166 -468 -514 -297 -1772 1057 104 -681 -1133 1428 808 672 593 462 -742 294 -294 1721 -257 32 -51 237 431 -142 -614 -734 906 -343 -600 167 -70 -1258 -56 -1382 -1036 -548 184 -1360 288 -434 476 391 133 119 947 886 358 864 540 1018 654 1280 1231 842 -74 2 -919 468 -352 903 869 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