File name: Pandora55s1_QueensNY_20231026_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T123428.2Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20231026_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: 20231026 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 20231026T120155.0Z 8699.501331 191 1 50.45 2 83.09 113.01 127.06 306.08 0.00 1 0.00 1 0 25 7.704e-01 4.321e-02 2.196e-01 6.794e-03 7.229515e-01 3.892404e-03 8.840566e-03 -6.000000e+00 4.632119e-01 225.01 -2.00 3.51 -2.00 321.67 0.00e+00 2.607118e-02 1.956019e-03 1.600040e-03 -6.000000e+00 2.229166e-02 283.00 -2.00 20.00 -2.00 321.16 0.00e+00 7.610 0.008 302.00 328.00 3 6.7792e-01 1.3688e-02 9.1449e-02 -6.0000e+00 1.1484e+00 1.0900e+00 1.6319e-02 7.1415e-02 -6.0000e+00 1.2560e+00 -1.5133e+00 1.1220e-02 2.0527e-02 -6.0000e+00 7.4303e-01 6.3499e-01 5.6482e-03 2.7900e-02 -6.0000e+00 3.0990e-01 6.2302e-05 -3.1344e-03 2.0485e-04 3.6808e-04 -6.0000e+00 2.4189e-02 2.6329e-03 0.0000e+00 12 8 8 10 0 0 12.10 22.67 0.47 0.00263 -0.02092 48 9 1 5 0 1050.840 26.00 20.02 22.67 20.37 36.0 1016.57 136059 63887 900000 18032 900000 217308 75454 900000 151636 197533 -43579 2452 794 -75208 900000 268071 68334 -87747 900000 900000 900000 178606 223284 1813 138811 36247 900000 60320 8576 -15720 107020 900000 96189 135567 102216 900000 53417 48009 163403 900000 41804 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-1223 -2261 5454 859 2282 -2831 596 -5640 -2295 -5872 -1163 -2073 -4431 -239 -1385 -1868 -2632 -6189 -4772 -2699 -3012 -181 -2019 1327 2077 124 -893 -4829 -4832 -4220 2713 -1252 -6864 -1953 -3277 -2610 -1688 -102 2166 1061 609 -1440 -861 6382 9336 2728 2867 3443 4135 1649 -441 4977 5170 5384 5387 2736 -1010 161 175 -884 -4435 -3075 -3157 -1912 -4336 SS 20231026T121301.6Z 8699.509047 194 1 50.44 2 81.17 114.95 128.61 308.81 0.00 1 0.00 1 0 33 5.773e-01 1.248e-02 1.237e-01 2.450e-03 6.431651e-01 1.345822e-03 7.316787e-03 -6.000000e+00 3.443794e-01 225.01 -2.00 3.51 -2.00 321.00 0.00e+00 3.634362e-03 6.318882e-04 1.076868e-03 -6.000000e+00 1.570149e-02 283.00 -2.00 20.00 -2.00 320.43 0.00e+00 6.160 0.004 302.00 328.00 3 6.8784e-01 4.4636e-03 7.0242e-02 -6.0000e+00 8.5072e-01 7.8223e-02 6.0237e-03 3.6300e-02 -6.0000e+00 9.2539e-01 -1.1709e-01 5.8929e-03 1.7887e-02 -6.0000e+00 5.5001e-01 4.5908e-02 2.8239e-03 7.2715e-03 -6.0000e+00 2.3107e-01 3.2522e-04 -1.2731e-03 7.3823e-05 7.7850e-05 -6.0000e+00 1.7557e-02 2.0385e-03 0.0000e+00 12 8 8 10 0 0 -4.09 22.67 0.27 0.00204 -0.00753 126 24 1 5 0 400.260 26.00 20.00 22.67 21.44 35.9 1022.25 -193029 -199718 900000 -188840 -67978 900000 -138264 900000 -115024 -65906 -171898 -87182 -135406 -165867 900000 -37681 -70543 -9878 900000 37132 117801 -9970 39237 -59791 1738 -33612 403484 -10450 -32769 -42891 -18051 24100 -11277 700 -5759 75013 -18625 -10742 6456 15651 -4248 7580 -6838 -3424 5547 16967 -1047 6685 11376 8729 5437 3368 -2447 15237 9701 6394 5817 5353 5172 3102 3188 7104 2387 -1810 5508 -2708 7171 -298 4158 2759 158 1550 2627 -1752 2227 -346 1082 4053 314 598 -1453 2224 -2245 -509 -2302 -1132 -2340 -1403 -1884 -572 -297 -189 1071 1018 1264 443 -388 -150 -303 -660 -1022 -690 148 1616 -286 -949 -1182 -1302 -561 584 244 -849 -383 -210 -53 412 1399 807 810 -502 -927 -427 587 684 -62 217 397 1544 661 -7 462 724 459 530 361 -388 -91 84 -492 -755 -360 -318 424 -152 -2513 -3361 900000 -3265 -354 900000 -1424 900000 -1191 -467 -3587 -904 -2675 -5520 900000 -580 -1719 -152 900000 430 655 -194 488 -2015 36 -1031 963 -268 -1031 -1538 -578 618 -473 29 -263 1599 -984 -594 364 970 -363 644 -707 -358 549 1556 -115 712 1207 1005 698 488 -414 2394 1722 1230 1178 1107 1065 641 664 1496 579 -512 1591 -876 2111 -94 1317 983 64 672 1162 -797 929 -137 390 1369 114 240 -686 1160 -1355 -328 -1590 -819 -1802 -1122 -1542 -463 -233 -141 752 702 899 348 -347 -151 -334 -776 -1213 -780 155 1582 -287 -1001 -1311 -1511 -686 759 344 -1300 -610 -336 -83 621 2040 1188 1226 -800 -1521 -700 937 1067 -94 323 576 2181 966 -11 794 1326 886 1059 752 -849 -207 195 -1155 -1777 -830 -711 906 -319 SS 20231026T122618.0Z 8699.518264 199 1 50.56 2 78.92 117.31 130.39 312.21 0.00 1 0.00 1 0 25 1.931e-01 6.532e-03 5.165e-02 1.152e-03 5.404534e-01 6.053613e-04 6.303408e-03 -6.000000e+00 1.134023e-01 225.01 -2.00 3.51 -2.00 320.15 0.00e+00 1.253945e-03 2.156951e-04 8.567684e-04 -6.000000e+00 5.074237e-03 283.00 -2.00 20.00 -2.00 319.51 0.00e+00 5.017 0.002 302.00 328.00 3 5.4742e-01 1.8057e-03 5.7254e-02 -6.0000e+00 2.7967e-01 1.5426e-02 2.2340e-03 2.9094e-02 -6.0000e+00 3.0355e-01 -1.4097e-02 1.9863e-03 1.4166e-02 -6.0000e+00 1.8144e-01 -2.0542e-03 1.0100e-03 4.5032e-03 -6.0000e+00 7.6734e-02 1.2219e-03 -8.1738e-04 3.4676e-05 5.3036e-05 -6.0000e+00 5.7565e-03 1.0259e-03 0.0000e+00 11 8 0 10 0 0 7.42 22.67 0.22 0.00103 -0.00512 267 50 1 5 0 189.310 26.00 19.98 22.67 22.59 36.2 1028.70 -62235 -78514 122204 -79398 -21644 -58122 -37858 -13019 -24970 -39228 -56017 -38601 -40153 -49672 -2629 -2572 -23042 41887 5909 11007 -5986 -2215 -1879 -11261 -5450 -9070 14478 -8547 -4403 -14710 1488 566 1244 -4804 -471 5846 -4240 -3269 -436 926 -4828 182 -4781 -742 -1559 2038 -1662 1156 1106 1615 1837 371 764 2388 2767 669 2048 457 589 858 1193 2457 1478 694 235 349 1346 1127 1334 1577 36 213 -104 -698 -105 -447 602 451 998 -628 -442 -367 -1334 -1221 -1431 -1039 -1098 -591 -747 -168 -129 658 740 1568 1336 1360 581 698 -305 -442 -201 -431 24 609 -64 -1253 -345 -1026 -111 200 -17 -320 -209 74 -68 635 842 905 377 -350 -887 -587 -206 -248 107 -75 432 1246 914 75 530 76 389 208 204 -364 -237 182 -429 -472 -248 -20 -4 289 -673 -1109 275 -1262 -198 -739 -409 -124 -307 -614 -1030 -651 -809 -1368 -56 -66 -829 871 192 362 -245 -89 -78 -546 -273 -473 663 -490 -238 -836 84 35 89 -402 -39 445 -371 -323 -51 120 -772 31 -902 -140 -303 389 -335 231 227 344 419 95 202 678 840 218 687 159 204 291 405 866 581 290 107 163 607 501 616 808 20 128 -65 -434 -61 -255 309 219 491 -349 -270 -257 -1009 -1004 -1198 -926 -1043 -588 -728 -162 -125 595 656 1326 1162 1240 581 795 -376 -561 -254 -537 28 675 -72 -1458 -422 -1338 -146 286 -26 -507 -345 121 -107 980 1244 1336 582 -555 -1475 -980 -336 -390 168 -114 628 1818 1318 119 896 135 703 394 395 -728 -500 394 -920 -1015 -537 -42 -8 567 SS 20231026T123218.5Z 8699.522437 202 1 50.48 2 77.91 118.40 131.16 313.81 0.00 1 0.00 1 0 25 9.361e-02 6.099e-03 1.812e-02 8.900e-04 5.022962e-01 4.634375e-04 5.894351e-03 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