File name: Pandora141s1_Calakmul_20250628_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250629T060602.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 141 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora141_OF_v2d20230802.txt Instrument calibration file used: Pandora141s1_CF_v3d20231011.txt Level 1 file used: Pandora141s1_Calakmul_20250628_L1_smca1c3d20231011p1-8.txt Full location name: Calakmul Atmospheric Observatory Short location name: Calakmul Country of location: Mexico Location latitude [deg]: 18.5956 Location longitude [deg]: -89.4137 Location altitude [m]: 275 Local noon date: 20250628 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: OoB session based on session 2 First and last pixel inside fitting window: 238 379 Nominal wavelengths inside fitting window [nm]: 305.1074 305.2483 305.3892 305.5302 305.6711 305.8120 305.9528 306.0937 306.2346 306.3754 306.5163 306.6571 306.7979 306.9387 307.0795 307.2203 307.3611 307.5018 307.6426 307.7833 307.9240 308.0647 308.2054 308.3461 308.4868 308.6275 308.7681 308.9088 309.0494 309.1900 309.3306 309.4712 309.6118 309.7524 309.8930 310.0335 310.1741 310.3146 310.4551 310.5956 310.7361 310.8766 311.0171 311.1575 311.2980 311.4384 311.5788 311.7192 311.8596 312.0000 312.1404 312.2808 312.4211 312.5615 312.7018 312.8421 312.9824 313.1227 313.2630 313.4033 313.5435 313.6838 313.8240 313.9643 314.1045 314.2447 314.3849 314.5251 314.6652 314.8054 314.9455 315.0857 315.2258 315.3659 315.5060 315.6461 315.7862 315.9262 316.0663 316.2063 316.3463 316.4864 316.6264 316.7664 316.9063 317.0463 317.1863 317.3262 317.4662 317.6061 317.7460 317.8859 318.0258 318.1657 318.3055 318.4454 318.5852 318.7250 318.8649 319.0047 319.1445 319.2842 319.4240 319.5638 319.7035 319.8433 319.9830 320.1227 320.2624 320.4021 320.5418 320.6814 320.8211 320.9607 321.1003 321.2400 321.3796 321.5192 321.6588 321.7983 321.9379 322.0774 322.2170 322.3565 322.4960 322.6355 322.7750 322.9145 323.0539 323.1934 323.3328 323.4723 323.6117 323.7511 323.8905 324.0299 324.1692 324.3086 324.4479 324.5873 324.7266 324.8659 --------------------------------------------------------------------------------------- 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 20250628T172625.1Z 9310.726680 257 1 31.03 2 9.33 58.68 51.97 82.43 0.00 1 0.00 1 0 17 1.386e-02 1.157e-02 4.691e-03 3.150e-03 1.471923e-01 1.712465e-03 1.624392e-03 -6.000000e+00 8.463293e-03 228.16 -2.00 3.11 -2.00 315.00 0.00e+00 9.027451e-04 1.526203e-04 1.131647e-04 -6.000000e+00 3.870602e-04 293.80 -2.00 20.00 -2.00 314.27 0.00e+00 1.013 0.000 302.00 328.00 3 6.9360e+00 4.3791e-03 1.1864e-02 -6.0000e+00 2.0946e-02 8.1734e-02 4.8369e-03 6.7266e-03 -6.0000e+00 2.2545e-02 -5.0216e-03 2.7774e-03 3.2520e-03 -6.0000e+00 1.3524e-02 -2.8545e-03 1.2403e-03 9.3908e-04 -6.0000e+00 5.8464e-03 1.6747e-04 -5.0078e-04 1.0002e-04 1.4509e-05 -6.0000e+00 4.2858e-04 -2.7508e-02 -5.6530e-06 12 8 8 10 0 0 97.82 20.68 0.25 -0.02751 -0.03127 8 8 1 5 0 3877.470 26.73 20.00 20.68 30.43 41.5 985.23 359 1809 1410 -533 -4337 -2389 -2629 -451 -966 -438 -2254 -2781 180 771 1162 1887 2109 1260 1933 1316 677 -234 -366 1920 871 523 -1065 -312 -1105 -903 257 -53 44 -2269 -1417 -3892 -4326 -1217 -132 383 -373 296 730 267 347 -72 -415 -1028 -1657 -855 -432 280 140 1415 1707 894 445 -60 -12 305 663 1891 2721 1843 782 -172 -1621 -1433 -105 1322 820 1281 1123 1161 146 -1141 -2446 -3838 -2994 -2541 -1615 -1825 -1947 -1268 9 552 913 1981 1292 1019 347 -928 -1671 -1508 -1870 -414 338 733 581 705 -404 -1314 -1106 -1267 -1325 -903 -582 337 1439 2157 1363 1847 351 -14 -571 -1290 -1723 -178 96 753 894 419 522 529 144 -781 -1188 -641 -492 -341 -309 -284 -96 102 283 212 522 573 673 91 -461 -1277 117 614 477 -172 -1321 -684 -783 -144 -332 -153 -792 -994 67 313 511 867 991 606 943 658 344 -120 -188 998 471 288 -581 -161 -544 -431 124 -27 23 -1203 -718 -2005 -2392 -742 -91 288 -300 244 609 225 290 -60 -337 -815 -1288 -658 -340 228 118 1213 1482 791 397 -54 -10 270 601 1777 2666 1855 778 -162 -1452 -1259 -96 1278 840 1346 1179 1187 143 -1046 -2103 -3215 -2554 -2319 -1574 -1892 -2110 -1420 11 669 1145 2510 1638 1258 408 -1029 -1745 -1539 -1966 -457 396 905 738 882 -488 -1525 -1262 -1488 -1632 -1155 -765 452 1977 3040 1965 2637 489 -18 -717 -1569 -2102 -222 125 1016 1229 576 704 691 182 -960 -1423 -767 -605 -434 -403 -374 -128 139 401 310 776 861 1014 137 -679 -1857 SS 20250628T173544.2Z 9310.733151 263 1 31.07 2 7.52 50.81 49.84 82.96 0.00 1 0.00 1 0 17 1.289e-02 1.133e-02 4.733e-03 3.182e-03 1.445338e-01 1.729803e-03 1.573786e-03 -6.000000e+00 7.870730e-03 228.16 -2.00 3.11 -2.00 314.99 0.00e+00 7.828573e-04 1.538701e-04 8.871071e-05 -6.000000e+00 3.599557e-04 293.80 -2.00 20.00 -2.00 314.26 0.00e+00 1.009 0.000 302.00 328.00 3 6.9630e+00 4.4235e-03 1.1746e-02 -6.0000e+00 1.9479e-02 7.4253e-02 4.8861e-03 6.5842e-03 -6.0000e+00 2.0966e-02 -1.8423e-03 2.8045e-03 3.1869e-03 -6.0000e+00 1.2577e-02 -2.3487e-03 1.2517e-03 9.1966e-04 -6.0000e+00 5.4372e-03 1.6499e-04 -3.8324e-04 1.0089e-04 1.3857e-05 -6.0000e+00 3.9856e-04 -2.7509e-02 4.5861e-06 12 9 8 11 8 0 96.25 20.68 0.44 -0.02751 -0.03039 8 8 1 5 0 3883.580 26.73 20.00 20.68 31.03 41.3 985.07 1179 1274 -1004 -2131 -2143 -2615 -756 292 -80 -1284 -1879 -1729 -1019 309 1897 92 868 687 1075 1183 1368 1584 1053 1683 420 1414 -495 -951 -195 -741 75 1021 901 -1364 -3034 -3428 -3227 -1137 -248 -1097 7 376 -295 -106 439 -367 -890 -759 -1310 -915 332 420 1006 993 1222 1414 587 -232 124 582 342 1436 2478 1963 1166 -390 -2072 -1481 -511 983 1048 1568 1720 928 -297 -1455 -1904 -3491 -3176 -2640 -1825 -1875 -1659 -1270 -164 301 1387 1758 1019 942 698 -836 -1781 -1761 -1540 -476 710 1033 649 401 -69 -1316 -1355 -1171 -1653 -650 -558 537 1637 2112 1507 1046 603 -3 -778 -857 -1590 -276 -467 441 940 1006 100 223 125 -1050 -348 -392 -542 -460 -408 -47 -44 1 155 633 468 513 652 -192 -104 -1495 385 436 -349 -699 -642 -753 -222 93 -28 -454 -661 -615 -385 127 830 43 413 333 528 593 692 797 536 878 229 773 -270 -494 -95 -354 36 510 467 -717 -1559 -1759 -1769 -694 -170 -837 6 310 -248 -89 367 -306 -727 -600 -1016 -705 260 341 843 854 1065 1245 523 -207 110 515 311 1356 2433 1975 1157 -368 -1862 -1301 -465 953 1073 1643 1799 950 -291 -1337 -1630 -2916 -2712 -2412 -1782 -1945 -1793 -1423 -191 366 1734 2234 1295 1165 819 -926 -1862 -1800 -1616 -526 830 1274 823 503 -83 -1527 -1549 -1375 -2041 -830 -734 721 2246 2979 2171 1502 839 -4 -976 -1038 -1938 -343 -609 595 1292 1377 135 292 159 -1292 -414 -468 -667 -586 -531 -62 -59 2 219 920 694 771 982 -287 -152 -2176 SS 20250628T174907.8Z 9310.742452 272 1 31.05 2 5.42 30.52 46.76 83.74 0.00 1 0.00 1 0 17 1.265e-02 1.053e-02 3.964e-03 2.723e-03 1.407092e-01 1.482540e-03 1.542560e-03 -6.000000e+00 7.730513e-03 228.16 -2.00 3.11 -2.00 314.88 0.00e+00 6.319076e-04 1.291131e-04 1.088345e-04 -6.000000e+00 3.535172e-04 293.80 -2.00 20.00 -2.00 314.16 0.00e+00 1.004 0.000 302.00 328.00 3 6.7312e+00 3.7877e-03 1.1604e-02 -6.0000e+00 1.9132e-02 6.8235e-02 4.1806e-03 6.3777e-03 -6.0000e+00 2.0591e-02 2.5480e-03 2.4014e-03 3.0988e-03 -6.0000e+00 1.2352e-02 -6.4561e-03 1.0685e-03 8.6700e-04 -6.0000e+00 5.3414e-03 2.1114e-04 -1.9913e-04 8.6301e-05 1.4188e-05 -6.0000e+00 3.9137e-04 -2.8853e-02 1.2653e-05 12 8 8 10 0 0 99.87 20.68 0.37 -0.02885 -0.03035 10 10 1 5 0 3104.120 26.73 20.00 20.68 31.90 41.2 985.12 1366 244 630 -1990 -2966 -2887 -153 -1843 423 -458 -2795 -1656 -1905 -173 1723 1157 1946 780 1954 446 1476 -58 1197 912 1626 379 -464 392 -1043 1224 -790 1408 -40 -1446 -2459 -3743 -2890 -195 -176 -177 -317 -19 593 -338 436 10 -1322 -982 -1486 -685 -988 408 778 640 1772 258 736 -425 454 -255 1174 1815 2340 1707 1030 214 -1537 -675 -310 463 927 1144 1386 635 94 -886 -1988 -3530 -2626 -2419 -2239 -1502 -1490 -1034 -216 969 1065 1575 1632 583 378 -966 -1533 -2636 -1427 -580 439 410 943 644 -537 -834 -944 -985 -1307 -1036 -446 326 1324 1545 1365 989 625 -54 -611 -1119 -918 -231 377 330 1008 747 524 285 -63 -596 -647 -732 -151 -173 -295 -95 -128 362 -343 390 629 365 295 5 -506 -1006 459 87 223 -673 -926 -863 -46 -618 149 -166 -1026 -609 -749 -73 776 550 940 387 976 230 763 -30 624 491 897 214 -259 207 -527 590 -393 718 -22 -777 -1285 -1968 -1612 -120 -123 -136 -258 -16 501 -289 368 9 -1095 -787 -1168 -533 -789 335 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