File name: Pandora141s1_Calakmul_20250506_L2Fit_fout2c3d20231011p1-8.txt File generation date: 20250507T060233.6Z 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_20250506_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: 20250506 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 20250506T132934.9Z 9257.562209 183 1 3.99 2 62.72 80.34 152.07 352.32 0.00 1 0.00 1 0 17 2.761e-02 1.120e-02 2.475e-02 8.776e-03 2.600343e-01 4.770141e-03 2.831384e-03 -6.000000e+00 1.707270e-02 229.83 -2.00 3.11 -2.00 316.94 0.00e+00 -8.737071e-05 6.438648e-04 4.223447e-04 -6.000000e+00 7.690359e-04 292.70 -2.00 20.00 -2.00 316.08 0.00e+00 2.170 0.000 302.00 328.00 3 5.2923e+00 1.2512e-02 2.4119e-02 -6.0000e+00 4.2450e-02 1.4140e-02 1.3935e-02 1.2147e-02 -6.0000e+00 4.5538e-02 7.8540e-03 8.2382e-03 5.8082e-03 -6.0000e+00 2.7264e-02 -7.1646e-03 4.0174e-03 1.7086e-03 -6.0000e+00 1.1826e-02 2.3855e-04 3.5774e-04 2.8025e-04 2.2871e-05 -6.0000e+00 8.5255e-04 -7.1845e-02 1.9666e-04 12 9 9 12 1 1 999.00 19.91 0.51 -0.07185 -0.06916 1 30 1 5 0 1989.330 26.11 20.00 19.91 32.64 37.6 981.51 12730 747 -5862 -12208 783 2518 -10443 -5302 -4588 -5967 2671 3124 -6591 -6264 1734 495 -3678 -3277 4195 1163 5085 1358 5631 -121 -1124 3017 -1840 1305 2184 3182 -3120 7592 3041 -704 -2597 -3541 -1022 -4044 128 -2939 -1762 -1189 -738 114 1188 2088 -443 1756 -1796 -417 -1520 1514 1043 22 109 1244 2738 -9 500 -80 1968 1449 1753 1734 266 -287 -1291 2135 99 664 157 -926 1264 295 1133 -500 101 -803 201 -986 -1443 -2687 -3659 -1436 -1558 -133 -125 1797 359 551 -16 -595 -61 -1141 88 124 2291 -1354 1169 -474 -1672 -504 -1137 -550 -989 -2024 -590 -306 427 394 1519 941 806 -389 -507 61 1098 1463 938 104 1100 106 395 -188 -72 -356 501 973 57 -451 29 -1049 -424 -208 -74 256 946 -1 274 -465 -734 -558 1335 96 -828 -1767 93 281 -1354 -723 -687 -956 403 482 -1203 -1281 371 117 -949 -875 1087 319 1384 384 1561 -37 -361 968 -616 412 655 926 -984 2340 1035 -254 -933 -1265 -376 -1716 60 -1590 -1021 -718 -456 71 733 1278 -274 1051 -1092 -252 -955 977 707 16 79 915 2019 -7 373 -60 1477 1138 1452 1492 233 -244 -1054 1670 81 582 147 -903 1222 282 1033 -434 82 -632 160 -846 -1341 -2689 -3868 -1554 -1757 -155 -151 2196 443 668 -19 -663 -64 -1186 93 138 2694 -1727 1524 -625 -2156 -618 -1359 -663 -1240 -2656 -792 -422 605 578 2281 1432 1209 -568 -708 81 1456 1975 1317 152 1631 157 579 -271 -101 -485 663 1284 78 -643 43 -1581 -647 -324 -119 423 1587 -2 469 -793 -1232 -917 SS 20250506T133447.4Z 9257.565826 186 1 59.72 2 61.50 80.65 152.22 354.94 0.00 1 0.00 1 0 17 5.965e-02 1.418e-02 6.211e-02 1.376e-02 2.477722e-01 7.456851e-03 2.711452e-03 -6.000000e+00 3.690956e-02 229.83 -2.00 3.11 -2.00 318.11 0.00e+00 -1.540381e-03 1.338545e-03 4.739747e-04 -6.000000e+00 1.662474e-03 292.70 -2.00 20.00 -2.00 317.20 0.00e+00 2.086 0.000 302.00 328.00 3 7.7901e+00 2.0033e-02 2.3306e-02 -6.0000e+00 9.1773e-02 -1.1826e-02 2.2631e-02 1.2359e-02 -6.0000e+00 9.8425e-02 4.0818e-02 1.4026e-02 5.6555e-03 -6.0000e+00 5.8929e-02 -1.4240e-02 7.1125e-03 2.3479e-03 -6.0000e+00 2.5578e-02 2.1742e-05 8.4215e-04 4.5592e-04 2.5528e-05 -6.0000e+00 1.8416e-03 -7.2289e-02 3.6095e-04 12 8 8 10 0 0 99.99 19.91 1.41 -0.07229 -0.06596 48 48 1 5 0 1243.960 26.11 20.02 19.91 32.79 37.6 981.57 29644 16708 35851 -10911 1994 -14245 16292 6676 696 -15318 2909 2753 4321 5414 -9566 3165 1246 384 -14390 -7987 5664 -3960 2715 -9654 3600 -1523 6337 -811 -8845 5290 -5151 5148 14516 295 29 8312 7301 3702 389 -1432 8008 -1502 -277 -927 -215 -2987 -916 -1170 -5260 -792 -2364 2844 -2978 1618 -946 3559 2690 -459 -1337 -3290 -204 -1737 3928 -172 2641 5023 158 719 -2023 1723 -1469 829 419 3667 1346 -2251 -280 -2753 540 -3383 -211 -3203 -1297 -57 -927 1436 -1066 88 770 2588 858 -594 -965 73 -316 -1466 -528 2414 1627 268 -1340 -2548 -760 -500 -477 -529 -1252 -2034 1509 246 606 1086 -640 -438 371 -811 240 459 204 -128 1093 137 -1341 1355 -757 1618 480 539 1047 -1036 916 -52 -279 -446 474 -850 418 77 10 282 -822 -119 1704 1186 2212 -1000 151 -1190 1066 530 65 -1768 290 281 470 654 -1488 479 203 66 -2920 -1583 1017 -787 517 -2172 761 -352 1369 -180 -2009 1021 -1123 1091 3015 72 7 1822 1712 1031 132 -571 3228 -702 -132 -451 -104 -1477 -438 -549 -2526 -366 -1151 1402 -1648 900 -559 2076 1613 -285 -829 -2070 -127 -1164 2684 -128 1941 3444 106 468 -1411 1277 -1222 710 364 3019 1070 -1702 -190 -1816 353 -2507 -169 -2888 -1233 -56 -984 1588 -1273 108 940 3029 962 -626 -943 69 -306 -1554 -610 2958 2125 355 -1724 -3102 -873 -582 -588 -692 -1725 -2949 2219 387 989 1792 -1047 -676 530 -1110 321 632 299 -198 1725 218 -2116 2018 -1104 2205 636 712 1437 -1537 1401 -82 -454 -754 832 -1581 792 150 19 542 -1557 -218 SS 20250506T133951.6Z 9257.569347 189 1 60.63 2 60.32 80.95 152.32 357.51 0.00 1 0.00 1 0 17 2.952e-02 8.497e-03 2.404e-02 6.491e-03 2.422221e-01 3.513360e-03 2.616309e-03 -6.000000e+00 1.826113e-02 229.83 -2.00 3.11 -2.00 317.80 0.00e+00 2.498763e-04 5.806103e-04 1.810106e-04 -6.000000e+00 8.225772e-04 292.70 -2.00 20.00 -2.00 316.90 0.00e+00 2.010 0.000 302.00 328.00 3 7.0452e+00 9.3709e-03 2.2439e-02 -6.0000e+00 4.5405e-02 3.1083e-02 1.0532e-02 1.1360e-02 -6.0000e+00 4.8703e-02 1.5545e-02 6.3951e-03 5.5170e-03 -6.0000e+00 2.9159e-02 -1.2930e-02 3.2067e-03 1.5394e-03 -6.0000e+00 1.2651e-02 4.8942e-05 5.6199e-04 2.1349e-04 2.0080e-05 -6.0000e+00 9.1158e-04 -7.1713e-02 2.7759e-04 11 9 0 11 8 0 100.00 19.91 0.33 -0.07171 -0.06749 44 44 1 5 0 1377.700 26.11 19.98 19.91 32.89 37.6 981.50 -8883 2714 -325 -1486 -12095 -14101 828 9097 8636 -1239 -1342 -4309 15052 1688 -2790 -1480 -2567 7135 -4001 -1647 2093 547 -1075 3013 1800 182 -998 -858 1928 -1387 4942 1750 7977 -1693 -4065 -1962 10 -1856 -1359 794 -981 1787 -1578 -1565 -1499 -2490 88 -2534 634 693 3540 325 926 167 1023 391 -273 307 -818 746 450 2027 900 1584 478 822 -1287 -1664 1510 1102 921 1131 -140 1418 -992 219 -1762 13 -1456 -649 -1642 -643 -1262 -1514 -768 -1674 240 329 1495 -119 599 434 -1179 1488 142 1092 494 2 213 -492 -826 -348 913 -856 -1272 -1524 -52 -1165 339 718 740 824 -251 632 -450 26 91 -151 -473 481 -355 -239 824 108 298 -246 516 385 218 367 -30 311 -707 730 -623 360 92 -110 -122 -221 278 -631 -859 259 -33 -147 -1224 -1377 72 811 855 -142 -157 -528 1671 240 -465 -268 -496 1308 -844 -352 443 118 -239 674 429 46 -254 -210 437 -315 1089 426 1958 -468 -1124 -523 3 -598 -512 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