File name: Pandora75s1_EssexMD_20250326_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250327T051824.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250326_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250326 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 20250326T123013.5Z 9216.520990 109 1 8.48 2 73.31 100.86 64.09 143.12 0.00 1 0.00 1 0 17 2.496e-01 9.872e-03 4.289e-02 2.248e-03 5.936918e-01 1.185279e-03 6.951875e-03 -6.000000e+00 1.489837e-01 227.20 -2.00 3.48 -2.00 319.80 0.00e+00 2.641613e-03 3.754923e-04 2.372593e-03 -6.000000e+00 6.533881e-03 279.36 -2.00 20.00 -2.00 319.19 0.00e+00 3.429 0.001 302.00 328.00 3 2.0147e+00 3.4081e-03 4.6580e-02 -6.0000e+00 3.6959e-01 3.5916e-02 4.0763e-03 3.1902e-02 -6.0000e+00 4.0152e-01 -6.6069e-02 3.4573e-03 1.6679e-02 -6.0000e+00 2.3904e-01 2.0434e-02 1.7836e-03 5.2745e-03 -6.0000e+00 9.9140e-02 1.1233e-03 3.1374e-05 6.6126e-05 8.1395e-05 -6.0000e+00 7.7245e-03 7.9967e-03 3.8910e-05 12 9 9 12 1 1 97.79 23.57 0.39 0.00800 0.00823 28 29 1 5 0 292.110 26.32 20.00 23.57 15.60 6.0 942.70 -143099 -87821 -84588 -47822 -104783 -51718 -56010 -76317 -95821 -59459 -48925 -49085 -28891 -46200 -22403 -26279 -17905 -21163 -13139 -17617 -7179 -1696 -13475 -6185 -13811 -6999 -15553 -9644 -14422 -4232 -7213 -3887 -1771 -9206 -4461 -7668 -2423 -6245 -1851 1124 1498 1203 1201 3104 852 3899 2108 2540 511 3049 3394 1177 4312 3541 2816 1792 1297 415 -88 402 1242 1975 3866 3920 1713 1484 439 779 1074 2488 1068 862 157 578 -660 -1664 -2495 -2587 -1979 -2184 -1589 -2180 -1613 -1357 -973 -323 357 777 713 379 499 -615 -1002 -842 -872 18 580 593 153 -690 -966 -1762 -817 -1459 -950 -1385 -521 -329 673 867 1013 640 140 94 -76 -22 107 307 433 561 749 770 826 785 863 -344 -228 -108 342 44 -270 -770 -351 -300 -66 71 349 402 259 13 -289 -536 -548 -3365 -1540 -1557 -608 -2228 -635 -761 -1422 -2436 -1147 -912 -1033 -608 -1458 -692 -1008 -718 -970 -602 -892 -338 -77 -718 -329 -854 -426 -1053 -607 -948 -268 -542 -331 -168 -1009 -464 -829 -271 -853 -293 186 279 242 255 666 190 861 484 596 128 792 964 379 1472 1207 1025 686 511 165 -35 156 494 852 1831 2044 879 754 223 406 610 1570 695 587 106 371 -424 -979 -1391 -1460 -1224 -1460 -1221 -1777 -1428 -1278 -913 -320 368 816 746 383 471 -586 -926 -800 -856 18 692 751 197 -889 -1239 -2084 -949 -1718 -1177 -1721 -680 -435 960 1293 1558 1029 225 145 -117 -32 159 475 670 895 1185 1242 1284 1173 1299 -505 -329 -163 539 73 -467 -1417 -646 -585 -131 146 704 820 522 26 -555 -1028 -1035 SS 20250326T123522.1Z 9216.524561 113 1 0.74 2 72.34 101.73 63.50 144.29 0.00 1 0.00 1 0 17 2.430e-01 1.301e-02 1.417e-01 7.524e-03 5.625246e-01 3.945168e-03 6.609493e-03 -6.000000e+00 1.449824e-01 227.20 -2.00 3.48 -2.00 319.48 0.00e+00 2.461793e-03 1.118360e-03 2.011800e-03 -6.000000e+00 6.359314e-03 279.36 -2.00 20.00 -2.00 318.85 0.00e+00 3.250 0.001 302.00 328.00 3 1.8490e+00 1.1102e-02 4.3950e-02 -6.0000e+00 3.5966e-01 2.6357e-02 1.3042e-02 2.9726e-02 -6.0000e+00 3.9076e-01 -7.4001e-02 1.0454e-02 1.5324e-02 -6.0000e+00 2.3263e-01 3.1046e-02 5.4502e-03 4.7598e-03 -6.0000e+00 9.6466e-02 1.6346e-03 -3.0339e-04 2.2252e-04 6.7025e-05 -6.0000e+00 7.5190e-03 7.6394e-03 -2.4806e-05 12 9 9 12 1 1 999.00 23.57 0.41 0.00764 0.00536 2 35 1 5 0 243.460 26.32 20.00 23.57 15.74 6.0 943.88 -110227 -83793 -38589 -21158 -116782 -13257 -95819 107260 -85188 -52400 -70537 -13392 -31380 -57412 32635 -28258 1517 -27479 16835 -14729 8983 -15593 7815 8594 -2903 18279 -9909 130 -24101 12827 -6935 3665 2568 -5259 -2221 -4556 4047 -4285 5282 -2530 2165 1291 4320 3716 -145 133 1061 2372 -1012 3162 -1494 6323 765 3985 25 4089 727 311 213 -654 1026 2093 3472 1541 3732 -582 -1027 2840 731 3104 1959 3560 -231 1160 -1163 -2003 -1738 -2944 -3440 -2002 -310 -2383 -1481 -3191 -1534 -450 1310 653 216 1430 -745 -489 -1834 -732 -867 -628 -676 643 44 -170 -1078 -1113 -434 -784 -842 -1534 -1496 -590 1379 1907 826 1144 205 -873 -100 -641 338 630 205 1204 886 879 1388 598 738 -727 365 -273 439 -243 -59 -373 -135 -411 -154 9 160 251 136 267 -547 -177 -948 -3154 -2152 -680 -311 -4199 -165 -2883 787 -2875 -1384 -2381 -285 -967 -2865 814 -1534 69 -1835 778 -983 488 -1098 453 530 -215 1153 -843 10 -2299 894 -672 371 298 -702 -285 -602 535 -655 884 -542 498 323 1101 979 -40 37 302 680 -311 989 -490 2119 296 1608 11 1810 314 135 98 -303 484 982 1791 889 2189 -325 -611 1669 443 2069 1349 2518 -169 792 -802 -1263 -1024 -1765 -2274 -1408 -247 -2050 -1377 -3027 -1528 -471 1334 686 227 1513 -753 -461 -1792 -681 -887 -689 -803 804 59 -226 -1367 -1362 -523 -905 -1029 -1998 -1958 -819 1940 2797 1268 1817 326 -1405 -152 -937 491 951 328 1882 1384 1397 2121 884 1092 -1050 512 -403 674 -396 -99 -666 -242 -781 -297 19 317 502 270 527 -1033 -330 -1756 SS 20250326T124022.9Z 9216.528043 116 1 51.57 2 71.39 102.59 62.94 145.45 0.00 1 0.00 1 0 25 1.549e-01 8.619e-03 4.718e-03 3.438e-04 5.427609e-01 1.805974e-04 6.268787e-03 -6.000000e+00 9.241827e-02 227.21 -2.00 3.48 -2.00 319.30 0.00e+00 2.659758e-03 4.833330e-05 1.343731e-03 -6.000000e+00 4.053523e-03 279.36 -2.00 20.00 -2.00 318.66 0.00e+00 3.094 0.000 302.00 328.00 3 5.3518e-01 5.0390e-04 4.1742e-02 -6.0000e+00 2.2926e-01 2.0148e-02 5.8859e-04 2.7803e-02 -6.0000e+00 2.4908e-01 -4.2925e-02 4.5863e-04 1.4502e-02 -6.0000e+00 1.4829e-01 1.1438e-02 2.3935e-04 4.9114e-03 -6.0000e+00 6.1492e-02 7.1807e-03 -2.7579e-05 1.0276e-05 6.3236e-05 -6.0000e+00 4.7926e-03 8.3535e-03 1.4729e-05 11 8 0 10 0 0 70.81 23.57 0.45 0.00835 0.00815 992 161 1 5 0 51.980 26.32 20.00 23.57 15.84 6.0 944.87 -63896 -49467 -42941 -48510 -53683 -58653 -53446 -49965 -47303 -44736 -41904 -38950 -30916 -23310 -15451 -11698 -9725 -6480 -6598 -5068 -3887 -5304 -4576 -4702 -4438 -5274 -7332 -8597 -8533 -6813 -4546 -2415 -963 -3277 -4987 -5392 -4503 -2335 91 106 -11 607 726 1133 1296 1850 1554 943 751 1304 1689 2313 2524 2521 2059 1830 1044 285 96 494 1483 2458 3011 2787 1698 736 46 193 967 1652 1101 938 680 198 -478 -1542 -2249 -2397 -2336 -1761 -1702 -1723 -1913 -1720 -866 -347 421 855 806 613 382 -208 -718 -724 -609 -138 377 493 111 -413 -1139 -1536 -1005 -614 -994 -1076 -610 -230 577 871 827 480 260 -121 -257 -66 157 458 498 416 537 799 842 734 437 -112 -21 180 135 -62 -334 -523 -314 -128 1 134 426 361 199 123 -347 -701 -734 -1320 -1033 -906 -1073 -1179 -1323 -1209 -1218 -1256 -1257 -1218 -1225 -1083 -942 -709 -611 -561 -397 -436 -348 -272 -382 -340 -375 -378 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