File name: Pandora75s1_EssexMD_20240616_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240618T224119.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20240616_L1_smca1c1d20221230p1-8.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: 20240616 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-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 20240616T103107.3Z 8933.438279 102 1 41.16 2 81.88 66.36 138.62 309.01 0.00 1 0.00 1 0 17 4.598e-01 1.831e-02 3.169e-01 8.319e-03 8.053233e-01 5.047446e-03 9.413199e-03 -6.000000e+00 2.846058e-01 232.88 -2.00 3.48 -2.00 321.97 0.00e+00 5.287886e-03 2.983122e-03 5.425620e-03 -6.000000e+00 1.259425e-02 287.80 -2.00 20.00 -2.00 321.47 0.00e+00 6.623 0.005 302.00 328.00 3 9.2360e-01 2.0180e-02 8.3692e-02 -6.0000e+00 7.1418e-01 6.5951e-01 2.7935e-02 5.5215e-02 -6.0000e+00 7.6699e-01 -9.2376e-01 2.4693e-02 2.9206e-02 -6.0000e+00 4.5679e-01 3.6544e-01 1.1184e-02 8.7792e-03 -6.0000e+00 1.9501e-01 1.2286e-04 -1.8427e-03 2.5170e-04 1.9731e-04 -6.0000e+00 1.4192e-02 -3.2964e-02 9.6498e-05 12 9 9 12 25 1 64.47 23.51 0.78 -0.03296 -0.04681 56 12 1 5 0 722.090 26.21 19.99 23.51 24.29 4.4 993.11 -169075 900000 -25637 -123601 109660 -59475 60297 -196587 -193347 -186891 49230 -22023 -76428 -98001 -61625 4596 -69807 38560 -65552 -33016 -40086 98878 -69136 70880 -59580 -36606 -63135 -62279 -8024 -51773 -18829 -45462 125228 -11616 10298 -49526 5971 14406 9564 15893 36228 36941 171 44181 32191 33285 21215 32169 5598 17761 19962 6384 29313 21561 27970 14045 28535 19223 18755 29799 15842 15894 5462 23225 10667 14280 14786 16159 8637 12447 8887 6922 15258 3329 5331 -7485 530 -7165 -2485 -2507 755 756 1491 897 1462 1663 -1089 -221 713 3897 -1720 -161 -3675 -6103 -3595 -2748 -971 -2161 -82 -2716 -2069 -1772 -1952 -2274 -3980 -2507 -2457 1153 -89 5 7 627 -1124 90 -317 -473 -302 -156 1582 -643 1388 1422 2818 1847 673 536 627 1197 -212 412 -739 -251 -234 653 -73 4 755 550 253 -337 -634 -1612 -3542 900000 -208 -1921 889 -482 489 -5447 -5488 -5178 399 -179 -1071 -2167 -1181 54 -1956 398 -2030 -755 -975 802 -2192 575 -1845 -918 -2048 -1928 -142 -1527 -472 -1776 1016 -394 273 -2337 172 435 360 656 1362 1471 10 1726 1424 1472 1079 1518 363 1100 1339 546 2183 2063 2654 1583 2823 2058 1947 2707 1696 1856 802 3202 1773 2304 2398 2713 1723 2705 2191 1807 3601 829 1180 -1700 105 -1592 -598 -720 247 285 616 399 691 832 -585 -120 384 1959 -861 -75 -1761 -3177 -2076 -1847 -753 -1947 -78 -2690 -1925 -1497 -1527 -1777 -3340 -2202 -2307 1139 -99 7 10 942 -1753 136 -465 -680 -441 -238 2497 -1065 2218 2190 4125 2634 937 729 850 1728 -353 774 -1558 -570 -568 1686 -183 10 2031 1497 681 -870 -1696 -4108 SS 20240616T104548.5Z 8933.448478 107 1 51.52 2 79.25 68.51 140.72 313.32 0.00 1 0.00 1 0 17 4.746e-01 1.301e-02 2.840e-02 1.277e-03 6.642635e-01 7.199411e-04 8.333049e-03 -6.000000e+00 2.939152e-01 232.88 -2.00 3.48 -2.00 320.66 0.00e+00 3.311361e-03 3.002124e-04 5.163101e-03 -6.000000e+00 1.289363e-02 287.80 -2.00 20.00 -2.00 320.02 0.00e+00 5.159 0.002 302.00 328.00 3 5.3219e-01 2.2891e-03 6.6760e-02 -6.0000e+00 7.3757e-01 1.5194e-01 2.9423e-03 4.6943e-02 -6.0000e+00 7.9197e-01 -2.4735e-01 2.6376e-03 2.1187e-02 -6.0000e+00 4.7148e-01 9.5162e-02 1.2977e-03 5.0696e-03 -6.0000e+00 2.0045e-01 8.9493e-04 -1.0997e-03 3.7487e-05 1.1432e-04 -6.0000e+00 1.4634e-02 -3.4012e-02 1.7166e-04 12 9 8 11 8 0 -3.48 23.50 0.51 -0.03401 -0.04228 268 44 1 5 0 192.200 26.21 20.00 23.50 25.75 4.4 1004.36 -175533 -158295 -142483 -148719 -135431 -157492 -161730 -174265 -149872 -140574 -120368 -110267 -84705 -100619 -68291 -36526 -41550 -34290 -30389 -33000 -23026 -25386 -31502 -19219 -22766 -28714 -15609 -24193 -29140 -40732 -16038 -18516 -5869 -9743 -9388 -6146 -9718 969 -63 648 1275 4637 4172 9099 4680 7678 4638 5477 5071 4419 4098 4765 7806 8378 6634 6089 4431 4549 2512 2572 1524 3937 5682 5702 3481 3569 1888 1282 1898 4092 2693 2708 2308 456 290 -1905 -3838 -4070 -3291 -2545 -1745 -2392 -1583 -1302 -735 -307 391 1019 1043 279 -257 -950 -1564 -2045 -1613 -749 27 213 129 -723 -1440 -2346 -1461 -1161 -1425 -1345 -1032 -250 392 1074 802 721 242 -135 -327 -250 281 417 705 812 874 1286 1166 968 582 -14 -119 119 -19 30 -276 -440 -361 -190 -22 156 354 412 37 -124 -516 -967 -2782 -2526 -2129 -2374 -1778 -2496 -2801 -3787 -2850 -2657 -2188 -2032 -1487 -2644 -1633 -769 -1055 -901 -836 -986 -642 -733 -1004 -582 -765 -1080 -527 -877 -1103 -1856 -667 -938 -302 -563 -538 -341 -609 64 -5 62 137 523 498 1067 584 951 607 735 718 677 697 898 1571 1823 1565 1508 1146 1175 650 659 409 1128 1804 1831 1205 1230 661 469 758 1814 1332 1402 1191 228 133 -811 -1570 -1701 -1521 -1371 -1087 -1567 -1131 -995 -598 -265 324 863 882 249 -216 -757 -1222 -1668 -1460 -716 29 246 161 -907 -1719 -2589 -1607 -1279 -1667 -1548 -1260 -327 522 1582 1218 1153 390 -212 -524 -388 438 679 1131 1343 1434 2040 1908 1529 886 -20 -174 184 -31 53 -515 -879 -720 -402 -48 349 807 953 85 -273 -1142 -2048 SS 20240616T105614.1Z 8933.455719 110 1 51.58 2 77.37 70.01 142.12 316.59 0.00 1 0.00 1 0 17 3.018e-01 1.027e-02 1.435e-02 7.799e-04 5.848065e-01 4.328878e-04 7.070423e-03 -6.000000e+00 1.869315e-01 232.88 -2.00 3.48 -2.00 320.04 0.00e+00 2.396728e-03 1.475174e-04 2.840533e-03 -6.000000e+00 8.200395e-03 287.80 -2.00 20.00 -2.00 319.34 0.00e+00 4.445 0.001 302.00 328.00 3 4.2535e-01 1.2834e-03 5.5522e-02 -6.0000e+00 4.6910e-01 6.6260e-02 1.5684e-03 3.4759e-02 -6.0000e+00 5.0369e-01 -1.2226e-01 1.3222e-03 1.6690e-02 -6.0000e+00 2.9986e-01 4.3224e-02 6.7446e-04 4.3930e-03 -6.0000e+00 1.2749e-01 2.1407e-03 -1.0755e-03 2.3369e-05 7.3963e-05 -6.0000e+00 9.3071e-03 -3.3988e-02 1.7674e-04 12 8 8 10 0 0 -5.69 23.51 0.48 -0.03399 -0.04207 431 70 1 5 0 119.660 26.21 19.99 23.51 26.88 4.3 1010.75 -116302 -102492 -93082 -93089 -108451 -103774 -98239 -99635 -91227 -80744 -85668 -76430 -52936 -53484 -35251 -28478 -20405 -20793 -14146 -16512 -12130 -9836 -16224 -14202 -15028 -8493 -11248 -11903 -16213 -18127 -8473 -8040 -2906 -4765 -6005 -7114 -7225 -3413 34 -163 1632 1525 2099 3302 2640 4304 2925 2597 1985 2398 2125 3364 3693 4095 3100 2681 2409 1838 1163 1121 1638 2329 3564 3576 2483 1495 422 412 920 2401 1722 1858 1055 237 -282 -1765 -2747 -3483 -2861 -2315 -1839 -2216 -1859 -1649 -849 -104 527 901 794 620 -49 -387 -1276 -1444 -1036 -421 221 424 67 -361 -1166 -1739 -1155 -898 -1080 -1265 -610 -289 502 1005 953 623 267 -52 -234 -149 238 546 598 543 638 922 980 626 362 -203 -166 157 178 -91 -294 -565 -451 -93 -117 94 385 399 102 -59 -462 -806 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