File name: Pandora75s1_EssexMD_20240804_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T075422.6Z 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 v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20240804_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: 20240804 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 20240804T111936.1Z 8982.471945 83 1 52.75 2 77.88 77.81 77.33 73.77 0.00 1 0.00 1 0 17 4.736e-01 2.063e-02 2.131e-01 5.426e-03 5.726398e-01 3.020844e-03 7.687997e-03 -6.000000e+00 2.907517e-01 232.06 -2.00 3.48 -2.00 320.62 0.00e+00 3.707622e-03 1.261230e-03 6.484705e-03 -6.000000e+00 1.388988e-02 290.94 -2.00 20.00 -2.00 319.89 0.00e+00 4.616 0.002 302.00 328.00 3 3.9578e+00 9.8099e-03 6.2847e-02 -6.0000e+00 7.2637e-01 1.2420e-01 1.2421e-02 4.9774e-02 -6.0000e+00 7.8377e-01 -1.3589e-01 1.0717e-02 1.9226e-02 -6.0000e+00 4.6755e-01 5.2885e-02 5.2807e-03 4.0807e-03 -6.0000e+00 1.9622e-01 5.2515e-05 1.8833e-03 1.7067e-04 1.0911e-04 -6.0000e+00 1.4960e-02 -1.5004e-03 5.0267e-04 12 8 8 10 0 0 99.97 23.58 0.88 -0.00150 0.01265 15 2 1 5 0 3515.960 26.32 20.00 23.58 32.00 4.7 1036.58 -42186 121204 900000 900000 -185411 -152694 900000 -33014 -162481 -54773 -86457 100008 900000 900000 -27215 -45060 -19280 -94572 15819 -28319 141825 330313 89274 8325 4504 67897 -36994 -19644 -48199 900000 -22161 -19753 1397 -3141 45822 30339 838 -12931 27460 28918 -10284 28922 27385 11884 -538 19466 7242 -9163 -2079 8996 4815 6011 13273 21237 17032 16177 1805 -5791 145 -8292 2802 12398 7246 2831 2901 -14325 6959 -1063 7173 4124 270 9512 -3817 627 398 512 -1290 677 -254 -6107 -3067 -4148 -2519 -1155 -3052 646 -1543 2462 663 2001 1009 -2258 -1115 -2636 -2737 1429 -52 -669 2274 318 -1466 -2316 -1024 -2984 -3472 -1634 -1209 525 638 1930 2828 1272 366 -1109 -74 2427 -722 -383 -154 628 890 1325 1350 425 -507 -1921 201 1077 661 -155 28 -635 -595 -823 141 -1048 -150 1149 -96 898 -592 116 -595 -263 641 900000 900000 -5880 -3375 900000 -254 -5074 -632 -1454 529 900000 900000 -575 -1357 -509 -5848 351 -1033 974 1746 1085 242 145 1220 -1936 -851 -2751 900000 -1171 -1190 78 -196 1744 1347 54 -1114 1901 2338 -1391 2858 2895 1514 -79 2387 1022 -1559 -342 1403 855 1166 2617 4175 3700 3685 487 -1686 39 -2424 758 3316 2279 1025 1098 -6360 2457 -416 2809 1877 140 4731 -2163 324 190 222 -533 274 -114 -3357 -1892 -2661 -1741 -841 -2422 527 -1351 2131 583 1680 803 -1736 -814 -1994 -2273 1298 -55 -734 2601 372 -1646 -2630 -1076 -3214 -3982 -1951 -1522 638 843 2768 4363 2080 602 -1778 -111 3429 -1058 -583 -248 1037 1467 2118 2087 638 -736 -2723 273 1516 1027 -269 49 -1172 -1153 -1691 305 -2226 -325 2486 -209 2006 -1275 238 -1202 SS 20240804T113345.9Z 8982.481781 89 1 2.53 2 75.19 79.93 74.79 75.79 0.00 1 0.00 1 0 17 2.230e-01 1.736e-02 1.711e-01 1.157e-02 4.936021e-01 6.184562e-03 5.905311e-03 -6.000000e+00 1.355257e-01 232.06 -2.00 3.48 -2.00 319.58 0.00e+00 1.270398e-03 1.824070e-03 2.309889e-03 -6.000000e+00 6.207081e-03 290.94 -2.00 20.00 -2.00 318.74 0.00e+00 3.832 0.001 302.00 328.00 3 3.0477e+00 1.7935e-02 4.7190e-02 -6.0000e+00 3.3882e-01 4.0188e-02 2.1232e-02 2.8874e-02 -6.0000e+00 3.6598e-01 -7.4118e-02 1.5774e-02 1.3047e-02 -6.0000e+00 2.1866e-01 2.9042e-02 8.1240e-03 3.3105e-03 -6.0000e+00 9.1174e-02 3.1231e-04 3.7005e-05 3.5781e-04 4.6758e-05 -6.0000e+00 6.9188e-03 3.7913e-03 -7.2737e-05 12 9 9 12 1 1 999.00 23.60 0.33 0.00379 0.00407 1 7 1 5 0 1262.560 26.32 19.99 23.60 32.50 4.6 1038.95 -134921 -33792 900000 -57780 -64279 -112715 77507 -45701 -87198 -49654 52626 -24305 -7765 -31224 -7567 -27694 5619 16180 -9252 -10963 -18621 7396 -5724 5897 -6562 11358 -14087 -4135 -28957 4165 5564 -11318 22388 -9781 -3323 -17779 629 -5560 3350 7137 -3652 3397 6585 3151 3550 6771 13084 -1696 -3234 -464 570 -948 10502 4459 5907 5161 3252 -4697 6106 3375 3848 87 299 3017 3813 -12 1759 -282 563 2820 2205 -450 -210 -798 -819 -4345 3734 -2513 -1800 -4520 -1666 -4945 2395 206 -2558 -743 526 -283 -2317 209 1864 -1347 -2813 -600 -2477 798 2882 -131 -172 691 -1858 -1368 -91 -1583 -1974 -2104 -65 -420 1911 279 1597 29 1403 19 -480 -629 -1729 67 64 722 2695 289 896 1696 843 -228 192 1088 433 499 -1311 -453 135 455 -1150 27 533 884 -495 275 107 -1433 -960 -5949 -686 900000 -1564 -1740 -4831 874 -1186 -3836 -1624 653 -713 -228 -1409 -324 -1687 273 766 -605 -767 -1449 450 -413 406 -548 833 -1350 -350 -3070 329 483 -1328 2096 -1335 -420 -2607 84 -922 612 1481 -861 801 1573 798 906 1694 3099 -471 -935 -137 180 -335 3586 1737 2392 2185 1437 -2062 2586 1464 1720 40 152 1625 2097 -7 938 -156 335 1845 1467 -322 -149 -545 -560 -2798 2067 -1474 -1137 -3106 -1275 -4076 1995 187 -2555 -777 532 -297 -2478 210 1845 -1284 -2597 -549 -2512 826 3319 -163 -227 899 -2343 -1689 -105 -1884 -2351 -2658 -85 -588 2656 430 2461 47 2206 29 -733 -923 -2582 103 98 1142 4198 451 1428 2575 1234 -325 266 1552 678 807 -2196 -792 245 868 -2244 55 1099 1758 -991 554 206 -2691 -1770 SS 20240804T144724.6Z 8982.616257 213 1 3.82 2 38.50 115.01 39.00 107.87 0.00 1 0.00 1 0 17 1.359e-02 1.002e-02 7.286e-03 4.913e-03 1.812354e-01 2.653417e-03 2.150892e-03 -6.000000e+00 8.258023e-03 232.05 -2.00 3.48 -2.00 315.02 0.00e+00 6.807513e-04 2.352448e-04 9.420379e-05 -6.000000e+00 3.732033e-04 290.94 -2.00 20.00 -2.00 314.29 0.00e+00 1.277 0.000 302.00 328.00 3 4.8281e+00 6.8536e-03 1.5871e-02 -6.0000e+00 2.0646e-02 3.2772e-02 7.5996e-03 9.2956e-03 -6.0000e+00 2.2301e-02 6.5141e-03 4.3309e-03 4.4769e-03 -6.0000e+00 1.3318e-02 -9.0610e-03 1.8561e-03 1.2270e-03 -6.0000e+00 5.5374e-03 9.6814e-04 -3.4790e-04 1.5472e-04 1.8569e-05 -6.0000e+00 4.2116e-04 4.0732e-03 -4.0245e-05 12 9 9 12 1 1 999.00 23.60 0.19 0.00407 0.00146 1 4 1 5 0 1908.630 26.32 20.00 23.60 36.12 4.6 1063.88 -2616 -721 1354 2179 -4395 -1457 -3451 -3678 -1334 -1371 -2152 -1601 -2557 1060 865 -820 516 219 937 2184 2514 1800 1948 329 198 1301 1718 753 89 -301 1527 1262 108 -1792 -2778 -3127 -3092 -4122 1489 -22 -830 -491 642 287 590 131 216 -1093 -136 715 452 1414 622 1007 1424 681 163 394 249 -26 583 2553 2741 424 465 -34 -1081 -474 -769 1104 1360 1261 582 520 -812 -572 -2238 -2078 -721 -2087 -2190 -1489 -2361 -2099 -792 232 340 701 249 1021 -221 -250 -1222 -539 -1008 2 385 1186 222 -222 -1062 -1253 -637 -821 -472 -1458 -186 -62 584 920 1164 924 793 -235 161 -42 59 -484 584 540 667 1294 803 122 1225 95 -784 980 101 8 -439 497 -584 354 84 -460 -9 374 273 194 -439 -1102 -1126 -826 -242 453 687 -1343 -444 -1005 -1167 -452 -488 -773 -578 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