File name: Pandora55s1_QueensNY_20230821_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230822T065432.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230821_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230821 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: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 20230821T111636.3Z 8633.469865 70 1 49.99 2 78.74 83.64 131.38 62.11 0.00 1 0.00 1 0 25 5.167e-01 2.858e-02 1.527e-01 4.859e-03 5.951668e-01 2.722545e-03 7.264327e-03 -6.000000e+00 3.164514e-01 231.33 -2.00 3.51 -2.00 320.72 0.00e+00 9.818434e-03 1.143529e-03 2.841268e-03 -6.000000e+00 1.500825e-02 289.88 -2.00 20.00 -2.00 320.02 0.00e+00 4.943 0.002 302.00 328.00 3 2.9357e+00 8.7578e-03 5.8959e-02 -6.0000e+00 7.9280e-01 2.4327e-01 1.1029e-02 3.2471e-02 -6.0000e+00 8.5960e-01 -3.5287e-01 8.9841e-03 1.9919e-02 -6.0000e+00 5.1016e-01 1.4763e-01 4.4092e-03 9.6247e-03 -6.0000e+00 2.1354e-01 1.0448e-04 -8.7885e-04 1.4832e-04 1.4213e-04 -6.0000e+00 1.5931e-02 1.4696e-02 0.0000e+00 12 9 9 12 36 4 99.72 19.25 0.38 0.01470 0.00809 22 4 1 5 0 2271.930 25.90 19.97 19.25 29.77 36.2 1077.39 -137123 900000 -186182 -71345 73006 -68285 900000 346299 -58873 -114091 -111713 -135734 -89345 900000 59574 -65230 20891 900000 900000 900000 60110 99102 -63916 -2865 -11422 900000 -6318 -25059 -50966 12191 39516 23002 -41476 38518 216633 -2775 -11821 36355 50893 -366 42458 -6923 15185 7190 53286 -1315 49590 24693 41091 3768 7051 -3977 18594 32178 12504 31762 9978 26126 828 10358 20198 5205 -5611 13835 -8538 19053 -156 3605 6282 -3325 6882 8396 -2070 -3438 1206 4724 12099 -599 -5251 -4017 6494 615 -929 -5828 -1586 -5009 -2602 -4603 -610 -2032 -559 128 262 210 -5160 -3372 -684 -1512 -573 -1211 -1117 793 1949 -294 -2715 -1467 -2010 622 2665 933 -2752 320 46 -962 180 737 3098 327 317 -2171 437 1730 3462 506 236 397 1102 857 -144 1796 1237 2249 1136 574 -1052 521 -235 -220 -1698 -1107 -957 -26 -408 -4716 900000 -11085 -1361 345 -1160 900000 1639 -1079 -3617 -3715 -6639 -3568 900000 882 -3560 560 900000 900000 900000 1305 1475 -4474 -117 -524 900000 -277 -1300 -3481 513 1511 1192 -4280 1922 1952 -202 -1033 2370 3384 -44 3744 -1023 1906 994 4937 -206 4966 3210 4787 662 1311 -891 3648 5911 2853 6235 2409 5373 212 2451 4583 1495 -1975 4431 -3452 5887 -57 1309 2447 -1566 3179 3939 -1047 -1673 522 1825 4165 -237 -2393 -2089 3496 386 -634 -4374 -1215 -4157 -2210 -4067 -520 -1700 -440 94 188 155 -4336 -3131 -699 -1712 -685 -1461 -1286 835 1934 -299 -2948 -1658 -2383 764 3448 1323 -4280 506 74 -1500 269 1064 4404 491 497 -3573 709 2727 5261 767 348 570 1539 1227 -222 2977 2196 4147 2184 1153 -2228 1133 -524 -497 -3882 -2473 -2071 -55 -828 SS 20230821T113113.2Z 8633.480013 79 1 26.53 2 75.99 85.97 129.03 65.46 0.00 1 0.00 1 0 25 2.461e-01 1.304e-02 6.931e-02 3.769e-03 5.030138e-01 2.027567e-03 5.815658e-03 -6.000000e+00 1.492370e-01 231.33 -2.00 3.51 -2.00 319.86 0.00e+00 4.147923e-03 6.566705e-04 4.280770e-04 -6.000000e+00 6.768925e-03 289.88 -2.00 20.00 -2.00 319.08 0.00e+00 4.036 0.001 302.00 328.00 3 2.9451e+00 5.9697e-03 4.8284e-02 -6.0000e+00 3.7307e-01 4.3486e-02 7.2024e-03 2.6804e-02 -6.0000e+00 4.0302e-01 -5.8701e-02 5.7210e-03 1.3814e-02 -6.0000e+00 2.3949e-01 1.9498e-02 2.9330e-03 5.9843e-03 -6.0000e+00 1.0126e-01 2.8134e-04 1.3787e-05 1.1493e-04 6.3525e-05 -6.0000e+00 7.5260e-03 1.3515e-02 0.0000e+00 12 9 9 12 5 5 99.40 19.27 0.28 0.01351 0.01362 17 6 1 5 0 1464.330 25.90 20.01 19.27 30.16 36.1 1079.61 -101360 900000 -114040 -24749 41916 -55083 900000 -46458 -42153 -77987 -34350 -63680 -44784 87374 -6789 -41830 -15292 115825 48934 41926 6097 6765 -30566 -15845 -7968 67427 -3855 -20503 -16403 -2914 14699 4909 -18168 -839 -3881 -6063 -3225 5370 9925 -2994 5421 -4483 -2964 2859 4795 -2699 7247 7214 7705 2455 -165 -3201 8686 5103 3210 3327 3294 3337 635 768 5448 2714 -2128 3643 -4927 3545 -91 1291 677 -634 1548 3263 -1319 -1744 66 802 4306 89 -1808 -2816 1830 -886 -938 -3283 -412 -1665 -1068 -1564 -823 -295 -340 731 846 1225 -658 -774 766 -161 -607 -419 -259 -418 1990 -66 -1168 -1295 -651 -143 -26 501 -430 294 -116 -137 111 547 1400 299 -368 -679 -321 569 930 113 -1 268 893 1079 393 327 689 877 583 339 -700 181 43 -576 -885 -499 -653 41 306 -3095 900000 -4306 -388 333 -1119 900000 -1065 -999 -2712 -851 -2398 -1733 1200 -265 -2549 -794 1911 1599 1519 314 352 -2352 -1135 -561 2413 -266 -1622 -1269 -216 1060 442 -2198 -88 -412 -677 -394 716 1495 -576 1054 -1004 -680 635 1068 -652 1626 1646 1817 640 -48 -1031 2705 1740 1153 1237 1235 1251 241 293 2089 1158 -1034 1798 -2652 1735 -45 649 372 -387 994 2122 -880 -1122 39 439 2178 47 -1054 -1862 1296 -700 -788 -2946 -380 -1625 -1078 -1619 -845 -294 -323 652 729 1069 -623 -806 867 -198 -785 -541 -320 -487 2195 -74 -1389 -1613 -837 -192 -37 747 -679 473 -187 -215 168 798 2028 448 -576 -1098 -522 908 1451 173 -1 389 1263 1548 600 532 1176 1550 1058 639 -1377 367 89 -1205 -1862 -1031 -1315 80 586 SS 20230821T114115.9Z 8633.486990 82 1 50.48 2 74.09 87.58 127.38 67.65 0.00 1 0.00 1 0 25 8.941e-02 6.614e-03 2.089e-02 1.366e-03 4.594978e-01 7.254491e-04 5.345594e-03 -6.000000e+00 5.381748e-02 231.33 -2.00 3.51 -2.00 319.47 0.00e+00 1.263795e-03 2.059903e-04 3.594294e-04 -6.000000e+00 2.426366e-03 289.88 -2.00 20.00 -2.00 318.66 0.00e+00 3.583 0.001 302.00 328.00 3 2.1274e+00 2.0796e-03 4.3327e-02 -6.0000e+00 1.3441e-01 -1.3190e-03 2.4596e-03 2.4629e-02 -6.0000e+00 1.4509e-01 -2.2133e-03 1.8678e-03 1.1853e-02 -6.0000e+00 8.6570e-02 -6.3292e-03 9.6900e-04 3.7980e-03 -6.0000e+00 3.6608e-02 1.0465e-03 1.4193e-05 4.1890e-05 4.1618e-05 -6.0000e+00 2.6892e-03 1.3425e-02 0.0000e+00 12 9 1 12 4 4 99.79 19.27 0.26 0.01342 0.01353 174 33 1 5 0 290.050 26.00 19.98 19.27 31.02 36.1 1084.76 -41976 56230 -40643 -11688 -21650 -10659 15486 -8549 -15890 -31761 -26364 -17066 -16759 9985 -4124 -10149 -6152 9006 5804 1709 2304 1558 -3842 -2588 -3436 6867 -3569 -4901 -6785 -1093 3158 870 -7275 -499 4249 -1693 -2195 1261 -9 -2365 -964 -2863 -1445 -1514 2000 -2053 1099 872 1831 1009 343 167 3029 2153 995 1437 -106 938 -50 1684 2090 1126 -521 462 -816 1214 788 1631 1719 -333 38 -314 -666 -223 63 416 1199 991 -177 -603 -317 -1262 -1206 -1339 -931 -831 -461 -627 -442 113 435 649 1620 1414 903 580 738 -299 -567 -492 -597 -152 850 -11 -1050 -482 -926 122 224 20 -440 -167 50 20 416 822 971 421 -255 -980 -472 -252 -71 -117 -43 432 1277 977 162 540 -10 432 260 428 -429 -128 211 -357 -477 -269 -224 2 118 -1050 613 -1093 -229 -445 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