File name: Pandora55s1_QueensNY_20230618_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T114609.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230618_L1_smca1c18d20230426p1-8.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: 20230618 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20230618T113345.7Z 8569.481779 101 1 49.28 2 68.16 77.32 69.12 71.47 0.00 1 0.00 1 0 33 4.954e-01 6.332e-02 7.251e-02 2.835e-03 3.884276e-01 1.493428e-03 4.879980e-03 -6.000000e+00 2.994655e-01 232.91 -2.00 3.51 -2.00 318.62 0.00e+00 2.981696e-02 3.167935e-04 1.265499e-03 -6.000000e+00 1.339736e-02 287.00 -2.00 20.00 -2.00 317.85 0.00e+00 2.664 0.000 302.00 328.00 3 4.5239e+00 4.0949e-03 3.5164e-02 -6.0000e+00 7.5166e-01 2.9913e-01 4.6035e-03 3.4131e-02 -6.0000e+00 8.1064e-01 -4.2985e-01 2.8528e-03 1.7454e-02 -6.0000e+00 4.8288e-01 2.1998e-01 1.4839e-03 2.2717e-02 -6.0000e+00 2.0236e-01 2.1066e-04 -1.3697e-03 8.4150e-05 2.4469e-04 -6.0000e+00 1.4814e-02 3.7941e-03 0.0000e+00 12 9 8 11 8 0 39.45 22.66 0.40 0.00379 -0.00650 13 2 1 5 0 3790.010 26.00 20.02 22.66 25.60 34.9 1079.80 66583 101784 900000 96548 157249 165124 105086 346608 88766 65396 22506 31838 25130 55559 121580 78191 61678 -102157 121200 110809 107027 69238 71155 30883 32517 14897 61078 15168 17693 20336 37147 47991 42966 34556 42493 60323 27638 18975 21351 17819 650 7808 -2551 5603 8786 21016 13771 27416 23833 24518 18354 14494 11026 18155 12898 4949 3374 -4559 -4246 -6145 -2270 4570 3620 1827 6976 2469 7974 2927 2946 1763 -3274 -1665 -2990 -6066 -3117 -6434 -4806 -1141 -4124 -3701 -3235 416 -2166 -2796 -5709 -4757 -6446 -4632 -5026 -3208 -2804 -2941 -2234 -2438 -3903 -2939 -2413 -1045 -155 578 886 708 765 1394 2 -1407 -408 -1445 398 1773 1116 -315 1007 255 -362 -39 1215 1950 1353 1288 681 1953 3402 3479 2120 1192 1557 2284 1721 1468 2429 2246 2372 1465 801 -433 -417 -808 -1452 -2062 -1694 -1813 -1934 -2706 3981 5211 900000 5510 4624 3926 3893 1191 3373 2914 1417 1873 1848 3963 5942 6905 7140 -53113 9190 9588 9607 8514 7995 4642 4466 2267 5889 2204 2564 3050 5364 7267 7697 7092 8053 9237 5599 4370 5306 5000 226 2674 -997 2144 3403 7663 5499 9976 9000 9316 7537 6439 5284 8506 6429 2619 1783 -2516 -2305 -3384 -1248 2532 2205 1226 4733 1747 5207 1912 1922 1229 -2550 -1348 -2479 -5071 -2450 -4878 -3355 -736 -2740 -2631 -2554 350 -1990 -2700 -5831 -5024 -7196 -5291 -5873 -3700 -3156 -3161 -2249 -2351 -3805 -3011 -2682 -1258 -199 774 1184 910 929 1624 3 -1753 -526 -1942 548 2533 1685 -500 1609 404 -557 -58 1718 2748 1968 1953 1071 3080 5269 5285 3171 1740 2204 3142 2394 2138 3708 3581 3874 2450 1379 -775 -767 -1517 -2758 -3939 -3189 -3334 -3447 -4763 SS 20230618T114543.0Z 8569.490081 104 1 49.58 2 65.95 79.07 67.02 73.07 0.00 1 0.00 1 0 17 1.922e-01 1.117e-02 2.807e-02 2.350e-03 3.746568e-01 1.240540e-03 4.404525e-03 -6.000000e+00 1.162017e-01 232.91 -2.00 3.51 -2.00 318.28 0.00e+00 1.436377e-03 2.401709e-04 2.550355e-04 -6.000000e+00 5.136245e-03 287.00 -2.00 20.00 -2.00 317.48 0.00e+00 2.436 0.000 302.00 328.00 3 4.5685e+00 3.3780e-03 3.1602e-02 -6.0000e+00 2.9166e-01 2.9618e-02 3.8311e-03 1.9992e-02 -6.0000e+00 3.1454e-01 -6.7604e-03 2.4871e-03 9.5789e-03 -6.0000e+00 1.8725e-01 -3.5532e-04 1.2698e-03 2.9963e-03 -6.0000e+00 7.8223e-02 2.9145e-04 -4.2414e-04 7.2177e-05 3.3517e-05 -6.0000e+00 5.7435e-03 2.9259e-03 0.0000e+00 12 9 8 11 40 0 13.79 22.67 0.31 0.00293 -0.00026 16 3 1 5 0 3098.280 26.00 20.02 22.67 26.01 34.8 1081.83 -40552 -23571 198455 -35347 507 12333 -12999 65674 8468 -7078 -17237 -10412 4429 -7599 22972 1160 -13218 3656 24614 11974 2858 -3269 6448 -9374 -2268 -2761 20364 -5125 -5107 -6800 -2082 2790 618 -6246 164 11098 -3393 -3861 1347 2221 -3831 1150 -2366 -2137 -1665 4905 -1981 3045 868 3079 327 -1145 -1365 4494 -436 787 3485 72 2575 29 1289 3329 776 -1722 586 -2235 2608 -270 773 1357 -1658 -96 210 -1551 1155 168 412 2073 18 -968 -1479 1051 -911 -1010 -2169 -914 -1510 -706 -1076 95 -54 56 467 1192 611 986 -202 677 -65 -389 -466 -640 -132 1219 731 -772 -405 -898 73 979 461 -687 -152 -155 -451 85 379 1195 98 -179 -741 -80 801 -82 31 -305 121 1017 196 -174 829 506 619 224 594 -51 390 223 -233 -974 -567 -332 -189 -116 -2576 -1456 1628 -2563 25 511 -697 1856 456 -473 -1310 -775 318 -713 1903 133 -1889 476 2794 1594 427 -524 958 -1672 -403 -517 3160 -983 -944 -1256 -385 542 135 -1532 38 2299 -819 -1039 404 765 -1543 476 -1048 -967 -757 2134 -911 1340 388 1369 154 -576 -731 2424 -254 469 2083 45 1555 17 785 2060 522 -1258 439 -1703 1848 -189 543 1016 -1372 -83 185 -1376 973 135 308 1448 12 -727 -1218 926 -872 -1015 -2280 -996 -1723 -829 -1286 113 -62 62 486 1185 610 1031 -229 820 -84 -524 -625 -826 -161 1433 876 -973 -529 -1212 101 1404 693 -1080 -241 -242 -684 123 532 1665 140 -267 -1146 -125 1231 -125 47 -441 169 1383 270 -249 1244 791 990 365 993 -89 695 405 -429 -1805 -1036 -594 -329 -199 SS 20230618T115659.4Z 8569.497910 109 1 51.25 2 63.84 80.74 65.03 74.57 0.00 1 0.00 1 0 17 7.985e-02 1.129e-02 9.870e-03 1.969e-03 3.507099e-01 1.039969e-03 4.130105e-03 -6.000000e+00 4.827828e-02 232.91 -2.00 3.51 -2.00 317.90 0.00e+00 1.124692e-03 1.790032e-04 1.709556e-04 -6.000000e+00 2.133852e-03 287.00 -2.00 20.00 -2.00 317.09 0.00e+00 2.255 0.000 302.00 328.00 3 4.4943e+00 2.8025e-03 2.9348e-02 -6.0000e+00 1.2118e-01 3.5552e-02 3.1582e-03 1.8565e-02 -6.0000e+00 1.3068e-01 -1.7077e-02 1.9619e-03 8.9345e-03 -6.0000e+00 7.7798e-02 4.2132e-03 9.8262e-04 2.6622e-03 -6.0000e+00 3.2501e-02 3.8738e-04 -4.0222e-04 6.0525e-05 3.0799e-05 -6.0000e+00 2.3861e-03 2.5372e-03 0.0000e+00 12 9 8 11 32 0 28.16 22.66 0.33 0.00254 -0.00049 20 4 1 5 0 2562.350 26.00 20.02 22.66 26.10 35.0 1082.62 -24856 -16855 57077 -22054 8581 4260 -5905 38893 1582 -5620 -14919 -8587 -15774 -853 13951 1684 -6627 -25723 16496 7575 9706 1199 4005 -7024 716 -2647 14571 -2053 -608 -3623 863 3622 526 -3309 -2191 7901 -1072 960 1101 1504 -3541 582 -3156 -1516 -815 2749 -1833 1974 890 2342 899 -607 -768 3753 2573 399 2770 688 1993 505 1307 3058 1087 -733 652 -2080 1387 -712 1160 1142 -1081 -44 -315 -1140 306 -886 769 1865 30 -402 -1310 322 -1269 -1155 -2000 -981 -1924 -509 -1055 -467 -67 -296 38 987 829 977 386 593 -172 -615 -206 -449 -9 907 592 -563 -202 -741 -80 708 425 -621 -53 -66 -427 373 451 1155 433 -126 -767 -307 432 242 324 -7 284 1344 252 -90 821 452 374 479 282 -245 168 252 -471 -659 -328 -364 -312 -322 -1891 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