File name: Pandora206s1_BuffaloNY_20221114_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T043757.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20221114_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20221114 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: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20221114T135916.8Z 8353.582833 283 1 13.36 2 73.98 135.62 52.90 270.48 0.00 1 0.00 1 0 17 9.999e-02 8.389e-03 1.073e-01 6.478e-03 4.293185e-01 3.181113e-03 5.025326e-03 -6.000000e+00 5.479828e-02 222.80 -2.00 3.55 -2.00 319.58 0.00e+00 3.723664e-04 9.012246e-04 3.198733e-04 -6.000000e+00 2.422290e-03 277.87 -2.00 20.00 -2.00 318.96 0.00e+00 3.563 0.001 302.00 328.00 3 4.3268e+00 8.9614e-03 4.0932e-02 -6.0000e+00 1.3491e-01 2.8599e-02 1.0631e-02 2.1987e-02 -6.0000e+00 1.4749e-01 5.3958e-03 8.7794e-03 1.1119e-02 -6.0000e+00 8.7931e-02 -1.1143e-02 4.6309e-03 3.3463e-03 -6.0000e+00 3.7522e-02 1.3223e-04 7.7329e-04 1.8090e-04 3.4235e-05 -6.0000e+00 2.5489e-03 8.1308e-03 1.6779e-04 12 9 1 12 1 1 99.86 17.78 0.51 0.00813 0.01394 7 17 2 8 0 1648.430 15.01 17.78 7.45 21.38 21.17 12.9 894.21 -21848 26149 36153 -28357 9552 -6816 2832 -83421 -16041 -5599 -6914 38577 6807 1933 -940 2914 3457 -16272 5080 3628 7290 4334 14801 2493 -8224 871 -58 -3150 -11963 2765 -8874 4487 -15063 3168 -3366 -863 -1371 -2625 1362 -671 915 -1792 1329 -2740 1832 -1866 -2794 -1658 1377 -767 -124 926 -524 2841 664 1889 428 2573 -759 -902 169 1528 1385 4562 981 -683 -684 1240 2361 -294 1637 723 2748 -244 1359 -1245 506 -1439 -411 -74 -972 -127 -2890 -904 -1645 -1412 -78 328 -381 809 138 151 -141 -514 98 367 547 914 567 -141 -632 -1085 -755 -491 -588 -1416 -68 -568 -520 556 841 -384 -419 576 21 402 -365 344 -520 -612 145 145 659 390 828 464 883 912 485 315 262 -649 318 -429 52 -156 2 446 -142 98 -257 -270 -648 -435 375 492 -663 142 -119 50 -3806 -440 -148 -186 722 212 73 -44 150 190 -1173 314 239 471 286 932 194 -758 77 -5 -276 -1086 236 -934 464 -2143 389 -407 -107 -185 -424 260 -155 228 -484 362 -786 504 -539 -812 -478 391 -231 -41 318 -196 1105 275 796 188 1093 -324 -383 74 725 733 2557 550 -375 -364 653 1357 -193 1147 529 1936 -168 840 -730 270 -777 -243 -49 -741 -104 -2599 -837 -1602 -1465 -84 358 -418 833 136 137 -121 -449 95 385 630 1180 750 -181 -784 -1265 -821 -562 -711 -1804 -89 -778 -764 858 1350 -635 -671 881 31 561 -523 514 -816 -1007 234 228 1037 587 1183 658 1195 1296 742 510 453 -1143 572 -796 103 -313 5 930 -296 199 -501 -519 -1230 SS 20221114T145543.3Z 8353.622029 307 1 6.15 2 67.61 148.10 62.97 279.18 0.00 1 0.00 1 0 17 3.069e-02 1.073e-02 4.355e-02 9.090e-03 3.100852e-01 4.405312e-03 3.806937e-03 -6.000000e+00 1.680430e-02 222.80 -2.00 3.55 -2.00 317.97 0.00e+00 1.276661e-03 7.684301e-04 2.272354e-04 -6.000000e+00 7.431650e-04 277.87 -2.00 20.00 -2.00 317.32 0.00e+00 2.604 0.000 302.00 328.00 3 5.0163e+00 1.1702e-02 2.9891e-02 -6.0000e+00 4.1367e-02 1.1441e-02 1.3312e-02 1.6125e-02 -6.0000e+00 4.5244e-02 1.9437e-02 8.6107e-03 7.9280e-03 -6.0000e+00 2.6974e-02 -9.8968e-03 4.4758e-03 2.5190e-03 -6.0000e+00 1.1499e-02 1.9114e-04 -3.7856e-04 2.5009e-04 2.5296e-05 -6.0000e+00 7.8288e-04 8.8342e-03 -1.0766e-04 12 9 9 12 1 1 999.00 17.80 0.23 0.00883 0.00599 1 10 1 8 0 2992.720 15.01 17.80 9.17 21.38 21.17 13.0 905.69 -15345 8673 -1118 8929 -14721 3931 -8253 3197 731 2755 2470 7138 4058 1240 4273 -7068 -1815 -2452 -2675 5010 3600 -9379 5337 -3846 -5499 1604 -518 2883 -4268 2058 376 1485 -2892 365 -724 -1984 -3738 2013 1843 -2197 -708 -934 -327 -1644 599 -516 -2146 -1988 2431 -50 782 -1503 2089 3467 915 1400 518 60 2088 2333 1082 2065 422 2451 -485 1839 -1507 -1718 403 9 1635 137 498 -185 -395 -17 629 -1193 -1339 -1815 -262 -407 -938 -2798 -1408 -455 -116 973 1558 585 -1309 558 -902 -114 -804 -178 12 732 221 813 -884 -712 -440 -670 -404 -733 -787 802 -178 402 807 142 -513 -203 -57 714 -300 -471 -1044 107 -159 -1254 509 903 834 236 519 95 1060 -157 4363 -435 -189 310 -332 -141 1076 -747 -766 -277 -443 -42 -876 -1138 572 -84 557 -1024 224 -576 224 59 227 200 587 404 148 579 -1156 -295 -423 -484 875 646 -1887 966 -815 -1242 352 -116 581 -867 415 82 350 -789 98 -180 -501 -1078 624 695 -980 -327 -451 -163 -835 298 -261 -1085 -988 1147 -25 414 -851 1210 2105 571 887 338 39 1329 1479 707 1455 323 1924 -385 1338 -1104 -1250 306 7 1448 125 455 -162 -327 -13 442 -853 -1014 -1505 -234 -396 -948 -2948 -1580 -528 -138 1174 1864 685 -1465 575 -892 -114 -840 -202 15 963 298 1075 -1132 -851 -508 -803 -516 -959 -1060 1119 -260 604 1278 223 -791 -301 -78 955 -412 -667 -1569 165 -245 -1922 762 1308 1172 318 680 129 1523 -235 6576 -693 -300 514 -569 -247 1900 -1352 -1381 -487 -764 -71 -1465 SS 20221114T150312.2Z 8353.627224 310 1 30.56 2 66.91 149.87 64.30 280.28 0.00 1 0.00 1 0 17 7.103e-02 8.100e-03 3.244e-02 5.426e-03 3.154905e-01 2.630040e-03 3.779305e-03 -6.000000e+00 3.892000e-02 222.80 -2.00 3.55 -2.00 318.24 0.00e+00 9.418411e-04 4.936845e-04 9.845187e-05 -6.000000e+00 1.720404e-03 277.87 -2.00 20.00 -2.00 317.58 0.00e+00 2.530 0.000 302.00 328.00 3 6.0385e+00 7.0356e-03 2.9341e-02 -6.0000e+00 9.5815e-02 6.7456e-02 8.0336e-03 1.6077e-02 -6.0000e+00 1.0476e-01 1.3506e-02 5.3410e-03 8.0080e-03 -6.0000e+00 6.2456e-02 -1.3797e-02 2.7963e-03 2.4762e-03 -6.0000e+00 2.6648e-02 7.1113e-05 2.7759e-04 1.5049e-04 2.4585e-05 -6.0000e+00 1.8108e-03 7.4381e-03 9.0587e-05 11 8 0 10 0 0 99.59 17.80 0.59 0.00744 0.00952 8 8 1 8 0 3819.250 15.02 17.80 9.48 21.38 21.17 13.1 908.82 8941 -3652 61606 -1909 -343 44109 -24501 -5940 8441 -1471 6484 -722 -2778 285 -2539 -2873 3861 -6223 -1109 -978 2418 -3276 2676 -43 -1503 -1218 2432 3015 -1212 -1458 -4465 2543 1735 -110 -187 -986 -275 809 2446 -995 63 -2195 1559 -1601 -1216 -2057 -4104 -3167 1040 -336 406 1360 1068 2480 341 807 -37 1168 296 17 996 1459 1093 2382 596 211 -673 -668 1192 630 1355 -647 1485 257 1147 -1060 -609 -1206 -1707 -1072 -720 -316 -2747 -1267 -716 -97 -80 -154 768 1415 -138 613 -206 -924 -814 -144 1129 255 610 125 408 -1153 -820 -468 442 -1295 -841 -176 -141 418 856 816 -837 124 -773 -24 -513 136 -512 79 -55 278 626 302 607 -198 114 648 1065 -172 309 -149 -340 84 -19 125 573 58 116 -197 -310 -151 -773 469 -239 2229 -117 -18 1521 -1758 -399 568 -111 459 -56 -258 30 -321 -406 534 -1002 -178 -163 395 -557 446 -8 -293 -248 476 546 -214 -264 -913 529 403 -27 -41 -219 -68 231 836 -400 27 -1008 714 -761 -575 -986 -1973 -1485 463 -154 200 715 579 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