File name: Pandora206s1_BuffaloNY_20221002_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T041847.1Z 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_20221002_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: 20221002 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 20221002T130949.0Z 8310.548484 86 1 28.00 2 70.40 115.20 147.41 73.76 0.00 1 0.00 1 0 17 2.391e-01 2.177e-02 2.218e-01 1.532e-02 3.662579e-01 7.588459e-03 4.399528e-03 -6.000000e+00 1.329912e-01 227.08 -2.00 3.55 -2.00 319.06 0.00e+00 7.495075e-04 1.799926e-03 3.737806e-04 -6.000000e+00 5.922823e-03 283.30 -2.00 20.00 -2.00 318.32 0.00e+00 2.948 0.000 302.00 328.00 3 6.7540e+00 2.0978e-02 3.4615e-02 -6.0000e+00 3.2994e-01 1.3689e-01 2.4444e-02 1.9397e-02 -6.0000e+00 3.5946e-01 4.6440e-02 1.8151e-02 9.5120e-03 -6.0000e+00 2.1429e-01 -3.1241e-02 9.6022e-03 2.6943e-03 -6.0000e+00 9.0948e-02 2.0466e-05 -2.3978e-03 4.2909e-04 2.7234e-05 -6.0000e+00 6.1065e-03 6.6299e-03 -2.8044e-04 12 8 8 10 0 0 99.93 17.93 1.38 0.00663 -0.01139 7 7 2 8 0 4000.000 15.00 17.93 16.13 21.48 21.38 12.6 923.71 -10882 72173 165244 -26292 110772 100243 71439 10209 36890 56096 -16806 -21937 16772 5599 -9981 30718 44568 7286 -15107 1033 41299 22443 25830 -20294 -19722 -6147 -1487 35373 10989 6067 -6944 -6098 6255 -2702 15908 -10269 3287 23012 10180 -12146 -5890 -5345 8393 -7824 23569 -213 -8156 -11908 -7731 133 -6835 4845 -1036 5511 4885 -85 2177 -1164 4821 -3174 2884 -356 -2266 820 6864 1519 1484 -2738 3488 -3362 1235 1828 5043 1293 3197 1111 1460 3654 -6136 -5794 -1938 730 -2420 -264 -575 -515 198 908 -2 906 710 -12 4174 -4052 81 -2684 3442 -331 327 -1244 359 -1068 1278 -1131 -91 -2387 -1419 1809 453 676 331 1140 -3066 204 -3298 2084 -497 139 32 -253 569 -398 1720 -1834 1302 -2563 2065 273 4133 -808 71 301 928 -450 123 1171 783 459 -1214 686 -255 -159 -2257 -367 1222 2469 -1092 1655 1498 1138 330 1065 1425 -850 -1247 768 340 -811 1939 2599 636 -1742 106 2985 1936 2253 -2937 -3002 -858 -206 3171 1181 705 -1024 -984 998 -488 2193 -1831 573 3870 2374 -4054 -2018 -1906 2711 -2999 6815 -76 -3126 -4698 -2923 48 -2849 1947 -470 2501 2310 -43 1108 -606 2300 -1627 1445 -200 -1434 545 4271 918 854 -1632 2123 -2519 962 1466 3866 978 2177 710 850 2023 -4060 -4263 -1551 633 -2308 -258 -605 -561 224 1047 -2 1022 735 -11 3663 -3709 77 -2955 4000 -435 449 -1678 457 -1256 1371 -1300 -113 -3161 -1950 2536 661 1066 558 1931 -5210 314 -4812 2810 -694 202 48 -404 903 -622 2638 -2774 1809 -3535 2667 370 5696 -1261 116 510 1546 -794 231 2269 1549 933 -2501 1329 -477 -285 -4029 SS 20221002T133804.8Z 8310.568111 103 1 2.56 2 65.85 121.00 142.65 79.97 0.00 1 0.00 1 0 17 1.466e-02 5.736e-03 1.016e-02 2.432e-03 3.036728e-01 1.196208e-03 3.656737e-03 -6.000000e+00 8.159841e-03 227.08 -2.00 3.55 -2.00 317.86 0.00e+00 4.913442e-04 2.015590e-04 1.034331e-04 -6.000000e+00 3.630821e-04 283.30 -2.00 20.00 -2.00 317.11 0.00e+00 2.427 0.000 302.00 328.00 3 2.2506e+00 3.1939e-03 2.8456e-02 -6.0000e+00 2.0245e-02 1.4495e-02 3.6246e-03 1.5774e-02 -6.0000e+00 2.2049e-02 -6.6839e-03 2.2722e-03 7.7383e-03 -6.0000e+00 1.3145e-02 -4.9127e-04 1.1585e-03 2.1908e-03 -6.0000e+00 5.5834e-03 3.6314e-03 -3.7237e-05 6.6944e-05 2.2391e-05 -6.0000e+00 3.7411e-04 6.5325e-03 -2.6533e-05 12 1 1 12 1 1 99.32 17.92 0.32 0.00653 0.00625 16 214 1 8 0 140.730 15.00 17.92 17.01 21.48 21.38 12.6 928.92 -3968 -998 -3434 -4059 -7687 -4657 -6217 554 -3977 -1464 2649 -2154 -3795 -1494 -916 -57 -161 1543 965 -663 898 -542 1240 -761 -15 -94 318 -1642 -582 -157 1615 -1139 1099 -464 -2673 -1664 -2594 -1178 62 178 -1312 -730 -1011 -495 255 368 -142 -589 -610 54 1403 761 1330 985 1111 961 1192 370 603 423 1022 1367 1607 1829 -201 53 -840 -571 283 603 464 351 340 698 -124 -38 -379 -347 -202 -1009 -981 -1217 -1857 -1433 -1223 -661 -461 -45 197 377 740 188 276 312 323 49 639 601 75 -206 -315 -740 -697 -77 -990 -702 -863 -648 -156 304 555 174 236 7 -188 52 137 245 207 104 -205 179 62 478 783 483 222 1124 229 504 321 122 -231 128 -25 -177 58 166 -366 -353 -10 -417 -457 -304 -81 -293 -321 -577 -334 -491 46 -388 -146 248 -223 -445 -198 -140 -10 -28 279 184 -133 180 -109 254 -170 -4 -23 77 -376 -123 -34 371 -292 304 -133 -714 -440 -776 -392 25 80 -625 -360 -517 -253 129 187 -74 -302 -309 28 736 432 796 606 703 622 786 243 386 270 677 980 1216 1481 -163 39 -613 -410 212 501 419 318 314 614 -105 -29 -270 -248 -150 -838 -887 -1184 -1869 -1503 -1343 -772 -547 -54 239 446 823 199 268 311 338 56 783 777 102 -271 -397 -885 -812 -91 -1263 -907 -1172 -899 -227 463 868 274 365 10 -263 69 183 345 306 159 -316 270 93 683 1088 661 290 1501 326 746 488 192 -370 209 -43 -308 103 301 -665 -618 -17 -711 -766 SS 20221002T134920.4Z 8310.575931 108 1 2.83 2 64.11 123.44 140.73 82.20 0.00 1 0.00 1 0 17 2.571e-02 6.326e-03 1.711e-02 4.618e-03 2.835708e-01 2.273336e-03 3.414965e-03 -6.000000e+00 1.431456e-02 227.08 -2.00 3.55 -2.00 317.69 0.00e+00 5.934372e-04 3.639551e-04 9.688186e-05 -6.000000e+00 6.369627e-04 283.30 -2.00 20.00 -2.00 316.93 0.00e+00 2.276 0.000 302.00 328.00 3 3.6410e+00 6.0482e-03 2.6641e-02 -6.0000e+00 3.5515e-02 1.3976e-02 6.8528e-03 1.4708e-02 -6.0000e+00 3.8681e-02 -5.1230e-03 4.2286e-03 7.2194e-03 -6.0000e+00 2.3060e-02 2.5242e-04 2.1319e-03 2.0634e-03 -6.0000e+00 9.7946e-03 1.0743e-03 -6.5734e-06 1.2759e-04 2.1439e-05 -6.0000e+00 6.5634e-04 6.4712e-03 -4.2740e-05 12 1 1 12 1 1 99.87 17.92 0.31 0.00647 0.00642 5 68 1 8 0 444.240 15.00 17.92 17.13 21.48 21.38 12.7 930.59 -6705 7769 -3934 430 -7260 -6241 -21540 4593 1327 -3237 1153 -6435 1458 -1050 3334 -1582 2802 -408 2829 2198 1263 549 1049 2202 -195 -28 -582 363 -4095 2461 840 1908 33 -490 -2328 -1493 -3072 -2815 907 -154 -205 -1461 -942 -679 -11 -990 201 -1045 31 -636 557 152 941 2193 441 1397 472 1554 -96 1061 742 1212 1567 1326 84 -69 -704 -112 963 31 701 -139 286 143 604 -279 -424 -1344 -674 -776 -313 -390 -1729 -1315 -1444 -549 -352 -88 138 573 66 110 -432 1047 -251 323 422 642 384 -405 -597 -885 -452 -218 -62 -715 -104 -891 296 178 868 343 -270 309 123 261 -228 85 -4 -69 -230 62 -80 817 320 575 265 474 370 422 157 -264 -444 -261 369 -392 345 72 83 22 -229 -231 -636 -614 670 -390 39 -628 -526 -2285 422 141 -376 125 -787 190 -154 541 -297 522 -82 575 467 274 118 233 516 -49 -7 -152 87 -956 572 205 498 10 -147 -646 -411 -961 -1028 369 -74 -102 -763 -506 -365 -6 -534 105 -565 17 -342 305 90 581 1417 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