File name: Pandora55s1_QueensNY_20240304_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T132552.1Z 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_20240304_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: 20240304 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 20240304T145332.4Z 8829.620514 275 1 50.69 2 55.93 138.73 82.34 220.23 0.00 1 0.00 1 0 17 4.427e-02 1.120e-02 7.000e-03 2.328e-03 2.725814e-01 1.200490e-03 3.272051e-03 -6.000000e+00 2.606006e-02 225.73 -2.00 3.51 -2.00 317.07 0.00e+00 6.196134e-04 1.626397e-04 1.200730e-04 -6.000000e+00 1.132609e-03 276.47 -2.00 20.00 -2.00 316.46 0.00e+00 1.779 0.000 302.00 328.00 3 5.3028e+00 3.1391e-03 2.2523e-02 -6.0000e+00 6.4519e-02 5.1508e-02 3.5240e-03 1.3848e-02 -6.0000e+00 7.0081e-02 3.9481e-03 2.1019e-03 6.8517e-03 -6.0000e+00 4.1698e-02 -6.3942e-03 1.0161e-03 2.0257e-03 -6.0000e+00 1.7493e-02 3.1006e-04 -1.5531e-04 7.1446e-05 2.5256e-05 -6.0000e+00 1.3200e-03 2.8509e-03 0.0000e+00 12 8 8 10 0 0 99.94 22.80 0.19 0.00285 0.00168 30 6 1 5 0 1687.850 26.11 20.00 22.80 18.01 36.1 1080.94 -8645 -11576 28187 -14747 1016 7818 -1719 19760 3886 -1213 -9785 -2257 12287 -7080 8508 -1799 -7980 -1077 9082 4529 5888 814 1829 -5580 -1407 -3241 8973 -3993 -2536 -2993 1214 3589 -931 -2331 -1286 7909 -3898 -3363 749 1344 -2843 464 -3480 -1344 -646 2410 -3007 536 548 962 -966 -481 -993 3639 2857 964 2567 1198 2250 973 1127 2838 423 -2579 908 -1602 224 -709 1228 1025 68 641 621 -1374 1243 -843 564 1648 381 -217 -1402 -1671 -1429 -604 -1455 -776 -1642 122 -963 -130 -232 -508 365 1174 800 1070 -379 311 222 -201 -117 -568 -183 1038 533 -465 -44 -747 182 923 624 -687 -194 -476 -730 -98 353 1192 595 -143 -1214 -132 621 892 47 -162 -202 1028 447 -331 645 615 472 474 416 -198 72 144 -372 -693 -258 -447 -235 -37 -1050 -1600 2824 -2130 118 803 -195 2005 505 -175 -1559 -342 1758 -1361 1611 -412 -2055 -271 2175 1167 1532 224 502 -1682 -430 -1048 2643 -1278 -766 -880 349 1078 -313 -827 -450 2476 -1381 -1305 324 661 -1589 268 -2144 -829 -397 1452 -1873 320 323 563 -585 -303 -661 2443 1994 699 1874 889 1645 710 829 2120 340 -2239 792 -1406 185 -564 961 856 61 611 603 -1347 1160 -756 465 1267 291 -174 -1230 -1590 -1447 -636 -1598 -888 -1973 150 -1210 -162 -282 -589 394 1199 812 1128 -431 377 287 -269 -155 -725 -221 1213 637 -585 -58 -1008 252 1314 925 -1059 -300 -724 -1065 -135 469 1568 805 -203 -1793 -197 919 1294 66 -224 -271 1327 580 -447 905 891 700 711 641 -316 119 242 -632 -1187 -436 -741 -379 -58 SS 20240304T145842.2Z 8829.624099 278 1 50.31 2 55.29 140.08 82.95 221.14 0.00 1 0.00 1 0 17 1.038e-02 6.271e-03 1.776e-03 8.014e-04 2.705614e-01 4.158181e-04 3.289299e-03 -6.000000e+00 6.111786e-03 225.73 -2.00 3.51 -2.00 316.37 0.00e+00 1.010084e-05 4.737385e-05 6.134855e-05 -6.000000e+00 2.656045e-04 276.47 -2.00 20.00 -2.00 315.78 0.00e+00 1.751 0.000 302.00 328.00 3 3.4760e+00 1.0765e-03 2.2248e-02 -6.0000e+00 1.5131e-02 3.8355e-02 1.2034e-03 1.3720e-02 -6.0000e+00 1.6435e-02 -6.9331e-03 6.9904e-04 6.8108e-03 -6.0000e+00 9.7792e-03 -7.3393e-04 3.2512e-04 1.9310e-03 -6.0000e+00 4.1029e-03 2.0125e-03 -2.7470e-04 2.4538e-05 2.5834e-05 -6.0000e+00 3.0953e-04 2.2018e-03 0.0000e+00 10 0 0 10 0 0 99.89 22.80 0.12 0.00220 0.00014 83 16 1 5 0 606.020 26.11 20.00 22.80 18.23 36.1 1082.26 -3417 -3624 -640 -5413 -2489 -368 -973 2695 452 -1382 -1596 -403 65 -13 1072 -520 -1788 983 1347 915 576 924 1361 475 629 -29 1104 -825 38 973 896 1841 1199 -1032 -369 1005 217 -156 671 -277 -1395 -772 -1494 -1269 -1123 -292 -1378 -589 -724 431 255 788 708 1105 1003 558 1173 275 885 1025 1369 1309 1145 -47 -528 -397 -6 116 1122 978 152 -113 -488 -537 -596 -249 310 705 1133 16 -105 -545 -1527 -1207 -1188 -1088 -753 -541 -432 -549 -192 233 319 1131 1278 1050 651 822 -288 -426 -504 -470 28 886 62 -688 -260 -716 98 13 -25 -377 -240 -193 -107 443 795 843 597 -67 -533 -320 -101 -55 112 86 421 1327 905 330 567 -54 293 74 216 -416 -87 75 -404 -412 -235 -219 -210 0 -562 -655 -117 -1005 -422 -58 -156 452 85 -280 -330 -84 14 -3 290 -155 -568 316 445 312 201 324 478 173 239 -11 438 -324 14 351 326 703 489 -443 -157 413 91 -71 344 -160 -879 -509 -1015 -872 -773 -200 -945 -396 -481 283 171 546 512 825 772 438 933 221 705 809 1084 1061 974 -42 -487 -362 -6 97 938 860 143 -112 -491 -538 -583 -233 271 585 922 14 -96 -531 -1580 -1295 -1315 -1249 -896 -662 -536 -680 -232 270 350 1182 1322 1125 739 990 -367 -559 -657 -592 33 1038 74 -858 -335 -948 133 18 -35 -559 -358 -283 -151 597 1037 1095 792 -92 -761 -463 -145 -78 155 116 554 1693 1158 436 778 -77 422 108 321 -639 -137 121 -655 -672 -380 -348 -327 1 SS 20240304T150257.2Z 8829.627050 281 1 5.32 2 54.78 141.21 83.47 221.88 0.00 1 0.00 1 0 25 1.990e-02 8.994e-03 9.609e-03 4.402e-03 2.672199e-01 2.284624e-03 3.250874e-03 -6.000000e+00 1.171309e-02 225.73 -2.00 3.51 -2.00 316.30 0.00e+00 1.369693e-04 2.567066e-04 6.964037e-05 -6.000000e+00 5.090703e-04 276.47 -2.00 20.00 -2.00 315.72 0.00e+00 1.729 0.000 302.00 328.00 3 4.2448e+00 5.9077e-03 2.1971e-02 -6.0000e+00 2.8999e-02 4.5542e-02 6.6046e-03 1.3554e-02 -6.0000e+00 3.1499e-02 -4.7653e-03 3.8344e-03 6.7268e-03 -6.0000e+00 1.8742e-02 -2.8899e-03 1.7781e-03 1.9147e-03 -6.0000e+00 7.8625e-03 9.5465e-04 -1.5906e-04 1.3385e-04 2.5670e-05 -6.0000e+00 5.9328e-04 2.8792e-03 0.0000e+00 12 9 1 12 33 1 999.00 22.80 0.15 0.00288 0.00168 2 5 1 5 0 1767.380 26.11 20.00 22.80 18.40 36.1 1083.06 -1409 -7595 10787 -10489 -2394 726 3930 -1803 1241 -3531 -3279 -1337 -2762 314 1523 748 -3167 3390 1408 3542 369 -1036 2581 2270 1196 -1299 1168 -296 1805 1133 3721 -549 1009 -3214 -2053 3299 -2109 -1261 720 -449 -1970 -868 -2782 -665 -1292 812 -407 -1582 -1361 290 -284 752 1137 1364 1810 240 2144 179 2283 318 1442 2168 1639 359 -1406 -62 -264 857 1017 947 -647 -863 -389 -1275 138 -243 893 345 1134 163 -184 -436 -1249 -1598 -1690 -163 -1117 -969 -310 85 -351 1103 48 1545 1501 462 920 396 37 -644 -548 -1104 149 738 258 -1029 -424 -1544 -371 378 216 -372 -117 -385 -215 214 531 1065 864 598 -806 -153 -108 -201 325 526 353 1007 577 608 732 -27 339 388 806 -210 -35 367 -614 -826 -707 -253 12 -273 -233 -1455 1831 -2078 -414 115 616 -321 237 -743 -699 -285 -636 78 419 225 -1037 1090 474 1207 131 -375 915 829 460 -526 469 -118 678 414 1349 -216 419 -1419 -896 1349 -910 -588 374 -262 -1260 -579 -1927 -460 -900 559 -280 -1083 -919 193 -193 526 828 1025 1396 191 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