File name: Pandora206s1_BuffaloNY_20230716_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T054716.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Kang Sun 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_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20230716_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: 20230716 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 20230716T120735.1Z 8597.505267 99 1 28.00 2 67.35 81.35 53.53 84.76 0.00 1 0.00 1 0 17 3.532e-01 3.016e-02 2.363e-01 2.081e-02 3.316109e-01 1.076529e-02 4.093397e-03 -6.000000e+00 2.047679e-01 232.96 -2.00 3.55 -2.00 319.05 0.00e+00 3.691913e-04 2.577470e-03 1.415739e-03 -6.000000e+00 9.995810e-03 287.34 -2.00 20.00 -2.00 318.24 0.00e+00 2.576 0.000 302.00 328.00 3 7.5108e+00 3.0298e-02 3.1599e-02 -6.0000e+00 5.1430e-01 3.2544e-02 3.5241e-02 2.0124e-02 -6.0000e+00 5.5706e-01 9.7804e-02 2.6065e-02 8.8996e-03 -6.0000e+00 3.2881e-01 -4.8923e-02 1.3703e-02 2.6139e-03 -6.0000e+00 1.4040e-01 1.4552e-05 -1.1185e-03 6.0644e-04 2.4067e-05 -6.0000e+00 9.4528e-03 -2.1929e-02 2.5237e-04 12 8 8 10 0 0 4.40 18.61 3.23 -0.02193 -0.03033 7 7 2 8 0 4000.000 14.99 18.61 28.60 21.98 21.98 18.1 1026.92 -1818 900000 47972 900000 900000 900000 -7202 900000 165142 243500 24247 900000 -10325 50303 -49617 105636 156286 25886 57978 -12467 66664 -37014 34820 116984 23722 -29142 13201 5269 26032 -1083 14140 -3885 27139 39083 -869 3718 5791 18804 -7459 4579 -5876 7211 3631 3201 -4628 822 -7900 -22141 3532 -83 13355 994 -3051 -1727 6559 4734 3303 3711 2541 -6832 -10969 8837 -4083 6405 -3015 4845 -3797 3117 -496 203 939 902 -3884 6031 6245 2029 -7338 2231 3999 -6090 -2527 1918 -421 -3829 3093 -2033 2520 195 -1271 734 2179 -2006 2713 -1914 589 -1271 222 761 2985 2678 3010 351 -1116 -350 1743 -3316 1190 -272 -646 -2721 -328 -1909 -3195 -1528 -271 -1049 -1965 -3410 3090 785 3 1192 51 3958 3447 210 -3742 394 7618 -854 2720 177 -258 -1626 -1738 -1140 1372 1348 1961 476 436 -2753 -1814 -53 900000 1033 900000 900000 900000 -237 900000 3347 4936 829 900000 -589 1848 -5638 3108 3168 1853 3195 -1417 3674 -5548 2691 4437 2359 -5030 1581 651 2424 -131 1603 -581 3301 4531 -141 551 924 3061 -1918 1256 -1938 2197 1196 1080 -1686 286 -2979 -9479 1199 -29 4424 406 -1340 -800 3016 2267 1651 1852 1254 -3657 -6274 4467 -2500 3968 -2032 2885 -2302 1724 -299 140 691 697 -3161 4413 4248 1289 -4620 1210 2224 -4278 -1943 1576 -382 -3748 3027 -2186 2727 223 -1491 815 2268 -1992 2360 -1678 534 -1310 252 935 3859 3423 3711 408 -1214 -385 2061 -4349 1557 -369 -925 -4269 -538 -3255 -5351 -2357 -391 -1422 -2673 -4902 4457 1238 4 1869 79 5647 4669 281 -4925 513 10002 -1275 4161 287 -430 -2846 -3153 -2168 2603 2617 3823 911 826 -5171 -3273 SS 20230716T124258.3Z 8597.529841 113 1 28.01 2 60.92 87.08 47.24 90.37 0.00 1 0.00 1 0 17 4.947e-02 1.177e-02 3.308e-02 7.067e-03 2.869226e-01 3.562558e-03 3.387206e-03 -6.000000e+00 2.826730e-02 232.96 -2.00 3.55 -2.00 317.97 0.00e+00 7.980877e-05 6.117965e-04 1.099921e-04 -6.000000e+00 1.248044e-03 287.34 -2.00 20.00 -2.00 317.13 0.00e+00 2.048 0.000 302.00 328.00 3 6.6581e+00 9.6413e-03 2.5336e-02 -6.0000e+00 7.1051e-02 4.3998e-02 1.0921e-02 1.5223e-02 -6.0000e+00 7.6861e-02 2.9622e-02 6.8645e-03 7.3434e-03 -6.0000e+00 4.5709e-02 -2.1806e-02 3.4877e-03 1.9986e-03 -6.0000e+00 1.9345e-02 6.1987e-05 -5.3765e-04 1.9693e-04 1.9993e-05 -6.0000e+00 1.2622e-03 -2.1427e-02 1.4773e-04 12 9 9 12 1 1 99.98 18.61 1.17 -0.02143 -0.02547 6 7 2 8 0 4000.000 15.00 18.61 29.45 21.98 21.98 18.0 1031.51 -21527 14017 2667 9218 -16098 25122 -9273 10976 -10580 2826 -4520 2802 -3063 5845 -4537 1365 16323 -2191 -991 -3779 8574 -11253 6412 763 16597 -9942 65 -3654 -2391 -583 1477 1797 1871 8020 -2210 -1320 -7676 -1694 -1956 -429 -1724 -1193 2923 -1772 1177 -1694 779 -2755 3162 -3105 3617 1910 179 189 2709 1443 623 944 959 -2076 562 2489 -191 2266 -52 499 -6089 290 -348 876 -415 160 1602 2089 2150 184 -2590 -1816 1562 -2340 -393 -271 -1182 -2775 -305 -848 588 -189 16 1683 334 646 734 -125 -167 296 -141 617 451 323 578 -1347 -879 -777 84 -1867 -92 -80 10 -318 831 -1 -487 -401 -282 -739 -1034 -755 1458 352 -881 803 819 827 737 431 -245 70 287 -243 247 -174 382 48 670 -658 993 354 732 -193 25 -1541 -894 -1753 921 205 633 -1245 1262 -679 738 -998 251 -427 249 -328 662 -658 210 2268 -382 -179 -732 1509 -2382 1163 157 3074 -2514 15 -829 -493 -116 310 406 463 1973 -557 -317 -2159 -519 -728 -182 -816 -586 1428 -919 589 -876 387 -1383 1472 -1539 1780 1033 104 113 1645 903 403 608 620 -1369 370 1681 -144 1805 -42 373 -4523 202 -250 713 -367 147 1454 1816 1790 140 -1877 -1232 1068 -1835 -341 -254 -1195 -2885 -332 -999 699 -235 20 2040 378 684 730 -120 -166 325 -168 794 621 436 730 -1638 -1017 -899 106 -2456 -124 -114 15 -493 1318 -2 -768 -604 -398 -1007 -1409 -1041 2113 537 -1390 1224 1220 1210 1018 587 -317 91 399 -354 379 -270 597 79 1126 -1181 1791 642 1334 -354 45 -2647 -1522 SS 20230716T134609.4Z 8597.573720 147 1 28.01 2 49.40 98.27 36.06 102.24 0.00 1 0.00 1 0 17 6.027e-02 1.877e-02 4.842e-02 1.348e-02 2.315182e-01 6.781392e-03 2.760882e-03 -6.000000e+00 3.442786e-02 232.96 -2.00 3.55 -2.00 317.45 0.00e+00 -1.923848e-04 1.007078e-03 1.369162e-04 -6.000000e+00 1.520343e-03 287.34 -2.00 20.00 -2.00 316.60 0.00e+00 1.534 0.000 302.00 328.00 3 8.0886e+00 1.8176e-02 1.9553e-02 -6.0000e+00 8.6535e-02 4.8284e-02 2.0489e-02 1.2257e-02 -6.0000e+00 9.3616e-02 4.5084e-02 1.2342e-02 5.9355e-03 -6.0000e+00 5.5672e-02 -2.9292e-02 6.0640e-03 1.6180e-03 -6.0000e+00 2.3560e-02 2.6416e-05 -4.2193e-04 3.7654e-04 1.6996e-05 -6.0000e+00 1.5377e-03 -2.1850e-02 9.1762e-05 12 8 8 10 0 0 41.73 18.61 2.13 -0.02185 -0.02502 7 7 2 8 0 4000.000 15.00 18.61 29.43 21.98 21.98 18.1 1031.33 -8742 21676 4239 -9519 19862 40719 25482 7952 -102 5109 -5309 -36 -12705 4817 -10724 8855 12498 0 -107 -663 9028 -7207 -3567 672 7436 -6148 558 -4942 1603 -3890 1995 -270 6195 7859 -1964 -4206 -2435 -3521 2092 6026 -1547 1149 -1558 324 -1464 218 -4956 -11320 -1136 736 855 3307 -4060 4537 2876 3606 135 1454 19 -5789 -2035 327 1144 1885 2074 605 -350 -430 1771 58 -134 909 1609 2726 1335 316 -2382 552 -351 -208 -3618 3051 -2794 -2674 -414 -647 2955 971 -564 274 1029 1660 1037 -2604 -992 -999 2408 901 1372 -115 1038 -2067 -2801 -2373 -106 133 610 721 -1015 406 840 -632 -2137 -380 267 1083 -2946 -2107 -1460 -191 649 509 868 974 3053 -911 -514 480 1658 64 1493 -710 461 -1320 -371 784 -960 3402 933 1154 -248 -1621 -2619 -977 1967 474 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