File name: Pandora177s1_WestportCT_20231121_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20231122T050309.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20231121_L1_smca1c3d20221101p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20231121 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20231121T132512.7Z 8725.559175 96 1 48.89 2 75.81 133.43 143.52 38.01 0.00 1 0.00 1 0 25 1.582e-01 1.008e-02 1.133e-01 4.073e-03 4.839417e-01 2.194890e-03 6.166228e-03 -6.000000e+00 9.409883e-02 223.11 -2.00 3.51 -2.00 320.51 0.00e+00 5.371168e-03 8.418215e-04 3.501713e-03 -6.000000e+00 4.155097e-03 279.70 -2.00 20.00 -2.00 319.96 0.00e+00 3.990 0.001 302.00 328.00 3 2.9627e+00 6.6808e-03 4.8464e-02 -6.0000e+00 2.3140e-01 1.4342e-02 8.3941e-03 2.9703e-02 -6.0000e+00 2.5096e-01 -2.1385e-02 7.7634e-03 1.8507e-02 -6.0000e+00 1.4977e-01 -6.3258e-04 3.9068e-03 7.4505e-03 -6.0000e+00 6.4304e-02 2.9855e-04 -2.0708e-04 1.3140e-04 1.1849e-04 -6.0000e+00 4.8120e-03 6.4586e-02 -2.1800e-04 12 8 8 10 0 0 91.96 23.11 0.41 0.06459 0.06303 50 12 1 5 0 977.700 26.51 19.98 23.11 3.91 21.5 877.72 -84509 -64671 -4153 -25527 -88408 -59936 -54048 -23274 -19502 89 -28611 -51323 -16185 -22924 -9419 -21209 -941 7179 -5130 -9936 -10648 1521 -8121 9796 -1010 -10444 -13085 3865 -6060 -11470 15470 -4478 -3823 -6539 -7258 -5355 -9637 1674 -2839 -3923 -2229 -790 -2993 2396 -1569 -1479 -255 4313 4115 339 7096 578 2377 2115 467 2240 -1965 -2265 -941 1694 2765 5640 4034 3922 926 809 1728 -930 5097 1713 890 -315 182 -1176 -1255 -1742 -2423 -2472 -2730 -1399 -2553 -1746 -3426 -747 484 9 1883 1589 1403 -146 1248 -1327 -663 -774 -424 772 534 1591 -175 -723 -1850 -979 -170 -1144 -1623 -1317 -1106 -1101 1524 1065 1168 -706 -159 -516 -123 117 901 785 241 255 654 876 1215 487 757 -698 -305 482 -693 -1082 -1504 -1038 -154 75 21 216 481 972 313 106 -318 -929 900000 -1300 -915 -33 -241 -1470 -744 -684 -243 -213 1 -383 -994 -273 -518 -224 -653 -26 213 -172 -389 -428 55 -333 358 -44 -509 -651 161 -282 -610 725 -296 -276 -497 -546 -404 -852 158 -334 -535 -329 -122 -494 384 -268 -257 -44 734 727 66 1411 135 587 554 129 629 -582 -667 -270 480 823 1802 1453 1517 373 316 653 -376 2155 837 471 -173 97 -601 -589 -750 -998 -1049 -1296 -758 -1595 -1199 -2576 -582 396 8 1694 1457 1269 -129 1011 -1028 -494 -601 -364 744 583 1895 -222 -905 -2165 -1044 -174 -1224 -1859 -1594 -1409 -1497 2198 1683 1836 -1152 -251 -829 -186 171 1332 1222 398 434 1106 1436 1918 748 1114 -1000 -432 712 -1142 -1961 -2730 -1957 -301 155 46 492 1118 2265 727 239 -685 -1930 900000 SS 20231121T134820.5Z 8725.575238 109 1 48.26 2 72.77 138.12 140.66 45.56 0.00 1 0.00 1 0 25 2.902e-01 1.210e-02 2.044e-01 8.089e-03 4.145874e-01 4.207004e-03 4.994571e-03 -6.000000e+00 1.695814e-01 223.11 -2.00 3.51 -2.00 320.06 0.00e+00 2.614280e-03 1.384945e-03 2.168876e-03 -6.000000e+00 7.568668e-03 279.70 -2.00 20.00 -2.00 319.42 0.00e+00 3.327 0.001 302.00 328.00 3 4.4847e+00 1.2283e-02 3.9742e-02 -6.0000e+00 4.1678e-01 2.8601e-02 1.4785e-02 2.2846e-02 -6.0000e+00 4.5472e-01 1.5632e-02 1.2184e-02 1.2741e-02 -6.0000e+00 2.7153e-01 -2.2182e-02 6.2320e-03 4.5314e-03 -6.0000e+00 1.1338e-01 1.3271e-04 1.4035e-03 2.6610e-04 6.5621e-05 -6.0000e+00 8.7989e-03 6.1944e-02 2.9006e-07 12 8 8 10 0 0 99.91 23.10 0.70 0.06194 0.07249 29 7 1 5 0 1663.750 26.51 20.02 23.10 5.06 21.5 885.46 -43518 -60611 32729 66172 90779 260790 108547 -17776 -52579 -28285 -76641 -26441 -51649 -100 11866 -8352 -11851 12316 -3918 1095 -20837 8000 303 7925 1558 -8958 13127 -9429 -1729 -11492 10664 -312 6782 -3998 4032 -6821 -9201 -186 4346 -1659 1915 7596 3503 -1120 2839 -3551 1206 -702 -3630 -1933 1254 2756 1162 3833 2342 1365 -3532 774 526 5148 -4380 7035 4012 2827 3491 -1847 -1435 -4005 5030 1117 625 1329 1601 -400 -2614 953 -4222 653 -1830 74 -2372 -1466 -1621 -3742 13 -612 958 746 652 599 -613 518 -359 1092 -1159 -809 -217 1986 763 -567 -1917 -935 185 -639 -1101 -1582 -1449 -1122 1588 975 1305 257 265 202 -1586 61 -137 861 521 263 927 857 1592 -713 188 -1162 -119 839 -263 -695 -139 -890 -698 467 -462 -378 196 762 789 340 -42 -1338 45 -901 -1644 355 522 716 2057 856 -351 -1607 -711 -3287 -769 -2317 -3 404 -391 -625 547 -216 60 -1449 422 18 465 104 -680 842 -693 -125 -901 802 -30 653 -435 397 -764 -1186 -26 697 -323 394 1562 776 -264 653 -878 285 -171 -928 -510 347 817 376 1272 820 497 -1365 284 191 1803 -1781 2793 1800 1360 1669 -890 -665 -1967 2495 642 387 837 986 -238 -1459 467 -2050 307 -971 44 -1637 -1103 -1310 -3281 12 -589 950 753 647 568 -548 424 -284 877 -1045 -818 -244 2391 969 -713 -2258 -1007 192 -694 -1280 -1956 -1882 -1540 2289 1526 2143 430 430 308 -2316 86 -195 1270 815 426 1494 1348 2401 -1061 266 -1592 -159 1160 -401 -1156 -242 -1624 -1325 925 -976 -831 438 1709 1755 737 -88 -2710 90 SS 20231121T135333.3Z 8725.578858 112 1 48.46 2 72.12 139.21 139.96 47.14 0.00 1 0.00 1 0 25 6.174e-02 9.171e-03 3.596e-02 2.660e-03 3.943335e-01 1.376426e-03 4.766592e-03 -6.000000e+00 3.607429e-02 223.11 -2.00 3.51 -2.00 319.72 0.00e+00 3.163505e-03 4.106162e-04 1.813036e-03 -6.000000e+00 1.610435e-03 279.70 -2.00 20.00 -2.00 319.06 0.00e+00 3.214 0.001 302.00 328.00 3 3.2677e+00 3.9241e-03 3.7956e-02 -6.0000e+00 8.8659e-02 1.0206e-02 4.6433e-03 2.0936e-02 -6.0000e+00 9.6736e-02 5.3742e-03 3.6522e-03 1.1728e-02 -6.0000e+00 5.7763e-02 -1.3133e-02 1.8870e-03 4.3855e-03 -6.0000e+00 2.4116e-02 5.1879e-04 6.4678e-04 8.6474e-05 5.6809e-05 -6.0000e+00 1.8722e-03 6.1934e-02 -4.7271e-05 11 8 0 10 0 0 99.77 23.10 0.51 0.06193 0.06679 50 12 1 5 0 969.140 26.51 20.01 23.10 5.34 21.6 887.51 -25854 -15048 -17713 -11753 -3573 -24361 -8361 7080 -14300 -21378 -25678 -31724 -9543 -13705 2435 1904 5384 3758 2360 -1831 2557 -6294 -3752 2776 5069 -2172 -2573 780 -5317 -3645 -5801 117 667 -4834 -4265 -5394 -1905 -3617 -2044 -1736 -2874 -669 430 111 1780 2429 1310 -933 -1134 1004 1214 1419 2165 1852 2051 786 -140 -2310 -847 127 1264 2277 2865 2890 329 -314 -387 -208 3187 1551 1086 1388 238 641 -365 -1956 -2601 -3370 -1798 -2074 -1937 -2381 -2370 -368 145 459 1573 1217 935 922 453 -514 -957 59 -277 -124 980 578 -490 -934 -1228 -1467 -116 191 -2016 -2024 -1076 -811 946 1131 1134 610 122 -499 -301 -96 525 551 668 142 515 569 1261 546 672 -754 -539 829 -378 -443 -890 -1053 -101 265 -74 -270 299 632 564 -105 -22 -973 -23 -567 -326 -401 -262 -69 -569 -180 147 -401 -671 -879 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