File name: Pandora64s1_NewHavenCT_20230701_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20230705T215308.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20230701_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20230701 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20230701T105730.5Z 8582.456603 161 1 47.60 2 74.63 72.53 130.04 268.86 0.00 1 0.00 1 0 25 1.858e-01 1.054e-02 4.279e-02 3.152e-03 5.144537e-01 1.738679e-03 6.093761e-03 -6.000000e+00 1.145237e-01 232.95 -2.00 3.52 -2.00 319.79 0.00e+00 1.276141e-03 5.358512e-04 1.382304e-03 -6.000000e+00 5.064742e-03 287.98 -2.00 20.00 -2.00 319.05 0.00e+00 3.701 0.001 302.00 328.00 3 3.9000e+00 5.0585e-03 4.6619e-02 -6.0000e+00 2.8755e-01 8.9148e-02 6.0303e-03 2.8475e-02 -6.0000e+00 3.0935e-01 -7.3867e-02 4.7110e-03 1.3792e-02 -6.0000e+00 1.8406e-01 2.4442e-02 2.4183e-03 3.7350e-03 -6.0000e+00 7.7868e-02 1.4008e-04 -7.8034e-04 9.6015e-05 4.8788e-05 -6.0000e+00 5.5320e-03 -6.6687e-03 9.9647e-06 12 9 8 11 8 0 -12.31 21.85 0.14 -0.00667 -0.01253 22 5 1 5 0 2163.270 26.21 20.01 21.85 27.08 38.1 1043.64 -80184 -52290 -51169 -65977 -80400 -52374 -60494 -76516 -31642 -30831 -57558 -31813 -41372 -45899 -8742 -12257 -8932 1448 -14186 -1726 2589 2929 16054 2506 -11852 2980 -8495 -478 -13209 -3221 -6698 227 1697 843 -6419 -3946 -2702 21 -1541 -687 2231 345 1554 -768 2265 2779 3635 -938 274 -6815 3568 7959 3411 859 3504 -66 4295 -1052 1164 672 724 2334 3284 3552 3481 -482 1615 519 894 1581 1599 1406 -365 344 -385 -1174 1373 -1759 -1818 -784 -2286 -1328 -2050 -2484 -913 -927 292 166 527 571 -81 1073 -1594 -231 -90 951 -780 679 302 -754 -1218 -1352 -2662 -387 45 -1843 -601 597 -399 157 984 764 228 345 2 -588 809 -256 574 447 -164 45 631 714 1365 656 -605 689 883 132 146 -596 -175 -147 444 130 -323 23 301 -421 -389 -823 -2095 -1134 -1145 -1600 -2114 -1073 -1477 -2482 -729 -753 -1916 -945 -1653 -2205 -366 -605 -462 74 -844 -95 147 168 861 157 -909 205 -654 -33 -1023 -245 -608 21 178 91 -711 -451 -346 3 -266 -136 468 78 361 -184 535 662 865 -239 71 -2023 1055 2456 1129 313 1291 -26 1657 -423 450 263 299 1044 1604 1786 1747 -241 792 265 510 1008 1039 938 -241 223 -230 -643 736 -951 -1107 -522 -1749 -1078 -1789 -2308 -899 -926 301 173 542 557 -77 951 -1403 -210 -91 1033 -931 855 396 -967 -1525 -1553 -3097 -445 56 -2397 -792 826 -584 240 1595 1257 368 547 3 -864 1201 -401 912 730 -266 71 991 1070 2033 949 -867 1003 1416 224 255 -1097 -325 -289 893 272 -667 47 637 -859 -785 -1597 SS 20230701T110750.2Z 8582.463775 164 1 48.11 2 72.77 74.07 131.89 270.46 0.00 1 0.00 1 0 25 1.211e-01 9.618e-03 2.362e-02 1.900e-03 4.679963e-01 1.039593e-03 5.502898e-03 -6.000000e+00 7.468703e-02 232.95 -2.00 3.52 -2.00 319.29 0.00e+00 2.002883e-03 2.749041e-04 5.688631e-04 -6.000000e+00 3.302597e-03 287.98 -2.00 20.00 -2.00 318.52 0.00e+00 3.326 0.001 302.00 328.00 3 3.4622e+00 2.9360e-03 4.1838e-02 -6.0000e+00 1.8752e-01 4.4614e-02 3.4246e-03 2.5066e-02 -6.0000e+00 2.0172e-01 -2.5531e-02 2.5542e-03 1.2390e-02 -6.0000e+00 1.2002e-01 4.9520e-03 1.3291e-03 3.8029e-03 -6.0000e+00 5.0796e-02 3.3075e-04 -6.6035e-04 5.8026e-05 4.4409e-05 -6.0000e+00 3.6058e-03 -8.7293e-03 2.1039e-05 12 8 8 10 0 0 28.88 21.84 0.09 -0.00873 -0.01369 43 10 1 5 0 1118.640 26.21 20.00 21.84 27.49 38.0 1046.09 -14980 -6499 -16137 -17649 -121052 -16810 -25554 -38335 -13123 -13850 -20759 -4909 -20168 -5356 -8118 5600 -6969 8603 -2085 4776 -39 10930 3551 5359 1396 3917 -5774 -2499 -4376 1732 873 2090 3263 2818 -2656 -4435 -1969 -432 1030 190 491 34 942 -55 151 940 1666 252 432 -2807 1970 2960 1602 1859 970 456 534 -315 272 362 283 1251 2220 2651 2038 -1664 211 -891 940 1602 808 647 -325 209 -201 -1100 142 -2688 -887 -540 -1689 -1167 -1908 -2253 -445 -604 -37 461 978 843 390 615 -901 -11 438 740 -443 853 610 -147 -334 -1524 -2379 -86 55 -1354 -372 -259 -314 570 715 421 232 96 -206 -251 553 -108 623 564 -472 -156 579 410 1006 819 -1139 385 765 400 270 -328 -574 -289 473 -116 -590 256 283 -389 3 -490 -305 -133 -380 -395 -6653 -386 -649 -1248 -368 -416 -692 -160 -929 -257 -476 325 -461 568 -151 340 -3 749 278 443 127 360 -583 -235 -417 167 97 255 440 388 -369 -661 -324 -83 220 47 132 10 278 -17 46 289 510 80 140 -991 686 1109 652 808 440 215 256 -151 127 171 141 642 1238 1583 1217 -981 121 -531 614 1107 600 493 -244 148 -138 -693 84 -1668 -604 -399 -1425 -1037 -1820 -2175 -454 -653 -40 499 1041 893 386 599 -854 -11 449 813 -551 1110 826 -193 -414 -1834 -2780 -104 67 -1760 -509 -359 -470 882 1129 673 374 147 -311 -367 820 -161 983 918 -770 -246 883 622 1461 1148 -1588 561 1168 664 459 -584 -1026 -544 906 -232 -1162 508 556 -763 5 -921 SS 20230701T111436.9Z 8582.468483 168 1 48.24 2 71.54 75.08 133.11 271.54 0.00 1 0.00 1 0 33 7.286e-02 7.754e-03 1.404e-02 1.395e-03 4.398875e-01 7.618284e-04 5.180181e-03 -6.000000e+00 4.492881e-02 232.95 -2.00 3.52 -2.00 318.99 0.00e+00 9.541383e-04 1.827397e-04 4.676376e-04 -6.000000e+00 1.986753e-03 287.98 -2.00 20.00 -2.00 318.20 0.00e+00 3.118 0.001 302.00 328.00 3 3.1522e+00 2.1195e-03 3.9238e-02 -6.0000e+00 1.1281e-01 2.8205e-02 2.4430e-03 2.3514e-02 -6.0000e+00 1.2135e-01 -1.2305e-02 1.7464e-03 1.1458e-02 -6.0000e+00 7.2202e-02 -5.7265e-04 9.1040e-04 3.2019e-03 -6.0000e+00 3.0556e-02 5.7525e-04 -6.5230e-04 4.2758e-05 3.7180e-05 -6.0000e+00 2.1695e-03 -9.1203e-03 -1.5891e-05 11 8 0 10 0 0 10.78 21.86 0.18 -0.00912 -0.01402 67 16 1 5 0 719.910 26.21 20.00 21.86 28.00 38.3 1049.03 -6850 -12816 1039 -14895 -72928 -15723 -13690 -16121 -4927 -8100 -13425 -8098 -10812 -7592 -1072 -779 -1659 1458 -2923 2880 -2018 2295 2333 2743 -2443 3784 -2926 -897 -4658 955 -595 1178 1263 1023 -4479 -2242 -2308 -1091 -1144 857 -728 -196 -303 636 -452 1327 22 795 -826 -1189 858 2002 1208 1560 345 310 960 372 435 135 270 1098 1817 2420 1215 -850 9 -961 620 1469 1140 356 -27 187 150 -1323 -245 -2335 -654 -196 -1195 -855 -1753 -1989 -270 -693 226 221 820 652 188 510 -384 -428 936 399 -67 840 733 -721 -419 -1593 -1785 27 340 -1632 -345 -523 -400 140 798 256 240 189 -36 -133 530 -134 611 421 -223 -222 654 274 953 1050 -990 531 878 110 428 -442 -653 -333 363 -89 -552 319 201 -239 22 -603 -175 -377 28 -433 -3544 -443 -415 -566 -172 -309 -558 -362 -595 -483 -75 -56 -130 120 -263 258 -193 212 229 288 -286 432 -355 -102 -543 112 -80 172 206 169 -746 -385 -449 -249 -290 246 -230 -65 -104 219 -159 463 8 282 -304 -463 358 832 541 745 172 160 501 194 222 70 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