File name: Pandora75s1_EssexMD_20240623_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240708T142305.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20240623_L1_smca1c1d20221230p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20240623 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: OoB-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 20240623T105242.7Z 8940.453272 207 1 19.39 2 78.26 69.25 91.14 234.55 0.00 1 0.00 1 0 17 3.151e-01 1.283e-02 1.216e-01 3.983e-03 5.704638e-01 2.224149e-03 7.009485e-03 -6.000000e+00 1.952791e-01 232.85 -2.00 3.48 -2.00 320.41 0.00e+00 4.053742e-03 8.480161e-04 3.582412e-03 -6.000000e+00 8.587782e-03 288.46 -2.00 20.00 -2.00 319.74 0.00e+00 4.755 0.002 302.00 328.00 3 2.2278e+00 6.8430e-03 5.8177e-02 -6.0000e+00 4.8991e-01 7.4720e-02 8.5968e-03 3.5921e-02 -6.0000e+00 5.2585e-01 -1.8484e-01 7.4272e-03 1.8185e-02 -6.0000e+00 3.1319e-01 7.3053e-02 3.7213e-03 5.1114e-03 -6.0000e+00 1.3337e-01 2.7413e-04 -4.9786e-04 1.2205e-04 9.3237e-05 -6.0000e+00 9.7150e-03 -3.7180e-02 2.6642e-04 12 9 9 12 1 1 57.67 23.63 0.60 -0.03718 -0.04092 23 10 1 5 0 807.800 26.32 19.99 23.63 36.55 4.1 1071.57 -89166 -32997 -101981 40811 -159212 -30504 -102753 -122721 -137489 -112081 -98957 -60245 -55605 -64555 -37646 -24157 -24393 -26166 20693 -26866 13072 28550 -6898 221 -19964 874 -13178 12541 -21062 -28339 6669 -5541 10702 -10735 9833 3472 -13079 -4218 7129 -11821 929 2235 2466 9270 3062 9785 338 6386 2946 1990 -2471 5612 6150 8530 1592 1557 2576 2829 4793 127 -1894 1042 2194 3553 3362 2749 1293 1694 2235 6263 944 2365 1414 215 -741 405 -3519 -3313 -3047 -3299 -2348 -4750 -1242 -1260 252 -282 1399 877 1109 1247 -748 -694 -1326 -1450 -1679 -1047 240 381 4 -765 -644 -2159 -1023 -1094 -690 -2042 -600 -185 597 600 1694 330 411 -87 -372 -289 -472 214 576 607 628 1168 1418 71 462 -86 313 343 110 50 -95 -907 -142 -599 -100 494 668 618 78 160 -1033 -1087 -1070 -268 -1800 173 -4665 -237 -1705 -2730 -3932 -2691 -2421 -1100 -1166 -1855 -1023 -685 -786 -945 506 -1116 376 710 -252 8 -938 35 -619 448 -1039 -1585 300 -329 615 -821 607 228 -1097 -377 684 -1625 127 325 377 1368 490 1493 58 1051 521 376 -534 1238 1474 2156 457 464 779 855 1398 39 -610 356 753 1326 1313 1065 501 671 957 2910 509 1319 793 116 -374 184 -1555 -1469 -1480 -1866 -1523 -3276 -905 -983 208 -249 1278 830 1048 1137 -653 -567 -1051 -1178 -1504 -1065 255 457 5 -996 -793 -2482 -1093 -1181 -789 -2512 -772 -237 825 914 2587 533 661 -135 -590 -443 -731 344 911 997 1032 1866 2191 114 712 -129 460 527 174 88 -170 -1733 -283 -1271 -211 1089 1512 1421 180 355 -2204 -2220 SS 20240623T110253.0Z 8940.460335 210 1 51.77 2 76.41 70.71 92.68 236.09 0.00 1 0.00 1 0 17 3.541e-01 1.114e-02 2.246e-01 6.427e-03 5.134366e-01 3.681047e-03 6.305926e-03 -6.000000e+00 2.193464e-01 232.85 -2.00 3.48 -2.00 320.84 0.00e+00 4.507131e-03 1.551772e-03 3.324685e-03 -6.000000e+00 9.648882e-03 288.46 -2.00 20.00 -2.00 320.18 0.00e+00 4.153 0.001 302.00 328.00 3 3.2228e+00 1.1968e-02 5.1704e-02 -6.0000e+00 5.5028e-01 6.8957e-02 1.5335e-02 3.2941e-02 -6.0000e+00 5.9076e-01 -1.1029e-01 1.3588e-02 1.7170e-02 -6.0000e+00 3.5185e-01 3.4429e-02 6.6610e-03 5.1134e-03 -6.0000e+00 1.4974e-01 1.8571e-04 -1.0827e-03 2.1198e-04 9.6161e-05 -6.0000e+00 1.0919e-02 -3.5329e-02 1.8399e-04 12 9 8 11 24 0 99.95 23.63 0.74 -0.03533 -0.04347 90 15 1 5 0 575.130 26.32 20.00 23.63 37.00 4.1 1075.42 -114296 129199 -74380 -61615 -99318 28651 -93218 9294 -114539 266822 -99611 -41606 -31806 -6428 -28974 7201 -31960 -2838 63535 -26677 32789 -32838 -3191 -14360 -11728 20017 -23076 28324 5605 19106 -33174 -2724 15399 -3887 -12384 2463 5259 -7921 5126 -9438 6567 -1974 5840 -7101 3120 -3001 5128 6385 -7771 7898 94 2191 1006 3970 947 5125 555 3055 132 1682 4924 384 7192 4035 2565 -2797 3179 -1073 3940 4511 1327 2470 -346 1467 -1538 -916 -6510 -3500 -2054 -1995 -469 -1328 -2144 -2512 -1591 -1015 2014 832 1922 2259 1188 -2440 -1034 -1510 -1775 837 567 738 157 -352 -1445 -946 -762 -880 -1046 -2902 -478 -515 654 404 1562 -48 503 70 -707 531 -783 1157 -313 743 15 692 1012 521 700 -687 665 -173 701 -1254 -91 -586 -799 -751 513 264 303 659 264 0 -753 -316 -1731 810 -971 -708 -1556 180 -1363 58 -2512 1672 -2133 -593 -489 -95 -660 135 -1001 -73 905 -988 691 -1347 -100 -532 -448 582 -1052 758 185 577 -1909 -133 711 -233 -797 136 306 -609 415 -1043 696 -245 705 -1007 407 -424 678 848 -1222 1116 16 391 197 812 210 1130 131 773 34 425 1250 111 2159 1368 915 -1029 1076 -385 1454 1863 621 1198 -172 685 -684 -368 -2578 -1340 -843 -943 -251 -808 -1432 -1796 -1206 -816 1652 711 1626 1839 915 -1818 -726 -1079 -1387 723 561 817 187 -420 -1646 -989 -749 -877 -1110 -3327 -567 -653 885 600 2473 -80 826 111 -1062 758 -1139 1725 -502 1227 24 1123 1588 790 1015 -972 909 -249 1089 -2181 -168 -1153 -1649 -1635 1170 633 747 1647 658 1 -1753 -703 SS 20240623T112146.6Z 8940.473455 216 1 40.31 2 72.93 73.39 95.62 238.89 0.00 1 0.00 1 0 17 8.853e-02 9.156e-03 2.679e-02 2.542e-03 4.251758e-01 1.388862e-03 5.043914e-03 -6.000000e+00 5.482091e-02 232.85 -2.00 3.48 -2.00 319.09 0.00e+00 1.069887e-03 3.415892e-04 1.010767e-03 -6.000000e+00 2.411785e-03 288.46 -2.00 20.00 -2.00 318.30 0.00e+00 3.355 0.001 302.00 328.00 3 3.6295e+00 3.8753e-03 4.0646e-02 -6.0000e+00 1.3753e-01 2.5204e-02 4.4744e-03 2.3118e-02 -6.0000e+00 1.4766e-01 -2.7980e-02 3.2462e-03 1.1079e-02 -6.0000e+00 8.7943e-02 4.4464e-03 1.7007e-03 2.9947e-03 -6.0000e+00 3.7419e-02 2.9403e-04 -1.5692e-03 7.9819e-05 3.8364e-05 -6.0000e+00 2.7299e-03 -3.5653e-02 1.0458e-04 12 9 1 12 9 1 99.86 23.63 0.48 -0.03565 -0.04744 22 5 1 5 0 1752.540 26.32 19.99 23.63 37.55 4.1 1078.84 -7168 -20348 -9785 -7943 -53440 -23627 -15750 -27221 -44194 -24284 -29766 -27712 -15284 2077 -3809 2258 -2436 -5993 4753 -4961 7727 9299 -3014 -2391 -3255 9265 16701 4108 -4948 -4784 1471 -7262 3941 957 -4176 5469 -12646 389 1051 -2512 -1584 104 -1406 2084 956 422 1267 293 1300 -167 364 926 2902 3582 -1277 1330 -166 580 250 100 -604 1748 1378 1763 620 424 -141 320 758 1930 765 1696 1114 395 -250 -188 -2512 -3341 -2554 -2015 -1278 -2427 -1209 -801 -509 -620 1145 1338 956 1422 114 -606 -830 -1315 -1000 643 344 575 163 -236 -1242 -2014 -498 -345 -1062 -1171 -701 -75 204 880 992 701 194 -519 163 276 145 229 271 380 92 723 810 391 497 -244 -87 365 9 -76 -471 -908 -67 -96 -246 -198 564 670 182 41 -403 -894 -156 -585 -272 -215 -2119 -668 -429 -924 -1994 -975 -1321 -1284 -720 98 -228 147 -183 -502 382 -461 653 784 -297 -249 -365 962 1639 445 -565 -554 175 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