File name: Pandora177s1_WestportCT_20230912_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T141914.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20230912_L1_smca1c5d20230401p1-8.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: 20230912 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: 218 359 Nominal wavelengths inside fitting window [nm]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 20230912T142339.6Z 8655.599763 246 1 4.71 2 49.37 128.56 25.65 150.80 0.00 1 0.00 1 0 17 1.616e-02 1.253e-02 8.113e-04 5.024e-04 1.942963e-01 2.685773e-04 2.350680e-03 -6.000000e+00 9.717865e-03 229.50 -2.00 3.51 -2.00 315.39 0.00e+00 8.275471e-04 2.523347e-05 1.622821e-04 -6.000000e+00 4.336176e-04 288.04 -2.00 20.00 -2.00 314.69 0.00e+00 1.533 0.000 302.00 328.00 3 7.5111e-01 6.9180e-04 1.8292e-02 -6.0000e+00 2.4192e-02 2.9958e-02 7.6585e-04 9.9416e-03 -6.0000e+00 2.6084e-02 -5.3068e-03 4.3950e-04 4.8176e-03 -6.0000e+00 1.5566e-02 -4.7145e-03 1.9829e-04 1.3509e-03 -6.0000e+00 6.6810e-03 4.3705e-02 -1.2061e-04 1.5202e-05 1.8514e-05 -6.0000e+00 4.7573e-04 -3.1752e-03 0.0000e+00 12 9 9 12 1 1 99.00 22.96 0.36 -0.00318 -0.00408 125 300 1 5 0 37.270 26.32 20.01 22.96 28.30 22.3 1035.18 2275 1303 63 -2993 -3593 -2746 -450 690 -393 -3633 -4767 -3231 -957 273 1005 358 127 1764 1590 2413 1019 1040 1647 2204 1985 1101 -93 -874 -627 -621 1408 1468 998 -3285 -5655 -4886 -3758 -1168 -247 -558 -645 -100 222 261 978 492 -238 -593 -1008 -249 938 897 1116 905 471 1247 515 -117 -331 209 1211 2310 2798 2320 247 -1335 -1577 -1048 1697 1347 1022 1566 1305 1440 65 -1417 -2680 -3341 -2124 -2233 -2499 -2465 -2862 -1602 -355 272 1305 1275 1708 1457 643 -757 -1594 -610 -619 -308 611 1410 647 -378 -1479 -2178 -1059 -625 -1530 -1890 -921 -901 777 1450 1569 1161 822 116 -321 -343 40 161 932 637 684 705 1142 759 955 -510 -717 427 79 -132 -811 -1147 -430 53 311 152 575 722 408 -124 -667 -1725 605 371 18 -811 -968 -705 -120 186 -116 -1131 -1487 -1025 -327 104 391 149 55 769 715 1106 478 486 776 1079 1021 538 -48 -429 -290 -281 651 728 522 -1650 -2988 -2557 -1988 -710 -163 -392 -487 -78 176 208 771 385 -183 -442 -736 -182 708 719 882 741 396 1059 444 -101 -281 178 1064 2033 2617 2251 237 -1200 -1390 -912 1556 1299 1007 1580 1308 1458 62 -1303 -2272 -2932 -1831 -2146 -2523 -2555 -3154 -1747 -409 316 1580 1574 2075 1781 732 -832 -1720 -644 -657 -357 733 1730 830 -476 -1839 -2539 -1204 -743 -1871 -2452 -1235 -1199 1069 1997 2224 1635 1153 159 -405 -435 51 206 1265 874 957 972 1517 1016 1215 -654 -889 532 100 -176 -1130 -1557 -593 76 449 229 888 1131 641 -192 -1002 -2538 SS 20230912T144339.7Z 8655.613654 259 1 11.62 2 46.54 134.10 24.20 161.37 0.00 1 0.00 1 0 17 1.592e-02 1.232e-02 1.182e-03 7.083e-04 1.858503e-01 3.775990e-04 2.257389e-03 -6.000000e+00 9.573788e-03 229.50 -2.00 3.51 -2.00 315.52 0.00e+00 8.198857e-04 3.637302e-05 1.832420e-04 -6.000000e+00 4.271303e-04 288.04 -2.00 20.00 -2.00 314.80 0.00e+00 1.452 0.000 302.00 328.00 3 2.3144e+00 9.7374e-04 1.7381e-02 -6.0000e+00 2.3834e-02 4.9042e-02 1.0777e-03 9.5104e-03 -6.0000e+00 2.5696e-02 -6.5498e-03 6.2013e-04 4.6144e-03 -6.0000e+00 1.5335e-02 -5.2851e-03 2.8140e-04 1.2916e-03 -6.0000e+00 6.5827e-03 1.0009e-02 -5.2920e-05 2.1433e-05 1.7704e-05 -6.0000e+00 4.6861e-04 -4.0395e-03 0.0000e+00 12 9 9 12 1 1 99.85 22.96 0.35 -0.00404 -0.00444 77 75 1 5 0 148.900 26.32 19.96 22.96 30.62 22.3 1049.74 2658 1084 902 -2799 -3447 -2305 -884 888 -522 -3355 -4893 -2612 -927 179 832 360 337 1447 1563 2229 1086 710 1644 1861 1920 1204 -319 -1077 -531 -413 1370 1543 782 -3358 -5693 -4594 -4072 -1434 -170 -648 -442 -180 282 202 817 447 -326 -480 -1250 -126 897 1015 1135 938 548 1365 668 -215 -246 154 1124 2125 2796 2236 143 -1268 -1630 -1077 1589 1557 1092 1543 1372 1292 -104 -1331 -2725 -3416 -2070 -2270 -2320 -2479 -2817 -1724 -255 339 1225 1326 1569 1328 516 -815 -1578 -593 -597 -292 598 1400 623 -347 -1327 -2190 -1018 -553 -1578 -1837 -1011 -877 706 1553 1589 1193 748 37 -383 -288 6 58 953 628 690 773 1164 775 860 -552 -725 452 55 -229 -873 -1178 -526 4 323 -7 607 752 499 -150 -538 -1645 700 307 252 -748 -839 -533 -214 235 -152 -1021 -1495 -803 -308 66 311 144 139 604 670 973 484 316 734 865 934 598 -156 -499 -230 -175 593 714 382 -1690 -2795 -2224 -2156 -872 -111 -477 -325 -137 217 156 625 339 -242 -345 -949 -95 650 778 912 780 467 1175 582 -188 -212 133 1000 1870 2608 2163 137 -1131 -1441 -938 1457 1479 1119 1621 1430 1292 -98 -1220 -2302 -2806 -1770 -2161 -2285 -2648 -2996 -1912 -298 395 1489 1641 1913 1648 597 -920 -1653 -607 -646 -323 721 1705 791 -433 -1651 -2561 -1160 -658 -2033 -2359 -1342 -1209 951 2179 2294 1711 1021 50 -504 -362 8 73 1266 884 991 1093 1587 1016 1138 -702 -889 556 72 -300 -1184 -1627 -739 6 468 -11 940 1180 784 -233 -810 -2427 SS 20230912T144844.3Z 8655.617179 262 1 48.78 2 45.86 135.58 23.94 164.21 0.00 1 0.00 1 0 17 1.600e-02 1.178e-02 1.976e-03 9.412e-04 1.844801e-01 4.979145e-04 2.240502e-03 -6.000000e+00 9.617666e-03 229.50 -2.00 3.51 -2.00 316.37 0.00e+00 1.054177e-03 5.735071e-05 2.717819e-04 -6.000000e+00 4.290950e-04 288.04 -2.00 20.00 -2.00 315.58 0.00e+00 1.434 0.000 302.00 328.00 3 3.5349e+00 1.2991e-03 1.7205e-02 -6.0000e+00 2.3943e-02 5.7006e-02 1.4463e-03 9.4480e-03 -6.0000e+00 2.5814e-02 -6.7449e-03 8.3627e-04 4.6008e-03 -6.0000e+00 1.5405e-02 -6.2352e-03 3.9049e-04 1.3146e-03 -6.0000e+00 6.6128e-03 3.0020e-03 -5.0613e-05 2.9088e-05 1.6220e-05 -6.0000e+00 4.7076e-04 -3.9376e-03 0.0000e+00 12 8 8 10 0 0 99.99 22.95 0.33 -0.00394 -0.00432 235 54 1 5 0 207.530 26.32 20.01 22.95 30.93 22.4 1052.70 2212 1012 -50 -3423 -3271 -2786 -629 545 -460 -2973 -5324 -3103 -1541 -105 387 -66 -393 1905 1676 2228 857 649 1709 1738 1880 1208 -553 -805 -215 86 1299 1527 788 -3028 -5804 -4643 -3978 -1271 -246 -1000 -603 -276 149 56 718 354 -393 -571 -972 -347 965 973 1065 937 433 1325 580 -371 -350 96 1207 2242 2605 2298 171 -1282 -1400 -939 1725 1470 1109 1403 1171 1529 -110 -1427 -2568 -3363 -1883 -2267 -2316 -2522 -2824 -1644 -316 244 1231 1306 1541 1482 488 -751 -1681 -703 -415 -324 642 1430 589 -339 -1387 -2230 -1090 -617 -1678 -1731 -1027 -942 809 1431 1672 1063 767 126 -452 -581 -120 61 1035 585 734 504 1104 704 790 -473 -799 372 -36 -264 -808 -1192 -444 48 354 178 613 844 522 -90 -531 -1630 431 211 -10 -678 -585 -475 -111 106 -98 -659 -1194 -701 -377 -28 116 -21 -130 632 573 777 306 230 607 644 727 477 -215 -295 -74 29 447 562 306 -1207 -2267 -1786 -1670 -612 -138 -635 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