File name: Pandora177s1_WestportCT_20240111_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T041615.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20240111_L1_smca1c7d20230401p1-8.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: 20240111 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]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20240111T141847.0Z 8776.596377 108 1 9.12 2 73.34 140.92 79.47 141.57 0.00 1 0.00 1 0 25 3.557e-01 1.291e-02 1.506e-01 5.175e-03 5.263852e-01 2.731384e-03 6.469897e-03 -6.000000e+00 2.089146e-01 223.61 -2.00 3.51 -2.00 319.99 0.00e+00 4.347912e-03 8.868910e-04 2.749889e-03 -6.000000e+00 9.052063e-03 275.40 -2.00 20.00 -2.00 319.48 0.00e+00 3.434 0.001 302.00 328.00 3 3.1343e+00 7.8412e-03 4.4368e-02 -6.0000e+00 5.1528e-01 4.6218e-02 9.5329e-03 2.9012e-02 -6.0000e+00 5.5929e-01 -3.0969e-02 8.6397e-03 1.7821e-02 -6.0000e+00 3.3272e-01 5.1430e-03 4.4802e-03 7.4542e-03 -6.0000e+00 1.4273e-01 3.9142e-04 2.7841e-04 1.5423e-04 9.7817e-05 -6.0000e+00 1.0447e-02 -2.4548e-03 0.0000e+00 12 9 9 12 1 1 99.06 23.07 0.27 -0.00245 -0.00036 7 10 1 5 0 1139.230 26.41 20.03 23.07 10.22 22.5 925.65 312362 -72368 -47980 -94970 122883 -100837 -55782 -52002 -83870 -21800 -62146 -74083 -60860 -25328 -29790 -18020 7133 -14209 6603 -16273 10402 1385 -3830 -7095 -4376 -6717 -15223 -2662 -31767 492 -14938 3266 -1377 -4136 -5023 -15248 -4424 -8001 5665 -5625 4947 1906 5903 308 698 2925 4708 5474 -2737 4833 1211 5902 3677 2953 2532 3451 3327 -3376 -1550 -1566 3784 2562 3587 2570 1200 1242 -3229 2426 -1133 2917 811 1971 1396 -515 -1744 -3660 -2289 -3240 -1617 -2584 -1395 -1363 -2662 -1394 -99 914 1717 1924 1259 43 -732 -583 -1994 -1008 -515 -465 747 995 815 -565 -1334 -1768 -915 -189 -1936 -1693 -1842 -23 1087 1127 1244 179 449 -309 -949 -1075 382 -535 1576 592 845 1877 1723 199 912 -1035 -201 641 -737 -547 -1107 -1200 -856 67 451 106 1249 400 636 71 -604 -1324 1576 -1290 -694 -2108 620 -2205 -844 -857 -2088 -308 -1401 -2168 -1945 -716 -1072 -667 228 -612 247 -799 399 59 -178 -365 -234 -380 -932 -141 -2287 28 -1146 244 -120 -378 -453 -1549 -452 -1020 756 -969 845 358 1108 63 144 601 968 1143 -644 1125 321 1642 1133 973 876 1220 1192 -1279 -566 -575 1394 992 1534 1200 577 577 -1531 1134 -613 1700 519 1275 887 -313 -980 -1903 -1114 -1644 -907 -1702 -1039 -1061 -2260 -1240 -92 897 1749 1874 1284 43 -677 -501 -1684 -882 -500 -487 877 1288 1052 -722 -1666 -2020 -997 -212 -2348 -2167 -2487 -31 1575 1790 2001 297 726 -477 -1461 -1609 573 -851 2588 958 1349 3017 2672 303 1321 -1462 -278 933 -1205 -935 -2026 -2294 -1627 134 948 223 2635 857 1341 151 -1228 -2587 SS 20240111T143629.4Z 8776.608674 118 1 17.86 2 71.32 144.67 77.52 144.91 0.00 1 0.00 1 0 25 1.089e-01 1.114e-02 5.036e-02 2.786e-03 4.813014e-01 1.460958e-03 5.893010e-03 -6.000000e+00 6.394448e-02 223.61 -2.00 3.51 -2.00 319.71 0.00e+00 3.992103e-03 4.314930e-04 2.237015e-03 -6.000000e+00 2.770634e-03 275.39 -2.00 20.00 -2.00 319.19 0.00e+00 3.085 0.000 302.00 328.00 3 2.9885e+00 4.1132e-03 3.9874e-02 -6.0000e+00 1.5772e-01 4.3737e-02 4.8972e-03 2.5804e-02 -6.0000e+00 1.7119e-01 -1.4772e-02 4.2267e-03 1.5415e-02 -6.0000e+00 1.0184e-01 -2.8301e-03 2.2240e-03 6.3758e-03 -6.0000e+00 4.3688e-02 6.6334e-04 6.1738e-05 8.4040e-05 8.2443e-05 -6.0000e+00 3.1977e-03 -2.4653e-03 0.0000e+00 12 9 9 12 1 1 91.04 23.07 0.33 -0.00247 -0.00200 20 13 1 5 0 850.150 26.41 19.99 23.07 10.59 22.5 928.11 -27691 17075 -36888 -38310 -40950 -45442 -33183 -30452 -11824 -38606 -14843 -38069 -33663 -21528 -11800 -17948 -5542 -2042 -4668 1824 2617 2713 -905 -8266 -778 -8953 -10508 -13659 1927 -5413 -783 -1048 -2006 -10344 -5518 -7372 -3742 -2653 -569 -556 -1737 -535 -853 -996 857 860 1410 870 2148 1400 1449 481 1521 1354 1626 2749 197 276 -1257 760 1932 3388 4112 3071 923 -330 818 380 2774 2166 1051 1432 1045 600 -1006 -1811 -2812 -2932 -2476 -2104 -2577 -2976 -2692 -1739 -62 703 1666 1134 1956 1224 480 -1392 -2604 -943 -1112 -388 940 1840 484 -672 -1541 -2050 -918 -328 -1280 -1896 -586 -752 962 1066 1300 440 -18 -278 -620 -397 206 861 695 525 953 1157 1408 752 557 -1150 -973 153 -224 -511 -1090 -1170 -513 133 166 -82 764 693 652 83 -425 -1278 -419 186 -709 -714 -731 -838 -586 -591 -209 -936 -300 -1101 -1143 -806 -483 -895 -269 -103 -258 99 143 149 -54 -563 -52 -674 -797 -1047 127 -410 -65 -101 -214 -1228 -608 -840 -460 -387 -97 -109 -380 -123 -204 -243 209 213 351 221 555 386 435 160 540 509 635 1094 81 113 -512 305 808 1541 2059 1558 483 -168 427 193 1527 1344 709 985 706 383 -597 -1052 -1557 -1662 -1453 -1422 -1995 -2560 -2324 -1577 -59 703 1728 1200 2017 1213 446 -1303 -2372 -876 -1076 -423 1142 2301 643 -881 -1876 -2432 -1038 -383 -1605 -2380 -763 -1044 1425 1625 2101 730 -29 -425 -947 -586 307 1339 1081 843 1512 1879 2198 1139 810 -1627 -1352 222 -358 -847 -1931 -2158 -982 254 333 -172 1622 1482 1380 170 -829 -2407 SS 20240111T144028.2Z 8776.611437 121 1 10.73 2 70.89 145.54 77.11 145.67 0.00 1 0.00 1 0 25 1.639e-01 1.341e-02 1.513e-01 8.183e-03 4.719397e-01 4.278111e-03 5.682475e-03 -6.000000e+00 9.632773e-02 223.61 -2.00 3.51 -2.00 319.72 0.00e+00 1.168305e-03 1.260869e-03 1.854676e-03 -6.000000e+00 4.171354e-03 275.39 -2.00 20.00 -2.00 319.20 0.00e+00 3.020 0.000 302.00 328.00 3 4.3038e+00 1.2070e-02 3.9074e-02 -6.0000e+00 2.3760e-01 5.2108e-02 1.4351e-02 2.5554e-02 -6.0000e+00 2.5784e-01 -2.6781e-02 1.2191e-02 1.3585e-02 -6.0000e+00 1.5339e-01 5.9552e-03 6.3941e-03 4.3243e-03 -6.0000e+00 6.5842e-02 1.9261e-04 9.1821e-04 2.4945e-04 5.8516e-05 -6.0000e+00 4.8143e-03 -6.1211e-03 0.0000e+00 12 9 9 12 9 1 98.63 23.07 0.48 -0.00612 0.00078 3 4 1 5 0 2682.060 26.41 20.00 23.07 10.68 22.6 929.14 -83683 -55624 -45499 -88287 -19939 58477 -44230 -14336 9429 24081 -65537 8166 434 18807 -24109 2793 10455 11242 21183 35492 6823 -11786 16944 6383 11282 -11665 -7640 -16693 -15966 -2045 -1374 13991 -4584 1209 -14565 -10064 -7000 2372 5945 -4552 -1121 1809 4543 -2823 2422 2868 -4950 3816 -1324 6604 3483 1827 3153 683 553 1578 1443 789 -2020 1641 2655 5405 4452 3427 1185 -2188 -1753 30 1282 1695 -2521 1795 580 1194 -1363 -2019 -5037 -2660 1168 -1911 -1557 -3227 -3908 -1230 -264 160 2376 923 1930 978 -169 -440 -1835 318 -92 -571 484 1044 1083 -437 -637 -2203 406 -1801 -1473 -1887 -1808 -974 1337 2099 682 837 909 -352 170 -1639 -97 6 1571 65 991 70 873 498 607 -340 -863 291 -126 733 -1182 -1328 -394 -23 -712 -347 968 788 1343 -188 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