File name: Pandora177s1_WestportCT_20231115_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T152411.8Z 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_20231115_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: 20231115 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 20231115T132132.5Z 8719.556626 89 1 13.21 2 74.98 132.09 99.56 118.91 0.00 1 0.00 1 0 25 2.501e-01 1.407e-02 2.461e-01 1.026e-02 4.520501e-01 5.486238e-03 5.525100e-03 -6.000000e+00 1.479907e-01 223.20 -2.00 3.51 -2.00 320.22 0.00e+00 7.554793e-03 1.955840e-03 1.764121e-03 -6.000000e+00 6.884295e-03 280.36 -2.00 20.00 -2.00 319.64 0.00e+00 3.785 0.001 302.00 328.00 3 4.0535e+00 1.6263e-02 4.4347e-02 -6.0000e+00 3.6431e-01 1.6343e-02 1.9982e-02 2.3702e-02 -6.0000e+00 3.9544e-01 1.8003e-02 1.7994e-02 1.6293e-02 -6.0000e+00 2.3508e-01 -2.4171e-02 9.2383e-03 9.2252e-03 -6.0000e+00 1.0181e-01 1.2375e-04 -1.0031e-03 3.2579e-04 1.0788e-04 -6.0000e+00 7.4902e-03 -1.9904e-03 0.0000e+00 12 9 9 12 1 1 99.47 23.11 0.56 -0.00199 -0.00953 4 4 1 5 0 2640.790 26.51 19.97 23.11 5.66 21.5 888.92 -15096 900000 -43823 212882 -46704 -22021 900000 -51257 117999 -16405 900000 14387 18382 -80 -33772 -49412 23687 16311 -32676 47926 28190 18359 -28283 -21247 42834 -2422 -19097 -23867 14732 -13770 17508 -11610 26603 188 -9126 1312 6511 5687 3137 6196 -3311 1863 3062 -7527 -4155 -1611 1503 -1974 197 -2945 4294 2244 -410 -703 1704 1885 1325 -208 5629 1568 1473 601 1315 3314 -224 -431 2507 -680 1070 1354 2688 1278 671 1981 -685 -3245 -2038 -2500 -2265 -139 -3198 -426 -3103 -2655 -595 -564 3041 968 1744 -99 3644 -858 -1250 -598 -2198 1384 919 1789 -483 1324 -1178 -1826 644 -2187 -2212 -3391 537 -1547 930 572 1936 321 -157 -1729 -423 229 -1791 -233 1354 1428 1198 481 630 -224 2081 -262 -600 552 -197 -101 -525 -1979 -684 1179 -458 859 82 877 926 -1114 -35 -915 -151 900000 -696 2128 -687 -246 900000 -904 1179 -232 900000 178 270 -2 -1291 -2557 655 527 -1844 1268 928 669 -1680 -1237 1385 -127 -1179 -1530 650 -866 926 -956 1658 16 -816 106 555 582 393 863 -559 319 542 -1527 -836 -323 297 -411 41 -670 987 577 -117 -212 521 591 422 -67 1685 494 492 224 540 1440 -103 -190 1032 -297 507 718 1519 754 392 1080 -352 -1555 -963 -1204 -1207 -79 -2136 -307 -2468 -2231 -521 -527 2879 955 1686 -93 3090 -704 -983 -481 -1980 1366 1031 2203 -606 1602 -1433 -2042 675 -2440 -2637 -4334 696 -2050 1304 877 3117 536 -256 -2705 -613 318 -2580 -347 2109 2306 1939 763 963 -333 3078 -380 -856 815 -304 -170 -947 -3772 -1342 2402 -951 1838 182 1945 2042 -2429 -72 -1915 SS 20231115T133809.0Z 8719.568160 99 1 48.24 2 72.73 135.45 96.98 121.35 0.00 1 0.00 1 0 17 1.859e-01 1.408e-02 1.784e-01 8.029e-03 4.110078e-01 4.237287e-03 5.291979e-03 -6.000000e+00 1.090691e-01 223.20 -2.00 3.51 -2.00 320.12 0.00e+00 2.990792e-03 1.396147e-03 2.720749e-03 -6.000000e+00 4.828129e-03 280.36 -2.00 20.00 -2.00 319.53 0.00e+00 3.319 0.001 302.00 328.00 3 4.6546e+00 1.2388e-02 4.0562e-02 -6.0000e+00 2.6831e-01 2.1080e-02 1.4929e-02 2.5248e-02 -6.0000e+00 2.9102e-01 -2.5415e-02 1.2520e-02 1.3323e-02 -6.0000e+00 1.7370e-01 2.8860e-03 6.4738e-03 4.0966e-03 -6.0000e+00 7.4952e-02 1.1354e-04 -5.8994e-04 2.5761e-04 6.8724e-05 -6.0000e+00 5.4601e-03 -5.3075e-04 0.0000e+00 12 8 8 10 0 0 99.95 23.11 0.43 -0.00053 -0.00496 22 5 1 5 0 2192.350 26.51 19.98 23.11 6.68 21.7 896.50 22278 2034 -66511 132083 60877 -68964 -24232 -23362 -48122 -67852 38841 33508 19555 -17987 -10182 1825 -14598 -1878 -22882 4212 21865 11899 12262 -2855 -2852 -18290 30133 2734 21163 -49 -3324 7819 8413 -6417 -11184 -6694 -13349 -7541 1198 7112 -3258 1764 4707 1013 -182 1169 -3650 -2763 -221 1351 6826 3914 630 4067 343 1353 -324 -352 947 4825 -377 1203 5958 1964 -1102 -1238 417 309 4041 2201 1231 3890 1157 -1036 -3233 -2834 -3240 -5113 -1110 170 -2167 -3142 -1750 -1987 -266 -452 2087 1264 3371 1559 973 -2912 -2352 -2110 -1766 43 657 803 -59 917 -457 -2697 -1655 -1992 -1935 -1933 -786 -430 1232 2671 1725 1027 806 -660 -1446 -193 -637 88 381 -76 1010 740 1530 187 791 -756 -1160 414 -212 -46 -967 -1156 -1432 496 -708 120 774 1146 1281 -472 -120 -1358 256 32 -2113 1034 477 -1937 -469 -506 -1463 -2625 570 574 432 -704 -436 78 -800 -97 -1538 239 1059 640 678 -196 -208 -1602 1607 186 1180 -4 -277 662 774 -697 -1237 -714 -1692 -1077 188 1204 -671 366 981 223 -41 263 -863 -650 -52 325 1677 1078 193 1267 115 463 -114 -123 322 1587 -137 472 2454 899 -522 -559 177 135 1876 1166 710 2248 676 -586 -1719 -1451 -1556 -2519 -577 100 -1484 -2399 -1413 -1600 -224 -408 1926 1198 3291 1483 866 -2488 -1901 -1743 -1594 43 733 985 -76 1155 -539 -2990 -1757 -2206 -2290 -2422 -1024 -590 1796 4157 2868 1744 1329 -1037 -2146 -273 -918 132 606 -127 1665 1192 2362 283 1137 -1054 -1588 582 -327 -78 -1734 -2151 -2782 997 -1525 267 1755 2616 2903 -1055 -254 -2803 SS 20231115T134244.5Z 8719.571349 102 1 21.64 2 72.13 136.40 96.28 122.04 0.00 1 0.00 1 0 17 5.343e-02 1.062e-02 1.109e-02 1.054e-03 3.905218e-01 5.472863e-04 4.822091e-03 -6.000000e+00 3.135386e-02 223.20 -2.00 3.51 -2.00 319.23 0.00e+00 2.597969e-03 1.398818e-04 1.535125e-03 -6.000000e+00 1.387853e-03 280.36 -2.00 20.00 -2.00 318.60 0.00e+00 3.214 0.001 302.00 328.00 3 1.4292e+00 1.5126e-03 3.7920e-02 -6.0000e+00 7.7132e-02 -1.0889e-02 1.7586e-03 2.0816e-02 -6.0000e+00 8.3656e-02 3.1434e-03 1.3359e-03 1.1087e-02 -6.0000e+00 4.9934e-02 -7.7485e-03 7.0548e-04 3.7303e-03 -6.0000e+00 2.1547e-02 3.2811e-03 -2.9976e-04 3.2418e-05 4.5280e-05 -6.0000e+00 1.5695e-03 -8.8706e-04 0.0000e+00 12 9 9 12 1 1 96.54 23.10 0.31 -0.00089 -0.00314 132 69 1 5 0 162.660 26.51 20.02 23.10 7.00 21.7 899.19 -6020 -6049 -10164 -15668 -22817 -23554 -23655 -18556 -12520 -17151 -12472 -14096 -10413 -6540 -7178 -3586 -3200 806 378 3685 -1265 -986 1222 -1340 -1383 -4431 -5019 -4397 -2147 -2715 273 -1012 -607 -4831 -7543 -6611 -5001 -1613 -96 -71 -430 -476 89 566 1174 1142 1013 194 -315 1002 1478 1985 2168 1308 813 1518 367 -561 -767 289 1431 2943 3374 2606 438 -820 -539 -454 2362 1789 1285 1660 665 781 -667 -1649 -3046 -3314 -2063 -2144 -2170 -2129 -2795 -1506 -202 326 1447 1407 1729 1218 464 -1022 -1975 -1012 -909 -323 632 1433 492 -334 -1546 -2058 -816 -472 -1685 -1977 -1024 -692 808 1417 1295 668 411 -215 -476 -328 65 376 828 248 566 825 1310 781 777 -793 -672 483 -82 -469 -1005 -1316 -457 -43 123 -59 753 913 665 -54 -401 -1208 -149 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