File name: Pandora177s1_WestportCT_20230717_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T130346.2Z 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_20230717_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: 20230717 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 20230717T105616.3Z 8598.455744 83 1 49.41 2 76.84 73.22 72.26 70.48 0.00 1 0.00 1 0 25 2.740e-01 1.247e-02 2.915e-01 6.833e-03 5.195181e-01 3.849658e-03 6.447807e-03 -6.000000e+00 1.666202e-01 232.88 -2.00 3.51 -2.00 320.86 0.00e+00 1.304423e-03 1.680740e-03 4.443738e-03 -6.000000e+00 7.477860e-03 289.49 -2.00 20.00 -2.00 320.19 0.00e+00 4.278 0.001 302.00 328.00 3 3.4210e+00 1.2775e-02 5.5422e-02 -6.0000e+00 4.1806e-01 -1.7266e-02 1.6660e-02 3.9962e-02 -6.0000e+00 4.4964e-01 3.2888e-02 1.5401e-02 1.6848e-02 -6.0000e+00 2.6797e-01 -2.3592e-02 7.5252e-03 4.1084e-03 -6.0000e+00 1.1476e-01 1.3596e-04 8.6473e-04 2.1885e-04 7.4807e-05 -6.0000e+00 8.0731e-03 3.6207e-03 0.0000e+00 12 9 8 11 8 0 96.49 23.66 0.79 0.00362 0.01012 27 6 1 5 0 1829.940 27.05 19.96 23.66 28.21 21.6 1040.84 64048 900000 -87791 -108585 -136968 -65900 -13962 139473 25382 47618 73039 68879 -67701 -8545 53368 -61140 -48581 2966 -34716 33808 -21948 5732 6078 -6548 -4719 -41955 11954 12370 15460 -8030 28603 20168 1613 -5767 -6192 -13294 -13281 13504 3781 2449 3925 6851 -3677 3647 1811 -906 712 -1643 2354 -368 4130 7300 -1580 -444 920 -353 1009 1204 -2085 -450 4010 461 6236 2619 132 -1088 -2197 -1921 -1322 3033 2567 26 1530 824 -337 -3832 -3771 -5589 276 -2135 -1392 -1338 -2778 -1417 1002 -433 1147 3164 1669 2202 1661 1053 -3352 -1311 -1312 -766 1662 2013 105 27 -1467 -2666 -1462 -123 -1979 -2001 -257 -1050 741 1997 1414 258 -142 -1085 -930 -876 -377 605 294 1047 230 1629 957 1165 81 -1109 -1614 368 -193 -409 -784 -1384 -1229 105 -179 652 1024 1280 604 249 -647 -1575 427 900000 -851 -1249 -1991 -479 -93 929 169 317 487 459 -1189 -103 420 -1740 -1353 54 -988 512 -598 121 136 -182 -140 -1880 311 315 384 -272 779 696 74 -293 -311 -741 -844 801 300 228 399 722 -448 422 217 -114 89 -216 340 -59 693 1313 -338 -100 216 -87 251 297 -524 -112 1012 134 1898 890 46 -375 -751 -688 -529 1309 1201 13 727 371 -141 -1508 -1411 -2204 115 -1064 -788 -841 -1911 -1025 756 -353 965 2651 1396 1750 1238 737 -2380 -957 -1070 -709 1700 2268 126 32 -1611 -2717 -1429 -123 -2167 -2320 -309 -1359 1030 2999 2277 429 -231 -1687 -1364 -1252 -547 918 473 1722 378 2559 1462 1714 116 -1537 -2226 528 -309 -721 -1477 -2743 -2554 229 -415 1559 2498 3141 1477 588 -1463 -3446 SS 20230717T110716.5Z 8598.463386 86 1 48.08 2 74.85 74.89 70.37 72.01 0.00 1 0.00 1 0 25 1.333e-01 1.231e-02 1.207e-01 3.722e-03 4.657500e-01 2.028692e-03 6.126152e-03 -6.000000e+00 8.102626e-02 232.88 -2.00 3.51 -2.00 320.35 0.00e+00 2.610156e-03 7.506367e-04 4.125118e-03 -6.000000e+00 3.597466e-03 289.49 -2.00 20.00 -2.00 319.62 0.00e+00 3.751 0.001 302.00 328.00 3 3.1290e+00 6.2509e-03 4.8591e-02 -6.0000e+00 2.0329e-01 1.2501e-02 7.7710e-03 3.4955e-02 -6.0000e+00 2.1867e-01 6.6806e-03 6.6088e-03 1.5440e-02 -6.0000e+00 1.3023e-01 -1.2428e-02 3.3383e-03 3.4759e-03 -6.0000e+00 5.5510e-02 3.1495e-04 4.9653e-04 1.1672e-04 7.2021e-05 -6.0000e+00 3.9267e-03 4.6415e-03 0.0000e+00 12 8 8 10 0 0 87.57 23.57 0.57 0.00464 0.00837 41 9 1 5 0 1172.480 26.94 20.00 23.57 28.25 21.6 1041.58 -45426 16750 -19495 55537 -42255 -26662 -37975 -46414 -72658 -52630 7572 -8741 117 -18897 8898 -8116 -24437 -19177 -20868 -18376 6161 -9674 -4368 2448 2453 -6925 -13535 -13422 -2777 -21897 -582 -3501 -500 -4061 -7242 -9139 -6851 -114 -5149 653 2110 2992 1780 1007 -761 -940 -4832 -2314 3576 -316 -822 4467 3384 799 995 1257 -476 -1333 457 2454 1337 4341 3689 4817 285 -940 -2224 323 1843 1332 2610 2626 1867 1501 -645 -2379 -4311 -3092 -2845 -1931 -2298 -1341 -2727 -1234 -447 1001 2109 2043 3025 2131 703 -1980 -2149 -2685 -792 -587 45 1058 629 -721 -2364 -2084 -791 -757 -1846 -1871 -1521 -1190 970 1822 1842 643 152 -880 -423 -1191 -334 222 1166 1099 697 1292 1243 874 -62 -1416 -761 93 32 -359 -962 -1033 -700 -20 172 167 960 1039 639 215 -444 -1476 -524 116 -199 256 -488 -264 -464 -704 -1582 -990 82 -127 2 -455 194 -238 -927 -746 -881 -794 213 -399 -179 111 119 -382 -791 -765 -142 -1446 -35 -253 -38 -330 -594 -783 -649 -12 -697 96 336 502 313 182 -143 -179 -964 -457 685 -67 -191 1078 892 229 298 388 -152 -425 141 751 438 1520 1438 1984 123 -394 -918 135 849 692 1441 1488 1045 797 -320 -1092 -1905 -1382 -1414 -1099 -1495 -955 -2117 -1003 -385 906 1980 1950 2813 1909 595 -1595 -1670 -2179 -699 -586 50 1292 807 -913 -2807 -2267 -827 -825 -2176 -2334 -1990 -1651 1430 2895 3101 1011 256 -1412 -636 -1754 -497 347 1912 1864 1183 2116 1965 1337 -92 -2033 -1071 137 52 -637 -1820 -2034 -1436 -40 357 361 2108 2300 1408 460 -907 -3222 SS 20230717T111749.3Z 8598.470710 89 1 48.09 2 72.92 76.48 68.53 73.47 0.00 1 0.00 1 0 25 7.287e-02 1.166e-02 2.876e-02 1.717e-03 4.195888e-01 9.421448e-04 5.403436e-03 -6.000000e+00 4.430713e-02 232.88 -2.00 3.51 -2.00 319.90 0.00e+00 2.369091e-03 2.931231e-04 3.085610e-03 -6.000000e+00 1.967190e-03 289.49 -2.00 20.00 -2.00 319.12 0.00e+00 3.353 0.001 302.00 328.00 3 2.4098e+00 2.7846e-03 4.2374e-02 -6.0000e+00 1.1117e-01 -2.4445e-03 3.3293e-03 2.8302e-02 -6.0000e+00 1.1957e-01 8.1284e-03 2.6027e-03 1.3012e-02 -6.0000e+00 7.1211e-02 -1.1043e-02 1.3359e-03 3.1428e-03 -6.0000e+00 3.0354e-02 1.0090e-03 6.2200e-04 5.4669e-05 5.2506e-05 -6.0000e+00 2.1472e-03 4.6586e-03 0.0000e+00 12 8 8 10 0 0 75.44 23.57 0.38 0.00466 0.00933 108 25 1 5 0 445.220 26.94 20.01 23.57 28.46 21.7 1043.79 -21720 -14467 -15335 -23139 -22413 -37841 -20857 -12248 -7020 -26280 -19826 -28937 -6414 -13873 -11406 -6517 -6564 3401 -8483 2856 -7475 1976 -3163 -2771 -2305 -4745 -5795 -6380 -4461 -2686 2030 -967 -19 -6575 -9665 -8489 -6719 -1710 -513 -291 -444 -824 615 997 1170 22 909 -159 -895 -396 1850 771 1606 1042 844 1701 158 312 -416 490 386 3594 4241 3358 1128 -923 -709 -816 2270 1487 2080 2080 1296 1680 -320 -2263 -3464 -3284 -2779 -2004 -2251 -2015 -2832 -1430 14 692 2141 1706 2090 1497 378 -1158 -2289 -1534 -835 -436 577 1644 625 -489 -1911 -2635 -1425 -723 -1413 -1885 -1078 -531 1086 1463 1542 829 289 -447 -1032 -625 -92 400 990 714 818 1012 1421 664 466 -1175 -958 346 -53 -709 -1255 -1431 -737 -72 426 117 732 1071 727 118 -587 -1405 -341 -233 -254 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