File name: Pandora75s1_EssexMD_20240804_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240805T052031.7Z 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_20240804_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: 20240804 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 20240804T111936.1Z 8982.471945 83 1 52.75 2 77.88 77.81 77.33 73.77 0.00 1 0.00 1 0 17 4.329e-01 2.503e-02 1.809e-01 5.398e-03 5.718525e-01 3.080739e-03 7.479718e-03 -6.000000e+00 2.685287e-01 232.06 -2.00 3.48 -2.00 320.48 0.00e+00 5.364918e-03 1.190441e-03 4.799571e-03 -6.000000e+00 1.253703e-02 290.94 -2.00 20.00 -2.00 319.77 0.00e+00 4.616 0.002 302.00 328.00 3 3.6604e+00 9.6312e-03 5.9136e-02 -6.0000e+00 6.7248e-01 2.4380e-01 1.2057e-02 4.1141e-02 -6.0000e+00 7.2353e-01 -3.1105e-01 1.0040e-02 1.8764e-02 -6.0000e+00 4.3174e-01 1.3257e-01 5.0139e-03 4.3902e-03 -6.0000e+00 1.8565e-01 6.8062e-05 -2.5228e-03 1.6824e-04 1.0396e-04 -6.0000e+00 1.3606e-02 -3.1483e-02 1.6377e-04 12 8 8 10 0 0 99.97 23.58 0.57 -0.03148 -0.05044 15 2 1 5 0 3515.960 26.32 20.00 23.58 32.00 4.7 1036.58 900000 187102 10146 900000 -189566 -53768 96474 -15355 -152871 -114758 -129717 -38950 900000 900000 -49464 138067 24657 -75131 900000 104271 110034 900000 115125 32023 15697 91222 74610 74625 -5832 -14505 5141 -2641 -1773 25798 64398 88700 -17312 4739 17422 1339 -5757 9629 13923 17097 19316 27154 17468 -927 16063 13386 7612 15188 27279 22397 8940 3681 4049 56 7805 -5416 -631 6884 6343 4399 917 -11573 2146 388 8791 12684 279 4280 -1978 110 2495 2285 -5080 -6650 152 -5270 -1185 -11253 -1127 175 -917 -1910 -350 1617 289 2092 -2138 -4503 -521 -4953 -3903 714 -906 897 1036 416 -1648 -2864 403 -1927 -2254 -1082 -562 -139 250 2208 1521 989 -4 -832 565 821 -227 -99 -374 1482 423 2896 2817 256 618 -2099 946 1128 -828 120 15 -1038 76 -1173 -169 -567 409 1545 179 105 -1110 -915 900000 984 92 900000 -11597 -797 507 -169 -7233 -3949 -5394 -707 900000 900000 -1820 1016 635 -5207 900000 1480 1504 900000 1513 1010 611 1727 1687 1648 -282 -801 265 -171 -129 1519 2539 2705 -1629 411 1585 168 -872 1342 1947 2382 2671 3526 2535 -165 2483 2238 1465 2978 5149 4769 2294 1028 1147 16 2081 -1634 -187 2059 2127 1656 373 -5251 832 156 3517 5488 150 2316 -1133 59 1199 997 -2225 -2958 69 -2926 -730 -7885 -780 127 -722 -1617 -306 1428 259 1777 -1775 -3579 -382 -3866 -3303 658 -975 1069 1215 491 -1879 -3314 422 -2075 -2580 -1298 -711 -172 335 3194 2407 1643 -6 -1349 856 1196 -336 -152 -611 2464 710 4632 4362 390 901 -3027 1298 1608 -1322 210 26 -1947 148 -2442 -371 -1211 888 3362 392 221 -2424 -1900 SS 20240804T113345.9Z 8982.481781 89 1 2.53 2 75.19 79.93 74.79 75.79 0.00 1 0.00 1 0 25 2.313e-01 1.719e-02 1.596e-01 1.179e-02 4.968793e-01 6.475091e-03 6.215335e-03 -6.000000e+00 1.428149e-01 232.06 -2.00 3.48 -2.00 319.53 0.00e+00 2.046418e-03 1.861913e-03 2.593727e-03 -6.000000e+00 6.449258e-03 290.94 -2.00 20.00 -2.00 318.74 0.00e+00 3.832 0.001 302.00 328.00 3 2.7611e+00 1.8537e-02 4.7645e-02 -6.0000e+00 3.5725e-01 7.7374e-02 2.1839e-02 2.9828e-02 -6.0000e+00 3.8363e-01 -1.0977e-01 1.6350e-02 1.3397e-02 -6.0000e+00 2.2913e-01 4.4127e-02 8.5404e-03 3.5129e-03 -6.0000e+00 9.8174e-02 4.0285e-04 -1.0708e-03 3.6430e-04 5.3091e-05 -6.0000e+00 7.1379e-03 -3.3341e-02 1.1082e-04 12 9 9 12 17 1 999.00 23.60 0.28 -0.03334 -0.04139 1 7 1 5 0 1262.560 26.32 19.99 23.60 32.50 4.6 1038.95 -130691 -22811 900000 -79809 -66213 -118039 -23273 -69938 -74441 -40566 99283 -11667 -25342 -17658 -1558 -24684 -1889 47916 1194 -2933 -18864 -10453 -13195 5419 -6204 5646 -12660 -1027 -21518 -7130 3838 -4940 17383 -6564 -3701 -15853 -4440 -4543 -56 8324 -552 1039 5997 5006 6187 9109 10800 1560 -2972 -1193 1221 -510 8776 2707 5549 4186 4444 -3572 6810 3590 3115 -954 1103 3150 4126 2311 438 -131 118 2259 2244 -871 913 -827 -1107 -5045 3141 -3465 -1834 -3324 -760 -4037 2001 252 -2437 -901 192 -796 -2135 341 1538 -1126 -2977 -857 -2595 174 2527 -157 -440 900 -1676 -1599 89 -1531 -1917 -2076 -276 -300 2138 128 1217 284 1648 -6 -654 -593 -1347 239 462 792 2585 101 1004 1804 872 94 151 1002 133 191 -1427 -205 182 429 -1203 129 626 756 -623 -143 -10 -1790 -5872 -446 900000 -2936 -1979 -5699 -455 -2412 -2995 -1259 1141 -308 -903 -710 -64 -1504 -102 1707 73 -196 -1518 -781 -1047 380 -521 441 -1208 -85 -2127 -631 340 -545 1718 -875 -472 -2278 -618 -736 -10 1684 -125 248 1422 1229 1519 2419 2843 414 -845 -349 378 -176 2990 1052 2209 1750 1895 -1650 2790 1512 1364 -472 542 1651 2205 1224 230 -70 68 1441 1569 -607 675 -593 -736 -3165 1691 -1981 -1119 -2363 -557 -3434 1743 238 -2349 -911 202 -868 -2358 354 1473 -1112 -2859 -816 -2539 187 2819 -201 -563 1205 -2175 -1911 106 -1754 -2345 -2693 -371 -404 3037 191 1923 467 2639 -9 -965 -892 -2054 374 719 1278 4113 161 1540 2800 1306 136 214 1464 200 316 -2432 -363 335 787 -2380 263 1307 1519 -1260 -294 -20 -3410 SS 20240804T144724.6Z 8982.616257 213 1 3.82 2 38.50 115.01 39.00 107.87 0.00 1 0.00 1 0 17 1.458e-02 1.024e-02 7.255e-03 4.927e-03 1.836743e-01 2.708450e-03 2.231294e-03 -6.000000e+00 9.004981e-03 232.05 -2.00 3.48 -2.00 314.94 0.00e+00 4.749128e-04 2.333697e-04 9.880070e-05 -6.000000e+00 4.014850e-04 290.94 -2.00 20.00 -2.00 314.24 0.00e+00 1.277 0.000 302.00 328.00 3 4.5520e+00 6.9810e-03 1.6024e-02 -6.0000e+00 2.2526e-02 4.8802e-02 7.6820e-03 9.5228e-03 -6.0000e+00 2.4187e-02 -3.3639e-05 4.4033e-03 4.6198e-03 -6.0000e+00 1.4438e-02 -8.1755e-03 1.9452e-03 1.2679e-03 -6.0000e+00 6.1700e-03 1.2595e-03 -9.1505e-04 1.5370e-04 1.9838e-05 -6.0000e+00 4.4957e-04 -3.3572e-02 2.0466e-04 12 9 9 12 1 1 999.00 23.60 0.24 -0.03357 -0.04045 1 4 1 5 0 1908.630 26.32 20.00 23.60 36.12 4.6 1063.88 -3074 -637 1074 3427 -4193 -613 -4018 -4182 -1807 -1503 -1975 -1867 -2811 217 45 -211 791 39 1579 2769 2682 2007 2007 490 195 1652 2929 1959 700 -1125 1547 1040 -189 -1333 -2560 -3074 -3962 -4698 720 -666 -798 -787 504 338 781 155 243 -1059 -15 482 355 1407 584 961 1267 402 239 658 446 -51 281 2187 2640 431 460 55 -1134 -591 -825 1294 1380 1191 695 537 -699 -558 -2369 -2354 -699 -1970 -2040 -1710 -2200 -1925 -647 213 402 740 384 1072 -440 -365 -1199 -631 -950 112 506 1422 263 -183 -1021 -1269 -521 -743 -278 -1410 -160 -48 546 919 1071 876 666 -309 164 -153 164 -440 637 593 536 1265 774 -90 1020 -96 -863 946 -27 -16 -462 414 -600 353 47 -421 -11 366 159 -105 -651 -1346 -981 -216 368 1098 -1309 -188 -1187 -1343 -621 -545 -722 -684 -1109 85 20 -101 390 19 756 1345 1325 997 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