File name: Pandora55s1_QueensNY_20230725_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T120420.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230725_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230725 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 --------------------------------------------------------------------------------------- SU 20230725T115549.4Z 8606.497100 348 1 50.09 2 67.31 83.07 144.24 39.61 0.00 1 0.00 1 0 17 4.146e-01 6.693e-02 2.568e-02 2.769e-03 3.512015e-01 1.456294e-03 4.408474e-03 -6.000000e+00 2.504227e-01 232.55 -2.00 3.51 -2.00 318.27 0.00e+00 2.804424e-02 2.808632e-04 9.793122e-04 -6.000000e+00 1.134560e-02 289.81 -2.00 20.00 -2.00 317.44 0.00e+00 2.571 0.000 302.00 328.00 3 4.6479e+00 3.9527e-03 3.3321e-02 -6.0000e+00 6.2738e-01 2.7267e-01 4.4399e-03 3.2499e-02 -6.0000e+00 6.7635e-01 -3.8425e-01 2.6734e-03 1.5378e-02 -6.0000e+00 4.0372e-01 1.9544e-01 1.3742e-03 2.0789e-02 -6.0000e+00 1.6989e-01 2.1731e-04 -1.6103e-03 8.2792e-05 2.1288e-04 -6.0000e+00 1.2395e-02 6.9977e-04 0.0000e+00 12 8 8 10 0 0 -32.99 22.63 0.34 0.00070 -0.01140 13 2 1 5 0 3852.630 26.00 20.01 22.63 34.96 36.9 1100.00 78060 91462 900000 98448 134830 155679 103840 240140 76290 58949 23390 34180 23679 10595 105012 69230 62258 -99695 110971 89531 97412 70176 60995 24710 30233 14910 43659 7516 11976 18859 31506 46797 41030 31766 35022 50645 27556 18576 21158 13991 2418 3361 -3789 177 5296 15612 10800 20928 19780 22048 15626 14197 9360 16233 9748 3802 2742 -4610 -4493 -5913 -2061 3004 3753 941 6042 1585 8049 3075 3173 957 -2825 -1837 -2072 -5927 -2574 -6260 -4482 -1738 -4550 -5591 -2835 661 -2399 -2578 -5786 -4202 -6155 -4245 -4877 -2757 -2428 -2818 -2066 -2809 -2950 -2191 -2593 -583 -278 66 1094 90 420 1711 383 -1203 -1299 -1381 270 1959 1422 -17 1199 451 -559 161 1060 2399 1751 1687 617 1638 2947 3286 2070 1475 1102 2214 1590 1948 2488 1988 1963 1416 1188 -466 -172 -809 -1249 -2281 -1801 -2197 -1843 -2566 5096 6223 900000 6645 5908 4921 4757 2846 4046 3495 1830 2440 2151 1370 7116 7782 8309 -57323 10713 10887 11037 9914 8756 4591 4991 2681 5871 1386 2141 3325 5468 8065 8367 7468 7949 9463 6226 4784 5880 4539 924 1335 -1660 79 2337 6586 4864 8793 8422 9272 7080 6786 4868 8272 5336 2170 1563 -2733 -2628 -3490 -1215 1805 2433 672 4365 1191 5523 2103 2151 696 -2270 -1544 -1773 -5155 -2104 -4970 -3271 -1177 -3146 -4154 -2279 567 -2254 -2533 -6029 -4511 -6971 -4920 -5801 -3233 -2784 -3096 -2128 -2766 -2897 -2252 -2892 -700 -357 88 1457 117 511 1990 454 -1500 -1690 -1857 374 2793 2131 -27 1900 708 -852 234 1481 3327 2503 2514 957 2562 4544 4958 3073 2134 1553 3015 2182 2781 3730 3105 3144 2312 1992 -813 -308 -1480 -2318 -4275 -3327 -3977 -3236 -4450 SU 20230725T115831.4Z 8606.498974 351 1 51.77 2 66.80 83.49 143.94 40.56 0.00 1 0.00 1 0 25 1.197e-01 1.407e-02 1.750e-02 2.617e-03 3.632006e-01 1.387615e-03 4.292493e-03 -6.000000e+00 7.230853e-02 232.55 -2.00 3.51 -2.00 318.30 0.00e+00 8.821465e-04 2.695787e-04 2.023135e-04 -6.000000e+00 3.274803e-03 289.81 -2.00 20.00 -2.00 317.43 0.00e+00 2.518 0.000 302.00 328.00 3 4.7416e+00 3.7755e-03 3.1820e-02 -6.0000e+00 1.8116e-01 2.6700e-02 4.2932e-03 1.9303e-02 -6.0000e+00 1.9526e-01 -2.2468e-02 2.7661e-03 9.2909e-03 -6.0000e+00 1.1656e-01 9.0438e-03 1.4075e-03 2.6944e-03 -6.0000e+00 4.9076e-02 2.3250e-04 -7.1894e-04 8.0735e-05 3.1556e-05 -6.0000e+00 3.5772e-03 -2.4482e-03 0.0000e+00 12 9 8 11 32 0 28.78 22.63 0.34 -0.00245 -0.00785 14 3 1 5 0 3695.090 26.00 19.98 22.63 35.18 37.0 1100.00 -27572 -26901 900000 -35122 17831 41506 -6358 92127 -19192 6471 -17813 -2151 -13428 -41692 31495 7573 -9414 14153 26705 2965 26397 -2867 7511 -14048 4187 -20 511 -870 -1048 -2750 -14 4750 1858 -9079 1376 5637 -2726 -3029 3662 5186 -3240 2542 -4812 -2983 -418 3994 -2579 -2447 2311 3376 284 -535 -2020 6171 -789 1384 4983 1153 1950 945 1500 3355 996 1656 2174 -3525 -178 -687 1652 2217 -1571 927 481 -2025 1841 -1005 650 3013 135 -3240 -2339 1141 -1210 -703 -2672 -536 -2208 -791 -1332 210 47 -281 281 1339 661 744 -241 -58 -438 -359 -338 -976 -72 1774 450 -401 -500 -586 -905 1625 355 -784 489 -100 -433 61 730 1214 361 -147 -1439 -347 -575 1230 361 410 -66 841 608 256 1212 539 147 656 722 -133 412 222 -167 -1268 -377 -538 -281 -412 -1664 -1834 900000 -2722 793 1394 -339 2144 -1415 404 -1444 -156 -1191 -5545 2483 845 -1334 1718 3031 439 3243 -468 1127 -2667 716 -4 97 -164 -191 -497 -3 903 399 -2281 318 1220 -650 -802 1066 1726 -1294 1038 -2173 -1359 -188 1745 -1189 -1121 1013 1484 132 -265 -1075 3239 -457 812 2915 702 1176 568 902 2055 661 1165 1591 -2686 -128 -476 1136 1618 -1277 785 419 -1788 1530 -808 482 2070 94 -2425 -1908 987 -1144 -696 -2789 -577 -2509 -925 -1587 248 54 -310 292 1322 652 769 -269 -70 -564 -480 -451 -1258 -87 2068 537 -501 -650 -787 -1259 2312 534 -1230 773 -158 -657 89 1017 1681 515 -219 -2227 -542 -892 1854 535 592 -92 1144 832 365 1809 839 236 1066 1204 -230 734 403 -308 -2363 -692 -967 -491 -710 SU 20230725T121047.7Z 8606.507497 375 1 51.06 2 64.49 85.39 142.47 44.72 0.00 1 0.00 1 0 17 9.104e-02 1.188e-02 1.127e-02 2.208e-03 3.325031e-01 1.165289e-03 3.921305e-03 -6.000000e+00 5.500828e-02 232.55 -2.00 3.51 -2.00 317.90 0.00e+00 -2.431164e-04 2.027110e-04 2.364946e-04 -6.000000e+00 2.462292e-03 289.81 -2.00 20.00 -2.00 317.03 0.00e+00 2.307 0.000 302.00 328.00 3 4.6844e+00 3.1420e-03 2.9093e-02 -6.0000e+00 1.3781e-01 9.3498e-04 3.5506e-03 1.7522e-02 -6.0000e+00 1.4855e-01 3.7490e-03 2.2063e-03 8.4574e-03 -6.0000e+00 8.8620e-02 -3.5308e-03 1.1034e-03 2.2913e-03 -6.0000e+00 3.7190e-02 3.1922e-04 -4.8438e-04 6.8265e-05 2.7511e-05 -6.0000e+00 2.7202e-03 -1.9671e-03 0.0000e+00 12 9 8 11 32 0 59.31 22.62 0.95 -0.00197 -0.00561 17 3 1 5 0 3003.060 26.00 19.98 22.62 35.27 36.8 1100.00 -23660 -22910 71597 -29422 2363 7880 -4823 39687 1638 -922 -17501 -4953 -13421 -25997 11641 -1994 2225 7219 14364 6816 7147 10280 2993 -12884 466 -2741 15216 -3056 -4014 -3915 -309 6165 -729 2159 -2876 8947 -4383 5354 1794 2888 -3646 1439 -3456 -1801 -1474 2117 -2524 1554 -306 1847 -1189 -1966 -1912 3402 3035 839 3030 903 1818 603 1093 3696 795 -1526 225 -3010 1679 -1477 931 976 -1376 745 514 -1473 849 -333 715 1964 -49 -2023 -1710 775 -1652 -694 -963 -549 -1775 -439 -828 -40 -180 -183 247 1575 1091 1042 21 203 68 -487 -27 -977 -212 1439 598 -127 -266 -420 -153 725 364 -797 -38 -18 -602 2 803 573 512 -108 -1140 -510 473 768 -118 -166 -186 992 479 84 726 261 554 475 259 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