File name: Pandora177s1_WestportCT_20240502_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T181219.1Z 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_20240502_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: 20240502 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 20240502T162721.6Z 8888.685667 357 1 49.43 2 25.93 167.30 81.84 239.96 0.00 1 0.00 1 0 17 1.625e-02 1.201e-02 5.555e-03 2.674e-03 1.807886e-01 1.413272e-03 2.186043e-03 -6.000000e+00 9.782189e-03 230.10 -2.00 3.51 -2.00 316.42 0.00e+00 1.018525e-03 1.604906e-04 2.545604e-04 -6.000000e+00 4.255121e-04 282.21 -2.00 20.00 -2.00 315.73 0.00e+00 1.112 0.000 302.00 328.00 3 5.6739e+00 3.6896e-03 1.4586e-02 -6.0000e+00 2.4437e-02 6.6961e-02 4.1052e-03 9.2263e-03 -6.0000e+00 2.6373e-02 -7.4314e-03 2.3720e-03 4.5045e-03 -6.0000e+00 1.5673e-02 -6.5439e-03 1.0997e-03 1.3041e-03 -6.0000e+00 6.6730e-03 4.8294e-04 3.8445e-04 8.2653e-05 1.5502e-05 -6.0000e+00 4.7837e-04 2.7871e-03 0.0000e+00 12 8 8 10 0 0 99.98 23.05 0.35 0.00279 0.00568 22 5 1 5 0 2246.270 26.41 20.00 23.05 22.94 24.4 1022.49 785 770 2573 -2106 -3069 -1793 836 2784 -1508 -3760 -5110 -4176 186 1094 822 -963 1971 1330 1594 1081 1216 -640 -79 2170 2301 241 -1348 -1544 -1394 -626 1084 434 1296 -3097 -4869 -4728 -3122 -945 -9 -933 -779 -218 246 102 467 1515 110 -734 -1798 -297 530 1136 928 1193 597 1871 797 -293 -861 220 1093 2189 3023 2408 227 -1088 -2370 -106 2396 1019 587 1466 891 1546 -414 -1634 -2594 -3126 -2315 -2741 -2505 -2979 -2964 -1228 236 282 1236 1590 1675 1029 346 -700 -1262 -316 -496 -20 685 1193 268 -683 -1751 -1830 -735 -444 -1733 -1637 -1114 -846 827 1395 1959 1075 629 -155 -151 -512 -322 -134 626 687 412 776 1092 877 503 -598 -975 508 -404 -686 -929 -897 -523 235 583 274 819 546 455 118 -744 -1294 161 166 534 -420 -560 -311 150 547 -333 -857 -1166 -975 46 301 250 -315 644 448 549 384 434 -231 -29 804 888 96 -525 -566 -481 -210 373 160 494 -1215 -1851 -1947 -1291 -451 -5 -584 -521 -150 171 71 323 1022 73 -473 -1141 -187 345 778 667 881 452 1420 614 -226 -659 167 861 1827 2662 2188 203 -903 -1992 -87 2073 913 565 1435 866 1427 -389 -1398 -2039 -2397 -1864 -2463 -2483 -2956 -3103 -1332 270 343 1562 2035 2109 1243 386 -773 -1294 -318 -530 -24 802 1497 350 -870 -2091 -2211 -870 -551 -2153 -2142 -1510 -1188 1199 2109 3019 1646 913 -208 -203 -660 -420 -183 912 973 595 1099 1612 1240 679 -772 -1218 637 -541 -972 -1359 -1329 -790 369 885 434 1326 898 748 191 -1168 -2149 SS 20240502T163650.6Z 8888.692253 360 1 3.45 2 25.62 172.50 83.32 241.61 0.00 1 0.00 1 0 17 1.629e-02 1.320e-02 5.392e-03 3.640e-03 1.810397e-01 1.958616e-03 2.201350e-03 -6.000000e+00 9.802774e-03 230.10 -2.00 3.51 -2.00 315.01 0.00e+00 7.109293e-04 1.664722e-04 1.227581e-04 -6.000000e+00 4.265139e-04 282.21 -2.00 20.00 -2.00 314.43 0.00e+00 1.109 0.000 302.00 328.00 3 4.3628e+00 5.0318e-03 1.4590e-02 -6.0000e+00 2.4488e-02 6.7989e-02 5.5572e-03 9.2799e-03 -6.0000e+00 2.6430e-02 -1.2004e-02 3.1879e-03 4.5154e-03 -6.0000e+00 1.5707e-02 -4.0697e-03 1.4079e-03 1.2644e-03 -6.0000e+00 6.6859e-03 1.8000e-03 -2.3062e-04 1.1021e-04 1.8061e-05 -6.0000e+00 4.7952e-04 4.2442e-03 0.0000e+00 12 9 9 12 1 1 999.00 23.09 0.48 0.00424 0.00251 2 10 1 5 0 1147.380 26.51 20.00 23.09 23.13 24.5 1023.48 1281 1880 610 -2562 -3948 -2114 -2574 1120 -523 -3400 -3219 -2925 149 958 1545 -29 -4 1402 2436 1551 551 901 796 2345 2455 1485 -1241 -682 -451 185 2420 2263 891 -4351 -4918 -4649 -3505 -2117 -203 -193 -430 -4 172 31 1271 201 -409 -991 -333 83 1527 1471 928 550 452 640 105 -704 -565 0 1630 1844 2409 2422 -646 -1414 -1810 -1081 1939 888 1417 1544 1305 1926 112 -1332 -2314 -3476 -2031 -2079 -2125 -2829 -3148 -2056 -443 764 1140 1227 1617 1538 936 -814 -955 -85 -132 -959 936 1177 665 -16 -1920 -2706 -1421 -478 -2016 -1683 -1212 -648 1242 1698 1641 1286 735 44 165 -625 142 140 808 699 750 470 1324 759 512 -927 -765 -114 139 -394 -921 -743 -560 129 304 116 579 974 637 -372 -750 -1550 425 597 210 -835 -1180 -597 -777 363 -186 -1258 -1174 -1095 54 391 690 -14 -2 697 1230 747 270 437 391 1184 1293 798 -662 -339 -228 91 1208 1208 464 -2352 -2544 -2597 -1971 -1384 -142 -141 -337 -3 141 26 1026 162 -321 -754 -262 65 1239 1178 782 480 403 578 95 -641 -507 0 1498 1696 2345 2420 -642 -1297 -1640 -966 1821 875 1486 1563 1390 1951 107 -1234 -1968 -2895 -1762 -2004 -2125 -3077 -3413 -2324 -526 903 1409 1539 1992 1809 1079 -861 -992 -87 -143 -1074 1128 1441 844 -20 -2381 -3154 -1616 -566 -2452 -2152 -1606 -841 1658 2368 2349 1821 989 58 199 -772 176 172 1058 967 1000 653 1761 971 661 -1149 -911 -137 176 -502 -1214 -991 -764 182 428 171 870 1477 968 -559 -1091 -2205 SS 20240502T165035.2Z 8888.701796 367 1 40.53 2 25.45 180.17 85.51 243.96 0.00 1 0.00 1 0 17 1.527e-02 1.177e-02 8.050e-04 4.627e-04 1.788185e-01 2.472155e-04 2.154265e-03 -6.000000e+00 9.190162e-03 230.10 -2.00 3.51 -2.00 315.66 0.00e+00 8.182758e-04 2.400209e-05 1.573906e-04 -6.000000e+00 3.996974e-04 282.21 -2.00 20.00 -2.00 315.02 0.00e+00 1.107 0.000 302.00 328.00 3 2.7744e+00 6.3986e-04 1.4484e-02 -6.0000e+00 2.2958e-02 4.7349e-02 7.0869e-04 9.1313e-03 -6.0000e+00 2.4776e-02 -7.6464e-03 4.0694e-04 4.4476e-03 -6.0000e+00 1.4724e-02 -5.4364e-03 1.8388e-04 1.2647e-03 -6.0000e+00 6.2698e-03 8.9176e-03 8.0523e-05 1.4186e-05 1.6581e-05 -6.0000e+00 4.4935e-04 1.8934e-03 0.0000e+00 12 9 9 12 1 1 99.98 23.15 0.37 0.00189 0.00250 253 70 1 5 0 159.520 26.51 20.01 23.15 24.35 24.6 1031.87 2232 570 -196 -3268 -3085 -2353 -324 1127 -503 -3234 -4559 -2451 -1003 211 715 -81 271 1432 1843 2115 778 882 1546 1891 1809 980 -533 -817 -294 -50 1614 1620 788 -3622 -5437 -4523 -3383 -874 -233 -867 -793 -220 67 39 773 193 -243 -570 -997 32 895 965 1111 997 473 1314 410 -256 -182 227 1205 2168 2632 2090 -70 -1344 -1445 -726 1800 1313 896 1432 1146 1324 31 -1304 -2473 -3049 -1792 -2248 -2455 -2619 -2986 -1572 -372 323 1146 1240 1583 1226 525 -743 -1501 -395 -403 -183 699 1351 544 -446 -1415 -2019 -965 -596 -1739 -1853 -1057 -841 761 1439 1450 1009 579 11 -362 -247 -58 148 935 444 667 629 1096 724 939 -571 -556 569 2 -243 -837 -1138 -418 -13 302 100 674 719 418 -104 -576 -1604 558 153 -52 -818 -697 -508 -73 279 -136 -912 -1286 -697 -309 72 269 -33 111 594 782 918 344 388 683 869 790 436 -256 -369 -124 -21 682 730 373 -1768 -2572 -2120 -1730 -467 -145 -610 -597 -171 53 31 601 149 -183 -414 -708 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