File name: Pandora177s1_WestportCT_20240510_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T054345.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20240510_L1_smca1c7d20230401p1-8.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: 20240510 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]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20240510T144313.6Z 8896.613351 217 1 50.33 2 35.69 121.17 55.13 81.83 0.00 1 0.00 1 0 17 2.002e-02 1.221e-02 9.765e-03 3.589e-03 2.229707e-01 1.899339e-03 2.704239e-03 -6.000000e+00 1.207573e-02 230.77 -2.00 3.51 -2.00 317.12 0.00e+00 9.729598e-04 2.556855e-04 4.316644e-04 -6.000000e+00 5.260637e-04 283.08 -2.00 20.00 -2.00 316.39 0.00e+00 1.230 0.000 302.00 328.00 3 5.8751e+00 5.0094e-03 1.7044e-02 -6.0000e+00 3.0207e-02 5.7282e-02 5.5957e-03 1.1468e-02 -6.0000e+00 3.2582e-02 -4.4194e-03 3.3077e-03 5.6220e-03 -6.0000e+00 1.9362e-02 -7.3639e-03 1.5872e-03 1.5974e-03 -6.0000e+00 8.2356e-03 3.2188e-04 4.8286e-04 1.1182e-04 1.8846e-05 -6.0000e+00 5.8944e-04 1.1174e-03 0.0000e+00 12 8 8 10 0 0 99.84 22.89 0.48 0.00112 0.00475 14 3 1 5 0 3594.440 26.21 19.99 22.89 16.85 24.3 981.93 -772 2999 -1001 -67 -3224 -3804 -10 -2041 -780 -8681 -8564 -5081 -57 380 263 -782 -159 393 2497 2804 -1422 1847 1329 3417 977 1923 -2843 -1849 -1190 1012 3110 906 1442 -4783 -4388 -4498 -3443 -2429 -475 -419 453 251 632 1709 830 -8 -790 -202 -1823 -352 1555 1414 770 748 2045 1755 200 -99 -1930 -467 829 3020 2266 2372 40 -981 -1864 -857 2067 458 1020 1311 1578 956 141 -2204 -2846 -4248 -2592 -2039 -2644 -1918 -2580 -886 -598 786 656 1815 1831 1104 633 -1342 -2189 -586 -991 -1048 1107 860 -64 -539 -1415 -2022 -1358 -529 -2075 -1199 -1031 -284 671 1755 1479 937 564 -142 -165 -1165 -210 -137 866 871 952 1233 837 748 79 -540 -1561 663 -62 -228 -500 -1093 -525 289 369 -248 492 917 321 165 -623 -1602 -103 406 -139 -9 -411 -474 -1 -299 -122 -1493 -1466 -879 -10 79 61 -196 -41 104 669 769 -410 514 378 999 307 605 -908 -551 -334 276 876 281 468 -1631 -1424 -1470 -1236 -1022 -230 -228 262 151 386 1036 506 -5 -472 -116 -1047 -202 920 891 513 516 1424 1248 145 -71 -1396 -335 614 2351 1900 2047 34 -780 -1391 -635 1621 404 958 1258 1489 865 118 -1704 -2026 -3000 -1923 -1681 -2433 -1896 -2716 -967 -695 960 841 2333 2315 1339 710 -1390 -2124 -558 -1013 -1179 1341 1128 -88 -715 -1753 -2346 -1547 -629 -2678 -1617 -1446 -413 1017 2773 2411 1518 868 -202 -217 -1492 -270 -186 1241 1310 1449 1836 1207 1033 105 -681 -1924 818 -81 -320 -727 -1627 -798 456 613 -432 872 1635 574 288 -1056 -2657 SS 20240510T144800.3Z 8896.616670 220 1 5.71 2 34.93 122.62 54.26 82.49 0.00 1 0.00 1 0 17 1.840e-02 1.209e-02 8.412e-03 4.395e-03 2.165511e-01 2.351334e-03 2.614941e-03 -6.000000e+00 1.109979e-02 230.77 -2.00 3.51 -2.00 315.98 0.00e+00 7.497966e-04 2.449093e-04 2.046173e-04 -6.000000e+00 4.836051e-04 283.08 -2.00 20.00 -2.00 315.31 0.00e+00 1.219 0.000 302.00 328.00 3 4.8960e+00 6.1062e-03 1.6713e-02 -6.0000e+00 2.7765e-02 4.6233e-02 6.7697e-03 1.1123e-02 -6.0000e+00 2.9949e-02 -3.6931e-03 3.9047e-03 5.4224e-03 -6.0000e+00 1.7798e-02 -6.9865e-03 1.7921e-03 1.5164e-03 -6.0000e+00 7.5693e-03 8.8209e-04 9.3709e-05 1.3377e-04 1.9824e-05 -6.0000e+00 5.4188e-04 1.8873e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.88 0.40 0.00189 0.00259 2 6 1 5 0 1901.560 26.21 19.99 22.88 17.18 24.4 985.03 5125 3092 2086 -3981 -4107 -7332 1903 -1643 -1825 -3660 -5175 490 -1244 183 -2291 669 -796 1745 874 3580 1305 -288 1424 1983 2762 564 -834 -906 719 316 2937 2076 -548 -3421 -6022 -3199 -3691 -2810 1031 -294 -734 -615 877 -661 794 387 -730 -849 -1025 1041 649 1388 1261 753 -70 713 495 -437 -313 162 2579 1368 1655 1889 255 -998 -867 -1035 2599 1455 1522 2156 969 1858 -924 -1647 -2415 -3022 -1012 -2360 -1694 -3034 -2510 -1604 -102 261 619 999 1871 1493 744 -1153 -2094 -601 -333 -728 361 1453 -153 -421 -1290 -1916 -907 -727 -1529 -1613 -444 -913 965 1322 1700 935 848 -21 -263 -669 146 266 946 -162 547 548 1323 245 914 152 -299 561 -157 -420 -646 -897 -172 103 219 200 122 1060 724 -609 -980 -1312 1050 684 459 -858 -806 -1441 365 -366 -440 -915 -1307 122 -351 55 -776 235 -293 646 337 1378 518 -116 573 833 1140 241 -370 -379 280 122 1164 894 -254 -1525 -2786 -1445 -1755 -1567 617 -200 -512 -445 636 -488 576 279 -517 -584 -729 734 459 1035 989 614 -56 577 404 -356 -264 136 2114 1218 1571 1759 245 -892 -755 -904 2271 1361 1523 2199 987 1789 -884 -1427 -2022 -2485 -869 -2183 -1648 -3239 -2698 -1803 -121 314 778 1270 2323 1772 855 -1278 -2174 -613 -361 -833 449 1851 -205 -547 -1563 -2271 -1051 -885 -1922 -2141 -582 -1254 1371 1895 2498 1369 1223 -28 -341 -834 183 350 1271 -231 786 773 1788 333 1177 195 -373 708 -203 -579 -884 -1251 -244 153 328 313 196 1705 1166 -969 -1509 -1964 SS 20240510T145207.2Z 8896.619528 223 1 42.03 2 34.28 123.91 53.51 83.07 0.00 1 0.00 1 0 17 1.534e-02 1.104e-02 2.232e-03 9.661e-04 2.142676e-01 5.127978e-04 2.559592e-03 -6.000000e+00 9.250612e-03 230.77 -2.00 3.51 -2.00 316.66 0.00e+00 1.074812e-03 6.192078e-05 2.851239e-04 -6.000000e+00 4.029646e-04 283.08 -2.00 20.00 -2.00 315.95 0.00e+00 1.209 0.000 302.00 328.00 3 3.8409e+00 1.3438e-03 1.6518e-02 -6.0000e+00 2.3140e-02 3.9026e-02 1.4980e-03 1.0932e-02 -6.0000e+00 2.4959e-02 -3.6722e-03 8.7121e-04 5.3467e-03 -6.0000e+00 1.4832e-02 -6.5530e-03 4.0895e-04 1.5518e-03 -6.0000e+00 6.3092e-03 2.5731e-03 3.6790e-04 2.9671e-05 1.7616e-05 -6.0000e+00 4.5150e-04 7.0553e-04 0.0000e+00 12 9 9 12 1 1 99.99 22.86 0.39 0.00071 0.00347 98 26 1 5 0 424.440 26.21 20.00 22.86 17.71 24.5 988.42 1332 923 -818 -3408 -3474 -1343 -963 1157 -1353 -4087 -5004 -3433 -934 -314 798 10 969 1261 1406 2000 337 1130 1240 2294 1093 979 -1590 -1285 -623 -795 1613 1362 1080 -3746 -4826 -4471 -3081 -1102 -585 -656 -637 48 -67 392 563 253 -114 -613 -857 -174 1128 746 1297 869 821 1316 371 -326 -282 321 1234 2286 2739 2142 -70 -1006 -1443 -619 1852 1029 1015 1101 1162 1252 -61 -1412 -2582 -2885 -1818 -1985 -2354 -2340 -2857 -1394 -325 346 1196 1122 1564 1106 406 -1016 -1409 -432 -409 -250 562 1286 343 -461 -1588 -1885 -794 -390 -1714 -1705 -1005 -896 943 1313 1513 951 683 -152 -256 -262 -171 197 817 407 562 766 1036 744 810 -527 -556 358 76 -306 -889 -1169 -364 75 275 140 615 755 343 -44 -691 -1487 224 165 -146 -576 -534 -196 -150 197 -254 -803 -987 -696 -206 -78 219 3 292 391 449 653 113 374 416 799 403 366 -590 -448 -205 -259 540 492 410 -1476 -1835 -1702 -1283 -532 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