File name: Pandora177s1_WestportCT_20231122_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T034836.8Z 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_20231122_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: 20231122 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 20231122T141207.5Z 8726.591753 167 1 17.38 2 70.15 143.25 137.67 32.94 0.00 1 0.00 1 0 17 1.271e-01 1.571e-02 8.728e-02 8.824e-03 3.586476e-01 4.575408e-03 4.597765e-03 -6.000000e+00 7.452609e-02 223.10 -2.00 3.51 -2.00 319.19 0.00e+00 5.004152e-03 1.137748e-03 1.861870e-03 -6.000000e+00 3.290196e-03 279.59 -2.00 20.00 -2.00 318.57 0.00e+00 2.914 0.000 302.00 328.00 3 4.8572e+00 1.2627e-02 3.4544e-02 -6.0000e+00 1.8334e-01 5.8696e-02 1.4627e-02 1.8893e-02 -6.0000e+00 1.9891e-01 -1.1365e-02 1.0723e-02 1.1406e-02 -6.0000e+00 1.1868e-01 -4.4653e-03 5.6264e-03 5.2379e-03 -6.0000e+00 5.1173e-02 1.4177e-04 9.0308e-05 2.7666e-04 6.5461e-05 -6.0000e+00 3.7326e-03 -3.8355e-03 0.0000e+00 12 9 9 12 9 1 99.96 22.96 0.20 -0.00384 -0.00316 4 3 1 5 0 3475.470 26.32 20.01 22.96 13.13 22.2 939.70 -38580 -61661 73522 6838 -23416 -38385 -25843 -937 -41243 50979 -31804 -2733 -22327 -20089 -6152 12852 -1140 -14247 16747 86 17974 10048 10180 254 5586 495 341 -9468 571 9440 -11348 10737 4065 109 -302 -4748 3259 1176 -4908 -815 -3131 -3148 5282 2007 846 1817 -1526 2448 -3383 3241 1070 1049 4525 -258 5307 -244 729 -1210 453 -3077 777 1054 3215 2594 349 1173 -515 1101 3387 4273 2459 1183 261 1095 888 -2181 -1622 -2797 -3279 -6939 -2604 -2513 -3950 -908 440 -354 1329 1174 777 894 392 -794 -2467 -1037 98 -176 821 1661 851 -649 -2107 -2911 -1888 1469 -1506 -1528 -2289 -389 574 1935 2420 182 36 -296 -454 -1867 1392 -522 1658 1063 305 857 1786 1892 280 -131 -1116 225 -543 -1134 -661 -1609 -683 744 -272 -534 901 1119 840 235 -705 -1377 -1660 -3682 1226 210 -894 -1651 -1042 -33 -2329 1179 -1727 -122 -1441 -1534 -480 926 -102 -1540 1396 9 1556 940 969 28 613 58 40 -1176 63 995 -1635 1397 612 17 -46 -766 538 235 -1235 -224 -956 -1014 1616 646 279 599 -520 799 -1181 1098 397 421 1869 -117 2346 -116 347 -582 211 -1502 385 569 1858 1596 218 686 -292 624 2063 2879 1811 905 198 781 584 -1337 -920 -1610 -2074 -5190 -2103 -2224 -3785 -841 428 -370 1432 1289 844 927 402 -756 -2261 -954 97 -197 954 2096 1129 -852 -2593 -3325 -2208 1733 -1840 -1974 -3125 -550 861 3081 4021 312 59 -457 -655 -2633 1928 -775 2564 1722 499 1363 2717 2766 398 -178 -1495 309 -816 -1854 -1129 -2859 -1246 1408 -518 -1064 1813 2269 1698 465 -1420 -2690 SS 20231122T142950.2Z 8726.604053 176 1 3.04 2 68.25 147.21 135.74 38.43 0.00 1 0.00 1 0 17 4.907e-02 1.233e-02 3.169e-02 6.065e-03 3.356776e-01 3.124810e-03 4.065736e-03 -6.000000e+00 2.878708e-02 223.10 -2.00 3.51 -2.00 318.09 0.00e+00 2.460179e-03 5.707399e-04 6.540724e-04 -6.000000e+00 1.270385e-03 279.58 -2.00 20.00 -2.00 317.45 0.00e+00 2.675 0.000 302.00 328.00 3 3.3747e+00 8.2806e-03 3.1544e-02 -6.0000e+00 7.0821e-02 1.9662e-02 9.3777e-03 1.6954e-02 -6.0000e+00 7.6823e-02 4.4302e-03 6.1671e-03 8.7368e-03 -6.0000e+00 4.5837e-02 -6.6322e-03 3.2193e-03 3.0528e-03 -6.0000e+00 1.9773e-02 8.2834e-04 -5.0361e-04 1.8521e-04 3.2255e-05 -6.0000e+00 1.4412e-03 -6.4195e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.97 0.48 -0.00642 -0.01020 2 11 1 5 0 1011.430 26.32 20.05 22.97 13.22 22.2 940.30 -4757 20865 -9321 3233 -8868 -7838 -33457 -7019 -7972 -12379 -8340 -10254 10034 -10438 6298 -4462 12785 -448 -1079 2432 2555 4979 -1795 5046 -3156 275 -7581 -2790 3326 3832 1975 -472 5539 -7085 -7222 -4859 -6789 -544 797 973 -2584 2326 521 1375 -746 1307 -1136 799 1606 -2703 977 349 2958 816 858 1635 -209 475 -1579 708 915 3550 2840 1928 -466 56 -1250 -17 2244 1724 1581 1099 656 3 -669 -2134 -2230 -3329 -2064 -1988 -2608 -2292 -2860 -1229 352 -257 1350 1045 1648 1147 696 -722 -1113 -97 -638 -587 116 1068 584 -657 -1517 -1702 -231 383 -2089 -1977 -1226 -326 525 867 1969 460 1473 -330 -1186 -190 -352 212 1140 193 1084 722 802 824 1078 -929 97 328 -467 -881 -396 -1267 -286 344 -390 306 879 734 445 -113 -736 -1138 -280 1041 -637 184 -524 -446 -2634 -477 -598 -1007 -666 -902 838 -1273 754 -660 1701 -72 -172 413 440 839 -312 921 -624 54 -1580 -533 617 722 415 -107 1274 -1868 -1841 -1215 -1915 -171 279 388 -1163 1050 247 655 -346 629 -557 381 762 -1310 488 189 1666 492 535 1036 -130 290 -970 450 578 2374 2086 1437 -353 42 -894 -12 1719 1412 1397 958 567 2 -539 -1655 -1601 -2398 -1591 -1655 -2350 -2259 -2897 -1297 390 -292 1589 1257 1946 1302 769 -741 -1128 -98 -674 -663 145 1390 798 -889 -1917 -2069 -269 462 -2652 -2653 -1646 -456 779 1323 3116 716 2268 -483 -1692 -268 -483 304 1728 297 1668 1091 1215 1199 1496 -1303 131 456 -680 -1339 -628 -2086 -466 584 -680 553 1620 1325 801 -207 -1292 -2000 SS 20231122T144309.9Z 8726.613309 183 1 7.24 2 66.95 150.28 134.13 42.31 0.00 1 0.00 1 0 17 2.441e-02 1.135e-02 7.886e-03 1.736e-03 3.209752e-01 8.966918e-04 3.884731e-03 -6.000000e+00 1.432038e-02 223.10 -2.00 3.51 -2.00 317.92 0.00e+00 2.064084e-03 1.546285e-04 6.663886e-04 -6.000000e+00 6.318986e-04 279.58 -2.00 20.00 -2.00 317.27 0.00e+00 2.534 0.000 302.00 328.00 3 2.2650e+00 2.3678e-03 2.9932e-02 -6.0000e+00 3.5231e-02 1.6634e-02 2.6745e-03 1.6134e-02 -6.0000e+00 3.8215e-02 1.6031e-03 1.7137e-03 8.2529e-03 -6.0000e+00 2.2802e-02 -6.3999e-03 8.8441e-04 2.7368e-03 -6.0000e+00 9.8372e-03 2.9532e-03 -5.9112e-05 5.3094e-05 2.9530e-05 -6.0000e+00 7.1686e-04 -7.0517e-03 0.0000e+00 12 9 9 12 1 1 99.97 22.96 0.36 -0.00705 -0.00750 28 45 1 5 0 249.590 26.32 20.05 22.96 13.36 22.2 941.22 -2714 173 -1287 -7874 -5672 -8885 -4145 -4843 -4851 -10211 -8832 -5746 -6391 -1774 -884 -433 -616 2258 1856 2168 1666 932 1413 715 901 -625 -2071 -2056 -1997 -1249 936 825 957 -4245 -6594 -4901 -4281 -948 138 -299 -815 -728 358 -51 1027 878 875 197 -61 596 1545 792 1547 1464 908 1534 270 -637 -18 244 1630 2489 2860 1935 208 -1018 -751 -599 2028 1604 831 1579 784 1193 -450 -1355 -2674 -3412 -1911 -2503 -2498 -2496 -3009 -1659 -459 357 1345 1277 1571 1275 528 -733 -1763 -610 -583 222 631 1333 358 -535 -1701 -1925 -745 -424 -1538 -1843 -999 -828 713 1298 1455 771 318 -9 -315 -238 267 489 1141 477 659 949 1345 730 786 -662 -834 519 -208 -300 -1129 -1412 -471 110 134 131 654 625 659 -68 -522 -1475 -184 12 -95 -582 -377 -594 -283 -375 -410 -944 -821 -557 -721 -226 -129 -69 -105 394 340 411 322 182 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