File name: Pandora177s1_WestportCT_20230710_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T124842.0Z 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_20230710_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: 20230710 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 20230710T130855.1Z 8591.547860 5 1 21.13 2 51.41 93.12 42.31 227.35 0.00 1 0.00 1 0 25 1.629e-02 1.163e-02 1.083e-03 5.069e-04 2.178381e-01 2.720368e-04 2.609871e-03 -6.000000e+00 9.918814e-03 232.93 -2.00 3.51 -2.00 316.40 0.00e+00 9.831751e-04 3.144887e-05 2.995079e-04 -6.000000e+00 4.385541e-04 288.94 -2.00 20.00 -2.00 315.61 0.00e+00 1.599 0.000 302.00 328.00 3 1.9106e+00 7.1365e-04 1.9706e-02 -6.0000e+00 2.4896e-02 3.2685e-02 7.9158e-04 1.1290e-02 -6.0000e+00 2.6767e-02 -3.5060e-03 4.5868e-04 5.4329e-03 -6.0000e+00 1.5936e-02 -5.8247e-03 2.1361e-04 1.4986e-03 -6.0000e+00 6.7996e-03 1.2143e-02 5.8786e-05 1.5531e-05 1.8636e-05 -6.0000e+00 4.7972e-04 -5.6687e-03 0.0000e+00 12 9 9 12 1 1 99.80 25.05 0.36 -0.00567 -0.00523 182 92 1 5 0 114.520 28.10 20.00 25.05 26.66 23.8 1040.16 1614 1007 566 -3066 -3329 -3622 -528 522 -1039 -4230 -5318 -3890 -1293 -122 824 422 262 1747 1412 2386 962 758 1533 2099 1904 1094 -283 -1218 -620 -740 1344 1622 1188 -3209 -5800 -4695 -3747 -1015 -395 -635 -755 21 417 223 782 464 -253 -660 -995 -309 1022 870 1084 1020 516 1407 490 -105 -421 191 1195 2271 2720 2154 191 -1308 -1390 -952 1735 1277 937 1431 1124 1255 109 -1321 -2558 -3167 -1984 -2236 -2386 -2415 -2812 -1566 -380 334 1292 1216 1583 1262 585 -831 -1618 -663 -525 -279 643 1312 585 -417 -1418 -2051 -993 -538 -1599 -1782 -980 -836 729 1459 1457 1010 670 43 -364 -279 70 168 958 586 707 749 1092 723 928 -542 -668 410 26 -244 -932 -1204 -531 -16 337 122 630 723 490 -83 -615 -1555 297 199 111 -579 -573 -603 -91 99 -218 -936 -1185 -888 -319 -34 231 127 82 556 466 803 332 262 533 761 726 428 -109 -448 -215 -253 472 613 475 -1335 -2367 -1893 -1648 -513 -215 -391 -502 14 291 157 546 322 -172 -439 -651 -202 694 630 825 805 387 1066 378 -81 -321 146 939 1897 2423 1998 176 -1130 -1114 -756 1454 1195 946 1375 1155 1235 100 -1111 -2152 -2602 -1708 -1987 -2363 -2412 -2989 -1736 -445 386 1558 1496 1918 1572 678 -884 -1730 -695 -543 -316 796 1632 761 -533 -1824 -2469 -1163 -658 -1974 -2330 -1328 -1178 1065 2095 2161 1493 945 60 -472 -370 93 220 1333 862 1059 1105 1551 988 1205 -726 -863 534 33 -337 -1343 -1769 -795 -23 518 196 1035 1203 817 -137 -979 -2419 SS 20230710T131316.5Z 8591.550885 8 1 19.34 2 50.59 93.88 42.90 228.65 0.00 1 0.00 1 0 25 1.615e-02 1.182e-02 6.759e-04 3.297e-04 2.144514e-01 1.768893e-04 2.569058e-03 -6.000000e+00 9.828266e-03 232.93 -2.00 3.51 -2.00 316.25 0.00e+00 9.632824e-04 1.975069e-05 2.683409e-04 -6.000000e+00 4.348990e-04 288.94 -2.00 20.00 -2.00 315.46 0.00e+00 1.572 0.000 302.00 328.00 3 1.0240e+00 4.6341e-04 1.9381e-02 -6.0000e+00 2.4668e-02 2.8364e-02 5.1423e-04 1.1122e-02 -6.0000e+00 2.6528e-02 -4.4161e-03 2.9679e-04 5.3512e-03 -6.0000e+00 1.5793e-02 -5.8643e-03 1.3679e-04 1.4794e-03 -6.0000e+00 6.7328e-03 3.0571e-02 2.3846e-04 1.0065e-05 1.8855e-05 -6.0000e+00 4.7576e-04 -4.7974e-04 0.0000e+00 12 9 9 12 1 1 99.10 24.61 0.34 -0.00048 0.00131 416 211 1 5 0 45.970 27.78 20.00 24.61 27.53 23.3 1043.86 2248 967 -38 -3027 -3879 -2756 -1219 335 -1450 -3696 -5166 -3165 -1381 186 1061 52 338 1574 1684 2271 1114 1012 1636 2114 1643 896 -618 -795 -794 -474 1145 1622 760 -3520 -5568 -4858 -3578 -1179 -193 -613 -497 25 278 280 857 504 -273 -514 -1086 -29 838 952 1125 964 535 1239 553 -190 -299 130 1304 2373 2817 2205 81 -1244 -1545 -824 1641 1348 977 1430 1154 1287 -95 -1477 -2689 -3393 -2005 -2276 -2339 -2491 -2807 -1586 -370 378 1304 1275 1606 1311 421 -773 -1621 -644 -580 -242 649 1275 568 -466 -1453 -2102 -1031 -557 -1582 -1799 -1003 -785 726 1386 1432 1088 669 27 -405 -381 13 180 995 514 724 770 1185 786 887 -606 -672 468 -7 -204 -893 -1134 -447 -18 289 126 656 707 532 -142 -530 -1601 436 202 -8 -600 -705 -479 -223 68 -322 -856 -1209 -756 -361 49 312 17 111 526 580 800 401 364 595 802 657 366 -249 -303 -286 -168 421 639 318 -1522 -2349 -2040 -1642 -625 -109 -393 -343 18 201 204 619 362 -192 -353 -734 -20 591 713 817 727 415 972 440 -150 -235 102 1060 2050 2592 1958 77 -1102 -1274 -673 1424 1303 944 1414 1132 1207 -90 -1275 -2146 -2655 -1645 -2092 -2219 -2566 -3073 -1811 -416 451 1619 1612 1997 1561 500 -842 -1649 -645 -618 -283 772 1632 757 -610 -1783 -2592 -1241 -655 -2012 -2422 -1398 -1066 1024 2048 2181 1647 965 37 -536 -484 16 242 1424 730 1043 1091 1616 1100 1180 -776 -832 584 -10 -289 -1238 -1602 -645 -27 456 196 1041 1136 856 -225 -863 -2556 SS 20230710T131723.3Z 8591.553742 11 1 38.68 2 49.81 94.61 43.46 229.85 0.00 1 0.00 1 0 17 1.650e-02 1.172e-02 4.665e-04 2.042e-04 2.107927e-01 1.085024e-04 2.522234e-03 -6.000000e+00 1.003615e-02 232.93 -2.00 3.51 -2.00 316.60 0.00e+00 1.035209e-03 1.316348e-05 3.167928e-04 -6.000000e+00 4.444359e-04 288.94 -2.00 20.00 -2.00 315.78 0.00e+00 1.547 0.000 302.00 328.00 3 5.6678e-01 2.8564e-04 1.9062e-02 -6.0000e+00 2.5189e-02 2.3994e-02 3.1769e-04 1.0924e-02 -6.0000e+00 2.7094e-02 -3.3888e-03 1.8416e-04 5.2696e-03 -6.0000e+00 1.6130e-02 -6.7257e-03 8.6483e-05 1.4671e-03 -6.0000e+00 6.8715e-03 4.9931e-02 2.8044e-04 6.2599e-06 1.7150e-05 -6.0000e+00 4.8621e-04 3.9198e-03 0.0000e+00 12 8 8 10 0 0 9.86 24.17 0.34 0.00392 0.00603 1481 341 1 5 0 25.830 27.45 19.97 24.17 28.60 23.2 1050.65 1869 939 -365 -3478 -3865 -3223 -906 216 -1489 -4297 -5375 -3605 -1728 -63 634 133 204 1556 1511 2305 1025 804 1603 1915 1766 700 -626 -1038 -793 -523 1308 1603 673 -3555 -5680 -4751 -3641 -1044 -277 -746 -579 -107 236 262 897 454 -117 -549 -958 -79 984 985 1109 980 556 1315 473 -200 -331 176 1297 2336 2808 2246 121 -1268 -1510 -794 1779 1387 1015 1499 1182 1271 -124 -1444 -2720 -3293 -2036 -2252 -2361 -2471 -2792 -1521 -293 434 1337 1324 1673 1359 453 -918 -1632 -651 -615 -233 674 1341 486 -524 -1536 -2127 -1022 -599 -1626 -1804 -992 -806 753 1404 1453 1016 615 -59 -492 -400 -30 167 978 563 751 759 1165 758 848 -652 -634 458 -2 -207 -882 -1193 -448 27 330 183 698 747 534 -98 -577 -1594 313 168 -65 -591 -600 -482 -142 37 -283 -854 -1075 -739 -387 -16 176 39 63 486 488 759 345 271 545 680 658 267 -234 -368 -266 -173 447 589 262 -1427 -2226 -1854 -1560 -469 -145 -442 -368 -71 157 176 596 300 -75 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