File name: Pandora177s1_WestportCT_20231115_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T033857.5Z 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_20231115_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: 20231115 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 20231115T132132.5Z 8719.556626 89 1 13.21 2 74.98 132.09 99.56 118.91 0.00 1 0.00 1 0 25 2.505e-01 1.395e-02 2.445e-01 1.020e-02 4.525907e-01 5.473162e-03 5.486969e-03 -6.000000e+00 1.482020e-01 223.20 -2.00 3.51 -2.00 320.23 0.00e+00 7.360981e-03 1.940068e-03 1.672385e-03 -6.000000e+00 6.894010e-03 280.36 -2.00 20.00 -2.00 319.65 0.00e+00 3.785 0.001 302.00 328.00 3 4.0336e+00 1.6292e-02 4.4337e-02 -6.0000e+00 3.6483e-01 4.4691e-03 1.9998e-02 2.3667e-02 -6.0000e+00 3.9600e-01 1.9562e-02 1.7961e-02 1.6116e-02 -6.0000e+00 2.3541e-01 -2.4684e-02 9.1986e-03 9.1674e-03 -6.0000e+00 1.0196e-01 1.2717e-04 -9.3409e-04 3.2478e-04 1.0366e-04 -6.0000e+00 7.4997e-03 -6.4553e-03 0.0000e+00 12 9 9 12 1 1 99.40 23.11 0.56 -0.00646 -0.01347 4 4 1 5 0 2640.790 26.51 19.97 23.11 5.66 21.5 888.92 -15803 900000 -44424 212340 -47196 -22451 900000 -54730 117945 -20435 900000 14436 14434 -143 -33838 -50591 23654 16298 -32658 47983 28302 18540 -28010 -20856 41536 -1842 -18491 -24194 13944 -13288 17962 -11855 26168 43 -9183 1213 6477 5253 2987 6215 -3093 1776 3014 -7456 -4102 -1857 1538 -2161 317 -2988 4293 2162 -340 -719 1758 2023 1349 -144 5606 1600 1389 658 1365 3192 -242 -472 2535 -680 1088 1342 2702 1293 700 2029 -709 -3256 -2041 -2593 -2182 -159 -3190 -421 -3117 -2616 -590 -550 3040 1003 1759 -110 3639 -833 -1285 -569 -2193 1348 946 1783 -488 1310 -1192 -1805 648 -2187 -2245 -3431 543 -1591 918 569 1935 331 -140 -1722 -438 244 -1753 -241 1362 1404 1195 475 618 -250 2056 -285 -645 544 -202 -106 -545 -1974 -685 1169 -445 852 67 863 907 -1128 -68 -927 -157 900000 -701 2111 -690 -249 900000 -992 1173 -299 900000 177 219 -3 -1286 -2633 650 524 -1833 1263 927 672 -1654 -1207 1360 -96 -1135 -1556 620 -832 945 -977 1637 4 -822 99 553 541 376 869 -523 305 536 -1517 -828 -375 305 -452 66 -683 992 559 -97 -218 541 638 433 -46 1692 508 468 247 565 1400 -112 -210 1053 -300 521 719 1542 770 412 1118 -369 -1579 -918 -1190 -1106 -91 -2157 -307 -2512 -2226 -524 -492 2755 947 1629 -106 3130 -693 -1026 -464 -2006 1351 1018 2107 -622 1613 -1392 -1938 691 -2345 -2572 -4217 675 -2148 1311 889 3007 533 -221 -2747 -648 347 -2575 -366 2163 2314 1974 769 966 -380 2934 -398 -887 775 -318 -182 -953 -3646 -1303 2309 -946 1865 151 1961 2049 -2521 -143 -1885 SS 20231115T133809.0Z 8719.568160 99 1 48.24 2 72.73 135.45 96.98 121.35 0.00 1 0.00 1 0 17 1.862e-01 1.416e-02 1.797e-01 8.247e-03 4.108253e-01 4.339437e-03 5.216900e-03 -6.000000e+00 1.092461e-01 223.20 -2.00 3.51 -2.00 320.06 0.00e+00 3.167540e-03 1.401469e-03 2.594321e-03 -6.000000e+00 4.835646e-03 280.36 -2.00 20.00 -2.00 319.45 0.00e+00 3.319 0.001 302.00 328.00 3 4.6350e+00 1.2652e-02 4.0352e-02 -6.0000e+00 2.6875e-01 9.7755e-03 1.5178e-02 2.4635e-02 -6.0000e+00 2.9149e-01 -2.6747e-02 1.2675e-02 1.3172e-02 -6.0000e+00 1.7399e-01 4.2342e-03 6.5660e-03 4.1919e-03 -6.0000e+00 7.5073e-02 1.1662e-04 -5.6830e-04 2.6484e-04 6.6633e-05 -6.0000e+00 5.4686e-03 -4.8406e-03 0.0000e+00 12 8 8 10 0 0 99.95 23.11 0.43 -0.00484 -0.00911 22 5 1 5 0 2192.350 26.51 19.98 23.11 6.68 21.7 896.50 23022 2878 -65588 133057 61829 -68120 -23529 -22746 -47547 -68490 39361 34036 18082 -18473 -10480 1601 -14540 -1838 -22608 4329 21845 11950 12268 -2761 -2763 -18089 30016 2167 21212 237 -2906 7724 8455 -6168 -10906 -6482 -13425 -7856 1303 7005 -3377 1688 4686 888 -224 1172 -3541 -2628 -288 1329 6839 3915 626 3943 330 1224 -401 -419 868 4730 -418 1064 5937 1940 -1126 -1315 345 160 4004 2130 1171 3779 1096 -1044 -3239 -2922 -3234 -5154 -1129 146 -2182 -3191 -1852 -2062 -339 -524 2045 1212 3325 1540 998 -2907 -2408 -2174 -1842 -29 595 786 -62 914 -422 -2718 -1686 -2003 -1937 -1971 -781 -418 1239 2670 1735 1028 813 -667 -1428 -185 -633 97 408 -58 1030 746 1561 203 822 -725 -1129 428 -204 -47 -953 -1150 -1414 482 -711 124 762 1152 1281 -474 -133 -1377 272 46 -2141 1070 497 -1965 -467 -506 -1484 -2754 559 563 419 -751 -466 71 -825 -98 -1572 240 1033 627 703 -184 -196 -1540 1659 154 1226 18 -250 679 807 -694 -1250 -717 -1768 -1169 212 1232 -723 364 1015 204 -53 274 -870 -643 -70 333 1749 1123 200 1282 116 437 -147 -153 308 1623 -159 436 2554 927 -557 -621 154 73 1944 1181 707 2287 670 -618 -1804 -1470 -1525 -2494 -577 85 -1468 -2396 -1472 -1743 -300 -495 1981 1206 3198 1443 875 -2447 -1920 -1771 -1639 -29 655 952 -79 1137 -492 -2976 -1770 -2191 -2264 -2441 -1005 -567 1785 4110 2854 1726 1326 -1038 -2098 -259 -903 144 643 -95 1683 1192 2390 304 1249 -1069 -1636 636 -335 -79 -1698 -2126 -2728 964 -1522 274 1717 2615 2887 -1055 -281 -2827 SS 20231115T134244.5Z 8719.571349 102 1 21.64 2 72.13 136.40 96.28 122.04 0.00 1 0.00 1 0 25 5.338e-02 1.066e-02 1.114e-02 1.052e-03 3.902437e-01 5.445325e-04 4.769973e-03 -6.000000e+00 3.132645e-02 223.20 -2.00 3.51 -2.00 319.21 0.00e+00 2.579122e-03 1.393734e-04 1.490624e-03 -6.000000e+00 1.386498e-03 280.36 -2.00 20.00 -2.00 318.58 0.00e+00 3.214 0.001 302.00 328.00 3 1.4106e+00 1.5066e-03 3.7851e-02 -6.0000e+00 7.7065e-02 -2.3678e-02 1.7508e-03 2.0647e-02 -6.0000e+00 8.3582e-02 4.1815e-03 1.3315e-03 1.1053e-02 -6.0000e+00 4.9889e-02 -7.7641e-03 7.0500e-04 3.7671e-03 -6.0000e+00 2.1529e-02 3.3698e-03 -1.6783e-04 3.2615e-05 4.5103e-05 -6.0000e+00 1.5680e-03 -5.4450e-03 0.0000e+00 12 9 9 12 1 1 96.66 23.10 0.31 -0.00545 -0.00671 132 69 1 5 0 162.660 26.51 20.02 23.10 7.00 21.7 899.19 -5897 -5966 -10084 -15553 -23030 -23750 -23528 -18439 -12378 -17025 -12595 -13999 -10374 -6546 -7220 -3628 -3241 781 364 3576 -1239 -932 1192 -1347 -1363 -4386 -4948 -4398 -2133 -2690 225 -1030 -598 -4859 -7547 -6653 -5055 -1605 -117 -70 -416 -489 74 546 1177 1137 997 172 -336 990 1469 1988 2158 1289 801 1504 353 -570 -780 299 1436 2953 3368 2590 422 -837 -555 -468 2364 1796 1283 1653 660 768 -679 -1661 -3060 -3304 -2054 -2133 -2160 -2124 -2797 -1500 -202 334 1453 1410 1727 1210 451 -1038 -1984 -997 -888 -303 646 1440 489 -351 -1571 -2073 -814 -452 -1665 -1956 -1004 -666 829 1438 1305 661 393 -234 -495 -336 71 392 843 261 570 824 1309 778 766 -798 -660 511 -49 -450 -994 -1312 -448 -28 133 -55 755 908 654 -72 -422 -1212 -145 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