File name: Pandora55s1_QueensNY_20240901_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240902T052124.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240901_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20240901 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20240901T143505.0Z 9010.607697 218 1 9.68 2 45.18 126.77 30.05 136.81 0.00 1 0.00 1 0 17 1.038e-02 7.009e-03 4.027e-03 2.430e-03 1.966764e-01 1.288514e-03 2.387165e-03 -6.000000e+00 6.220360e-03 230.32 -2.00 3.51 -2.00 315.46 0.00e+00 -1.594752e-04 1.241207e-04 2.571363e-05 -6.000000e+00 2.796955e-04 288.96 -2.00 20.00 -2.00 314.73 0.00e+00 1.417 0.000 302.00 328.00 3 3.6541e+00 3.3313e-03 1.7502e-02 -6.0000e+00 1.5502e-02 6.7805e-03 3.6974e-03 1.0207e-02 -6.0000e+00 1.6741e-02 7.3045e-03 2.1130e-03 4.9769e-03 -6.0000e+00 1.0001e-02 -4.0266e-03 9.3703e-04 1.3758e-03 -6.0000e+00 4.2123e-03 2.6844e-03 -2.9378e-04 7.4452e-05 1.9508e-05 -6.0000e+00 3.0990e-04 -2.2366e-03 0.0000e+00 12 9 1 12 1 1 99.96 22.53 0.23 -0.00224 -0.00444 8 9 2 5 0 1075.270 26.11 20.01 22.53 33.29 38.1 1093.91 -1909 -813 -1279 -3212 -3106 1320 -2139 4880 1191 -652 -1331 670 832 554 976 -626 -763 520 2701 364 -293 1235 1666 576 414 14 474 -951 -209 1501 77 2346 -357 -1444 -1661 1255 -5 -184 774 -449 -1587 -876 -1434 -1233 -1159 -641 -1584 -339 -741 675 62 553 365 601 938 741 555 852 1075 586 1234 1662 1193 41 -50 -654 525 326 1634 1204 131 -163 -535 -484 -198 -261 101 815 507 264 -170 161 -2041 -1172 -853 -976 -911 -356 -361 -521 -227 -8 396 526 1628 1304 257 620 -43 -791 -868 -436 -52 1124 248 -686 -688 -398 -8 236 -329 -320 -432 -206 28 86 1308 1173 659 -66 -631 -250 74 -326 122 325 281 1216 986 287 437 278 59 70 226 -365 -177 208 -311 -493 -109 -312 -64 -255 -496 -226 -366 -908 -820 315 -530 1225 335 -196 -408 202 262 189 363 -252 -321 221 1154 162 -133 560 756 268 201 7 239 -473 -99 674 35 1079 -176 -736 -842 604 -3 -98 459 -298 -1145 -659 -1107 -963 -904 -498 -1226 -256 -550 492 45 418 287 487 777 624 475 731 919 498 1052 1447 1085 39 -49 -629 478 284 1407 1086 126 -166 -555 -501 -200 -253 92 699 425 227 -157 157 -2125 -1260 -944 -1124 -1088 -438 -451 -650 -278 -9 438 554 1672 1376 288 732 -53 -1016 -1109 -538 -62 1292 291 -845 -876 -520 -11 322 -465 -462 -626 -293 39 111 1633 1457 838 -88 -869 -351 104 -451 164 427 359 1504 1218 364 573 374 81 96 318 -529 -264 316 -478 -764 -167 -473 -95 -376 SS 20240901T145133.4Z 9010.619137 231 1 41.42 2 42.76 131.50 28.13 143.74 0.00 1 0.00 1 0 17 6.465e-02 3.545e-02 4.662e-03 2.570e-03 1.935889e-01 1.356567e-03 2.456548e-03 -6.000000e+00 3.864770e-02 230.32 -2.00 3.51 -2.00 315.76 0.00e+00 3.667757e-03 1.388368e-04 3.807382e-04 -6.000000e+00 1.741661e-03 288.96 -2.00 20.00 -2.00 315.01 0.00e+00 1.360 0.000 302.00 328.00 3 5.8032e+00 3.5149e-03 1.7224e-02 -6.0000e+00 9.6309e-02 5.1801e-02 3.9037e-03 1.1648e-02 -6.0000e+00 1.0411e-01 -3.1529e-02 2.2246e-03 5.1446e-03 -6.0000e+00 6.2183e-02 1.7567e-02 1.0011e-03 3.3625e-03 -6.0000e+00 2.6106e-02 3.2391e-04 -2.8894e-03 7.9051e-05 3.3650e-05 -6.0000e+00 1.9323e-03 1.7071e-02 0.0000e+00 12 9 9 12 1 1 99.98 22.52 0.30 0.01707 -0.00464 13 3 1 5 0 2957.590 26.11 20.02 22.52 34.06 38.3 1097.17 9156 4779 24914 2283 12472 15194 10959 19242 6629 378 -2154 1955 1098 5278 11985 4735 2466 -54622 13834 11722 5000 6635 7078 -952 1586 -1132 6130 -2861 -735 -501 3610 5571 5017 1459 2073 8272 624 670 1919 1112 -2377 -611 -3365 -1363 -1021 2668 -1432 3562 1165 2990 1859 1066 745 3129 2708 -343 2241 -498 -396 -1284 3 2043 1020 -937 432 -1213 1524 -237 904 1342 -169 381 47 -1704 344 -1334 -565 498 -313 -1330 -1878 551 -1299 -1264 -1632 -1056 -1631 -848 -922 19 -432 -356 13 836 416 823 -183 751 729 166 302 -118 368 1444 776 -602 -299 -699 601 1350 1020 -260 511 462 -272 180 403 1517 987 579 -857 -9291 1118 1280 623 413 150 677 437 -410 1236 1183 1107 927 938 -304 478 601 65 -764 -648 -357 -375 -639 2107 1244 5614 609 2810 3090 2290 3956 1642 103 -599 524 313 1604 3838 1752 974 -34462 5224 4628 2113 2774 2928 -426 712 -530 2715 -1326 -321 -211 1477 2343 2245 691 967 3542 287 334 1067 698 -1659 -442 -2546 -1034 -775 1979 -1084 2566 833 2083 1316 784 571 2435 2172 -284 1849 -419 -332 -1073 2 1732 915 -892 417 -1166 1362 -204 764 1186 -162 382 49 -1764 342 -1282 -504 415 -255 -1125 -1711 530 -1342 -1356 -1814 -1220 -1974 -1056 -1170 24 -533 -419 14 868 424 863 -204 889 912 214 388 -147 435 1656 912 -745 -385 -924 811 1864 1459 -383 753 666 -376 235 508 1888 1262 775 -1201 -13981 1581 1780 849 547 193 841 541 -524 1623 1599 1521 1286 1328 -448 723 925 101 -1208 -1016 -549 -566 -954 SS 20240901T150311.8Z 9010.627219 240 1 50.52 2 41.16 135.09 26.97 149.10 0.00 1 0.00 1 0 17 3.304e-02 1.344e-02 5.798e-03 2.937e-03 1.832864e-01 1.546315e-03 2.217128e-03 -6.000000e+00 1.980499e-02 230.32 -2.00 3.51 -2.00 316.10 0.00e+00 -4.219771e-05 1.701303e-04 5.382504e-05 -6.000000e+00 8.905079e-04 288.96 -2.00 20.00 -2.00 315.31 0.00e+00 1.327 0.000 302.00 328.00 3 5.5251e+00 4.0295e-03 1.6368e-02 -6.0000e+00 4.9357e-02 2.6874e-03 4.4891e-03 9.5250e-03 -6.0000e+00 5.3300e-02 1.7911e-02 2.5730e-03 4.6392e-03 -6.0000e+00 3.1841e-02 -6.9225e-03 1.1673e-03 1.2791e-03 -6.0000e+00 1.3412e-02 4.6155e-04 -3.0591e-04 9.1006e-05 1.7522e-05 -6.0000e+00 9.8666e-04 -2.4914e-03 0.0000e+00 12 8 8 10 0 0 99.98 22.53 0.77 -0.00249 -0.00479 27 5 2 5 0 1870.780 26.11 20.00 22.53 33.68 38.5 1095.58 -7185 -6455 16568 -13941 2990 787 1688 16148 3424 -1315 -4660 -1226 -3502 708 9010 -456 -6078 1048 8127 4758 -2858 37 2104 -5307 -75 -1775 10253 -2057 -776 -2944 696 1844 1058 -2320 -634 5691 -2802 -3315 778 1538 -2982 -488 -3462 -2196 -1467 2649 -3344 1040 229 2110 -127 -43 -1732 3566 2949 925 2975 820 2598 -178 1761 2771 1044 -1057 259 -2565 1057 -1321 549 1407 -497 409 868 -1332 1234 -773 864 2532 -298 -1133 -1507 1002 -1957 -382 -2310 -863 -1736 -375 -727 -63 -430 -535 116 1334 520 1553 -860 532 -153 -293 -285 -490 -298 988 830 -469 168 -1067 1 1216 553 -912 230 -270 -674 -64 266 1231 326 197 -1803 -250 729 1497 -314 418 -255 518 309 -198 1088 931 736 183 682 33 517 14 -270 -1043 -570 -598 -386 -56 -1558 -1513 3249 -3481 593 148 317 2877 753 -321 -1181 -301 -920 196 2574 -153 -2237 372 2777 1723 -1128 14 805 -2220 -31 -778 4092 -885 -313 -1154 263 717 437 -1020 -271 2231 -1198 -1558 406 908 -2006 -340 -2546 -1620 -1076 1881 -2462 723 156 1398 -86 -30 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