File name: Pandora55s1_QueensNY_20211216_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105113.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20211216_L1_smca1c19d20211111p1-8.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: 20211216 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: None First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 20211216T142255.6Z 8020.599255 288 1 13.29 2 72.73 144.61 120.61 351.99 0.00 1 0.00 1 0 25 1.086e-01 9.829e-03 3.480e-02 3.718e-03 4.146447e-01 1.896525e-03 4.946796e-03 -6.000000e+00 6.311100e-02 222.83 -2.00 3.51 -2.00 318.70 0.00e+00 1.378464e-03 4.146272e-04 2.240318e-04 -6.000000e+00 2.785816e-03 277.17 -2.00 20.00 -2.00 318.09 0.00e+00 3.320 0.001 302.00 328.00 3 3.0886e+00 5.1281e-03 3.9054e-02 -6.0000e+00 1.5519e-01 4.9466e-02 5.8805e-03 2.1207e-02 -6.0000e+00 1.6901e-01 -2.0252e-02 4.1639e-03 1.0543e-02 -6.0000e+00 1.0081e-01 3.9208e-03 2.1861e-03 3.2866e-03 -6.0000e+00 4.2474e-02 5.3701e-04 -9.0676e-04 1.1280e-04 3.9106e-05 -6.0000e+00 3.2385e-03 -3.7146e-03 7.2236e-05 12 9 9 12 1 1 99.93 22.69 0.35 -0.00371 -0.01053 8 7 1 5 0 1453.940 25.58 20.00 22.69 19.23 30.7 1018.55 20684 -14851 -33400 -53992 20438 12669 -31876 77071 -6595 -5415 -29202 5987 -28951 -10401 16148 -2660 -14475 -1889 20444 9726 8364 1918 3878 -8466 -2566 -6458 18061 917 -5037 -3807 -3757 8525 402 -5672 -587 12849 -5873 -725 1206 2712 -2927 -368 -4054 -964 -279 385 -1777 1610 2618 2259 1464 -911 -1481 3546 3286 1928 2513 626 1563 527 880 2954 949 -1132 18 -499 474 -353 1519 1097 131 -506 453 -1749 900 -1049 1126 1089 642 476 -1341 561 -1491 -981 -2058 -1263 -1128 48 -767 -616 -541 76 78 294 2190 711 116 127 142 -1217 -123 -777 321 1507 -451 -704 -461 -624 154 167 321 -367 270 -428 -4 154 773 754 616 272 -794 -741 102 102 -20 474 675 1450 774 362 -306 518 167 602 243 -495 -240 75 -392 -242 -183 -385 301 -564 520 -594 -1683 -3251 577 368 -1448 1404 -294 -256 -1786 280 -2119 -757 1085 -243 -1620 -201 1880 1032 926 229 462 -1183 -363 -995 2269 132 -742 -554 -579 1305 74 -1163 -116 2201 -1228 -163 311 801 -1007 -133 -1573 -374 -108 151 -708 626 1014 897 608 -412 -717 1743 1697 1035 1380 351 864 291 487 1676 585 -758 12 -347 316 -231 1002 783 102 -416 376 -1461 712 -793 782 723 430 341 -1070 481 -1392 -958 -2106 -1341 -1248 54 -886 -708 -605 81 79 287 2127 739 130 154 183 -1641 -164 -996 387 1756 -541 -881 -597 -835 213 241 486 -578 430 -678 -6 227 1097 1073 900 413 -1245 -1172 159 155 -30 689 955 2000 1086 533 -477 835 277 1016 423 -894 -445 141 -747 -463 -345 -708 537 -1001 SS 20211216T142823.8Z 8020.603053 292 1 49.54 2 72.14 145.77 120.72 353.43 0.00 1 0.00 1 0 25 1.733e-01 1.254e-02 5.726e-02 3.818e-03 4.025253e-01 1.963472e-03 4.710871e-03 -6.000000e+00 1.008572e-01 222.83 -2.00 3.51 -2.00 319.39 0.00e+00 3.061327e-04 5.204721e-04 2.696564e-04 -6.000000e+00 4.497326e-03 277.17 -2.00 20.00 -2.00 318.79 0.00e+00 3.217 0.001 302.00 328.00 3 4.0041e+00 5.4553e-03 3.7825e-02 -6.0000e+00 2.4803e-01 3.0703e-02 6.3813e-03 2.0518e-02 -6.0000e+00 2.6994e-01 8.3298e-03 4.8705e-03 1.0294e-02 -6.0000e+00 1.6114e-01 -8.5101e-03 2.5396e-03 3.1058e-03 -6.0000e+00 6.8271e-02 2.4173e-04 7.3930e-04 1.2065e-04 3.7947e-05 -6.0000e+00 5.1649e-03 -7.7282e-03 3.9650e-04 12 8 8 10 0 0 99.99 22.68 0.30 -0.00773 -0.00217 127 24 1 5 0 390.060 25.58 20.00 22.68 19.64 30.8 1020.69 -22174 3848 900000 -62765 23302 25373 -32459 149744 -1733 -2834 -61417 -8088 -32612 -27455 37183 -11028 -21639 1571 26088 17047 6014 102 14150 -8831 3750 -8647 29329 -3405 -5058 -16262 -1948 8683 1692 -11573 1766 28211 -5434 -2247 10783 1496 -2078 723 -5625 -3406 207 3858 -1880 3447 2799 5474 154 -2521 -2058 6508 4423 1369 2897 1344 3377 741 1128 5237 970 -2403 2728 -2610 1949 -2749 2499 593 -1471 -672 682 -2029 1236 54 2058 4978 780 279 -1647 1495 -1177 -1253 -2383 -1238 -2081 -112 -1628 -445 -193 -759 824 636 1192 1025 -689 557 -40 -765 -518 -792 22 2160 652 -469 -784 -924 309 901 270 -1085 452 -101 -393 595 877 2008 504 -289 -1082 -987 28 1116 -576 84 93 1228 828 -309 2 900 514 606 540 -574 -93 -119 -78 -722 -473 -438 27 358 -641 100 900000 -3078 505 515 -1138 1138 -57 -102 -3872 -334 -1867 -1758 1568 -809 -1905 120 1692 1259 504 9 1143 -922 376 -1019 2512 -384 -560 -1976 -219 982 226 -1858 252 3110 -840 -379 1910 338 -548 201 -1728 -1052 62 1136 -583 1021 837 1630 50 -906 -795 2475 1806 597 1287 609 1497 332 506 2370 494 -1363 1558 -1560 1076 -1534 1363 359 -996 -483 497 -1496 846 35 1197 2665 434 168 -1136 1119 -981 -1110 -2249 -1223 -2182 -120 -1809 -485 -203 -757 759 561 1058 976 -731 646 -51 -1017 -680 -989 25 2365 741 -566 -998 -1225 424 1300 416 -1779 747 -164 -614 877 1241 2814 740 -447 -1748 -1613 45 1726 -880 124 132 1672 1152 -459 2 1492 884 1071 988 -1108 -186 -242 -160 -1500 -965 -866 51 672 SS 20211216T143342.5Z 8020.606742 295 1 1.97 2 71.58 146.91 120.81 354.83 0.00 1 0.00 1 0 25 3.151e-02 7.364e-03 2.974e-02 4.784e-03 3.998695e-01 2.441243e-03 4.835026e-03 -6.000000e+00 1.829927e-02 222.83 -2.00 3.51 -2.00 318.29 0.00e+00 1.888163e-04 4.700407e-04 1.260116e-04 -6.000000e+00 8.079979e-04 277.17 -2.00 20.00 -2.00 317.67 0.00e+00 3.126 0.001 302.00 328.00 3 1.8117e+00 6.5213e-03 3.7031e-02 -6.0000e+00 4.4997e-02 3.7231e-02 7.4141e-03 2.0336e-02 -6.0000e+00 4.9014e-02 -2.0473e-02 4.9596e-03 1.0149e-02 -6.0000e+00 2.9236e-02 3.0605e-03 2.5796e-03 2.9075e-03 -6.0000e+00 1.2311e-02 2.3889e-03 -1.3315e-03 1.4510e-04 3.6970e-05 -6.0000e+00 9.3960e-04 -2.7888e-03 -4.3355e-05 12 9 1 12 1 1 -2.83 22.68 0.11 -0.00279 -0.01279 4 26 1 5 0 358.670 25.58 19.99 22.68 20.02 30.7 1022.89 4904 -5265 -4829 -10206 4012 -25931 -10425 268 -830 -8301 -322 -3087 -7413 -5187 1048 2029 -5150 2268 5257 3988 -2281 -2028 803 1357 -2149 -2104 2340 -2827 1861 -2090 1861 1204 -833 -2142 -2436 1036 -2129 829 558 928 -1674 595 -217 -1002 -1222 -619 -1726 -117 -195 1200 1253 -578 750 2390 864 539 914 -166 2847 -655 937 1979 451 246 694 551 438 1197 1571 406 -660 102 -320 -1393 -1179 -141 415 -96 1602 145 -201 312 -1509 -1422 -1087 -1677 -615 33 -216 -567 14 -168 101 775 993 1342 527 1178 -693 -637 -566 -378 610 520 -318 -948 -824 -603 -197 616 212 -466 117 -106 114 701 1359 1164 24 -57 -855 -781 -212 -64 125 -134 434 1673 565 858 816 -396 152 128 -42 -820 -58 17 -559 -600 353 -43 -43 102 200 -266 -255 -558 181 -1470 -532 14 -48 -554 -21 -215 -602 -480 107 232 -681 299 709 568 -353 -318 125 221 -385 -396 430 -533 326 -375 339 242 -187 -516 -589 238 -519 220 172 327 -666 248 -95 -447 -550 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