File name: Pandora55s1_QueensNY_20240303_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240304T051402.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 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_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240303_L1_smca1c17d20220526p1-8.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: 20240303 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240303T125021.0Z 8828.534965 233 1 10.11 2 75.30 112.37 73.93 208.41 0.00 1 0.00 1 0 25 1.659e-01 6.912e-03 8.327e-02 2.702e-03 5.796650e-01 1.420281e-03 6.659492e-03 -6.000000e+00 9.766997e-02 225.68 -2.00 3.51 -2.00 319.85 0.00e+00 2.341346e-03 4.485988e-04 6.992312e-04 -6.000000e+00 4.254274e-03 276.40 -2.00 20.00 -2.00 319.30 0.00e+00 3.861 0.001 302.00 328.00 3 1.5277e+00 4.0590e-03 4.8870e-02 -6.0000e+00 2.4179e-01 8.0609e-02 4.8986e-03 3.0705e-02 -6.0000e+00 2.6277e-01 -3.5093e-02 4.3655e-03 1.5231e-02 -6.0000e+00 1.5622e-01 3.6056e-03 2.2640e-03 5.6267e-03 -6.0000e+00 6.5933e-02 1.2196e-03 -8.1898e-06 7.9159e-05 5.8241e-05 -6.0000e+00 4.9781e-03 1.7496e-02 0.0000e+00 12 9 1 12 5 1 99.98 22.61 0.18 0.01750 0.01743 34 33 1 5 0 288.540 25.90 20.00 22.61 15.98 35.7 1069.00 -83299 85108 -92651 -22214 -29752 -42156 11648 -33590 -2927 -71770 -16337 -40422 -39073 3969 -3495 -15918 -4629 4792 7070 -1522 -4275 756 -13483 -2268 -11094 14924 -11216 -11584 -11582 984 3347 -8473 -2572 -6127 5505 -6994 -1299 748 2640 -2014 450 -2258 711 3 -243 -220 1169 2488 2298 2678 1637 -376 1880 3089 1529 1462 135 729 553 1202 3274 779 -794 1129 688 822 289 1308 804 683 -318 -472 -787 -309 -626 31 1101 743 -586 -464 -304 -1691 -1246 -1634 -768 -919 -558 -683 -907 244 723 759 1169 1429 834 797 369 -131 -310 -314 -216 273 998 127 -934 -273 -644 -3 398 -214 -516 -408 -410 -168 661 1007 1272 413 -3 -1023 -309 -276 -198 120 -38 349 1001 572 135 512 -62 275 196 194 -534 -140 240 -322 -569 -100 -134 228 150 -1453 339 -1952 -235 -327 -538 100 -497 -36 -1754 -262 -950 -1122 95 -106 -616 -178 183 281 -68 -201 35 -746 -123 -692 758 -719 -738 -753 63 243 -787 -248 -624 498 -732 -145 98 401 -363 87 -471 150 1 -54 -49 264 570 552 684 460 -117 618 1070 559 555 52 279 209 454 1269 334 -379 568 355 415 146 676 455 425 -211 -321 -531 -198 -377 17 583 403 -349 -312 -226 -1385 -1078 -1487 -726 -907 -568 -706 -935 242 685 684 1024 1280 806 847 430 -165 -410 -414 -273 322 1125 145 -1117 -339 -826 -4 561 -323 -819 -665 -668 -267 1009 1491 1882 629 -5 -1668 -503 -441 -309 182 -56 505 1416 827 208 841 -108 494 361 369 -1060 -285 496 -674 -1191 -206 -267 440 283 SS 20240303T130022.3Z 8828.541925 236 1 50.48 2 73.55 114.22 74.84 210.45 0.00 1 0.00 1 0 25 6.233e-02 5.863e-03 6.156e-03 4.205e-04 5.264153e-01 2.195157e-04 6.122687e-03 -6.000000e+00 3.671732e-02 225.68 -2.00 3.51 -2.00 319.26 0.00e+00 1.086378e-03 5.706177e-05 4.538139e-04 -6.000000e+00 1.598934e-03 276.40 -2.00 20.00 -2.00 318.69 0.00e+00 3.475 0.001 302.00 328.00 3 3.9483e-03 6.0740e-04 4.3958e-02 -6.0000e+00 9.0897e-02 5.8671e-02 7.0829e-04 2.7267e-02 -6.0000e+00 9.8772e-02 -3.1011e-02 5.6745e-04 1.3520e-02 -6.0000e+00 5.8721e-02 3.8428e-03 2.9928e-04 4.3043e-03 -6.0000e+00 2.4794e-02 8.7050e-03 3.3970e-04 1.2420e-05 4.8554e-05 -6.0000e+00 1.8708e-03 1.5222e-02 0.0000e+00 11 1 0 11 4 0 42.83 22.61 0.21 0.01522 0.01777 841 159 1 5 0 60.010 25.90 20.00 22.61 16.42 36.0 1073.68 -26616 -15918 -27489 -20282 -24212 -20417 -18178 -14407 -22272 -18923 -17507 -12375 -10929 -2295 -5487 -4071 -3381 -357 224 -1708 -691 -1228 -2235 -2636 -2552 -2323 -3552 -2641 -2227 -322 185 403 -1886 -1055 -564 -1050 -577 203 -746 -1450 -980 -1471 -810 -399 393 -611 253 32 1255 1124 1006 1219 1118 949 816 766 221 434 538 1578 1680 1648 614 -199 496 467 746 1248 990 118 -146 -711 -473 -642 -17 293 630 1117 112 -4 -663 -1363 -1333 -1214 -1211 -858 -640 -454 -458 47 641 779 1510 1376 1097 782 802 -357 -516 -378 -432 149 754 -102 -972 -403 -760 -99 -131 -203 -432 -247 -61 21 679 871 810 504 -186 -651 -573 -143 -246 33 -13 393 1364 892 258 442 -71 281 122 233 -302 -128 187 -381 -446 -188 -117 -82 175 -505 -296 -576 -374 -445 -412 -366 -318 -584 -509 -503 -394 -423 -100 -293 -243 -220 -24 15 -120 -49 -89 -175 -225 -233 -218 -333 -239 -203 -31 21 52 -270 -152 -80 -154 -96 37 -166 -375 -278 -412 -233 -116 115 -183 76 10 396 379 373 462 460 417 377 366 108 209 255 740 826 835 349 -123 309 283 441 762 631 85 -108 -545 -355 -483 -12 193 389 696 74 -3 -548 -1201 -1271 -1167 -1240 -885 -691 -500 -499 49 651 735 1426 1331 1110 857 954 -458 -676 -513 -550 180 891 -118 -1199 -501 -999 -132 -188 -307 -680 -403 -98 32 1019 1248 1159 751 -283 -1037 -916 -223 -383 49 -20 562 1873 1260 383 698 -118 487 213 429 -571 -246 368 -764 -895 -365 -224 -155 319 SS 20240303T130629.1Z 8828.546170 240 1 50.51 2 72.50 115.36 75.43 211.68 0.00 1 0.00 1 0 25 4.473e-02 5.960e-03 4.247e-03 3.691e-04 4.973104e-01 1.917768e-04 5.810293e-03 -6.000000e+00 2.634459e-02 225.68 -2.00 3.51 -2.00 319.00 0.00e+00 8.481330e-04 4.590337e-05 3.577874e-04 -6.000000e+00 1.147310e-03 276.40 -2.00 20.00 -2.00 318.42 0.00e+00 3.279 0.001 302.00 328.00 3 -1.7872e-02 5.2561e-04 4.1431e-02 -6.0000e+00 6.5218e-02 5.5071e-02 6.0580e-04 2.5577e-02 -6.0000e+00 7.0871e-02 -2.9327e-02 4.6001e-04 1.2679e-02 -6.0000e+00 4.2133e-02 3.8418e-03 2.4339e-04 3.8967e-03 -6.0000e+00 1.7788e-02 1.1125e-02 2.7164e-04 1.0984e-05 4.5598e-05 -6.0000e+00 1.3424e-03 1.5861e-02 0.0000e+00 11 1 0 11 4 0 91.16 22.61 0.21 0.01586 0.01790 951 180 1 5 0 53.040 25.90 20.00 22.61 17.04 36.1 1076.34 -15014 -12312 -17849 -18428 -16402 -18660 -11841 -12775 -14798 -12359 -11982 -8008 -8278 -879 -4293 -1603 -2464 -217 -462 -550 48 -613 -1037 -2046 -2084 -2282 -2622 -2281 -643 -512 702 609 -1856 -1018 -203 -454 -696 244 -712 -1153 -775 -1299 -922 -460 125 -491 60 -371 1060 775 1051 1187 1266 1015 653 808 176 556 680 1513 1480 1525 546 -149 344 531 717 1249 865 189 -200 -538 -377 -687 -5 203 693 1063 121 -57 -695 -1403 -1437 -1234 -1251 -781 -656 -412 -496 110 535 710 1417 1419 1238 819 808 -407 -474 -439 -493 75 738 -139 -906 -457 -806 -156 -165 -122 -423 -223 -147 -28 687 855 849 583 -176 -641 -570 -183 -262 100 84 422 1402 890 300 418 -38 322 127 184 -278 -114 173 -420 -481 -158 -168 -98 148 -353 -305 -468 -459 -382 -460 -305 -378 -489 -421 -438 -325 -410 -49 -294 -110 -186 -17 -39 -48 4 -56 -101 -218 -237 -268 -304 -256 -71 -61 95 94 -319 -176 -34 -79 -127 53 -188 -327 -240 -428 -313 -158 43 -172 21 -133 386 301 415 513 590 505 320 409 91 283 340 751 770 870 328 -97 225 335 439 786 604 141 -153 -426 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