File name: Pandora206s1_BuffaloNY_20230324_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T054619.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20230324_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20230324 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: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20230324T123527.1Z 8483.524620 61 1 23.87 2 75.59 101.79 91.59 68.10 0.00 1 0.00 1 0 25 1.422e-01 6.536e-03 1.110e-01 4.055e-03 5.313560e-01 2.062139e-03 6.129060e-03 -6.000000e+00 7.972517e-02 226.53 -2.00 3.55 -2.00 320.19 0.00e+00 2.235228e-03 6.950336e-04 3.955802e-04 -6.000000e+00 3.477281e-03 275.43 -2.00 20.00 -2.00 319.65 0.00e+00 3.934 0.001 302.00 328.00 3 3.5863e+00 6.0000e-03 4.7489e-02 -6.0000e+00 1.9812e-01 5.6997e-02 7.3999e-03 2.8321e-02 -6.0000e+00 2.1600e-01 -2.9587e-02 6.9978e-03 1.4325e-02 -6.0000e+00 1.2785e-01 2.6913e-03 3.6081e-03 5.1975e-03 -6.0000e+00 5.4150e-02 1.6869e-04 -9.0101e-05 1.1130e-04 4.7734e-05 -6.0000e+00 3.7154e-03 -1.0908e-02 1.2206e-04 12 9 1 12 1 1 98.34 17.69 0.39 -0.01091 -0.01159 18 24 4 8 0 1247.340 15.00 17.69 7.35 21.27 21.06 14.7 970.80 -54581 -49193 -48498 900000 -4926 -69578 900000 17736 -7699 19556 -101076 -15269 -38919 5197 -16090 -5279 -24084 -6993 -6819 -4200 -1363 -1675 8889 -4700 -5467 -6517 612 -9724 -7058 -7047 1404 -5502 980 -5408 -7693 -8455 -6911 3194 -308 23 -1959 1581 601 1481 675 2266 -2659 -2572 2103 1237 1210 525 1075 1886 3157 689 2356 -63 385 -80 4168 2072 1912 2359 -3133 1980 -1130 -1662 -781 56 1996 2649 1437 1324 -616 -1020 -1533 -849 -964 -1084 -834 -848 -2063 -1362 -855 -1178 -127 -21 443 511 363 418 268 100 -432 212 563 1131 381 293 -30 -345 -936 -9 -886 -1189 -789 -371 -271 22 433 515 -23 60 -233 255 -240 46 -239 33 -175 -27 241 234 501 260 253 900 403 258 332 93 -106 -349 -115 -137 -316 200 10 95 -198 -256 3 -599 -594 -628 900000 -38 -947 900000 132 -84 177 -2952 -220 -838 95 -428 -150 -910 -244 -256 -162 -53 -64 322 -214 -268 -342 31 -517 -350 -371 80 -388 75 -471 -642 -700 -630 310 -38 3 -332 275 111 277 128 433 -540 -531 427 266 288 139 308 582 1012 221 768 -21 130 -27 1388 734 765 1050 -1521 865 -497 -744 -379 32 1204 1653 897 783 -340 -504 -705 -386 -485 -645 -571 -626 -1672 -1150 -772 -1087 -121 -21 434 479 330 353 214 81 -391 208 629 1370 500 377 -36 -395 -988 -10 -1047 -1410 -981 -490 -386 33 680 839 -37 96 -348 376 -343 69 -382 55 -292 -43 375 349 743 372 347 1273 615 436 580 172 -203 -677 -240 -287 -675 433 21 204 -406 -498 5 SS 20230324T132715.0Z 8483.560590 82 1 29.33 2 66.51 111.56 82.73 76.33 0.00 1 0.00 1 0 25 2.996e-02 6.564e-03 3.568e-02 4.909e-03 3.485238e-01 2.418284e-03 4.167119e-03 -6.000000e+00 1.668908e-02 226.53 -2.00 3.55 -2.00 318.63 0.00e+00 6.795125e-04 4.974358e-04 3.459173e-04 -6.000000e+00 7.189724e-04 275.43 -2.00 20.00 -2.00 318.04 0.00e+00 2.490 0.000 302.00 328.00 3 5.6656e+00 6.5581e-03 3.0361e-02 -6.0000e+00 4.1468e-02 6.1213e-02 7.4941e-03 1.8257e-02 -6.0000e+00 4.5186e-02 5.8661e-03 5.2524e-03 8.9632e-03 -6.0000e+00 2.6824e-02 -9.6506e-03 2.7755e-03 2.7043e-03 -6.0000e+00 1.1370e-02 1.0119e-04 4.0653e-04 1.3663e-04 2.6508e-05 -6.0000e+00 7.6312e-04 -1.2383e-02 2.0862e-04 11 8 0 10 0 0 99.91 17.69 0.34 -0.01238 -0.00933 14 14 4 8 0 2094.680 15.00 17.69 9.02 21.27 21.06 14.9 983.33 -9374 7954 14192 3423 -665 951 -2061 22284 2872 -9369 -4527 268 3240 -1229 2048 -1420 -4006 1004 -291 4 1329 -776 2983 -1777 -1772 1865 1658 795 -4616 492 -2379 -1853 -144 -2527 -4244 -2037 -1647 801 5598 1338 -669 -2097 -58 -1340 405 -1284 -3088 -3854 1141 -180 616 661 -111 1546 -75 1397 1617 -159 -314 289 18 1980 1087 2475 636 800 -474 -1016 136 -1055 1516 -47 740 632 -93 -200 -366 -623 -614 -1231 -1068 -473 -1557 -924 -813 -879 396 703 614 365 -301 364 -54 146 454 128 52 869 180 356 605 -458 -642 127 -328 -901 -317 -216 -419 26 318 167 -506 -2 -417 332 -804 -305 -621 -189 -333 269 506 -577 1245 471 -260 332 1227 222 794 229 65 -146 -170 -110 -75 203 413 296 16 -679 -915 -421 336 590 150 -27 38 -90 861 147 -581 -265 16 213 -100 189 -154 -472 119 -37 1 177 -104 396 -267 -281 299 270 123 -699 71 -391 -333 -28 -535 -844 -386 -345 191 1542 442 -248 -825 -23 -550 163 -530 -1282 -1591 446 -72 265 308 -55 810 -41 777 920 -92 -176 159 10 1200 708 1726 455 526 -308 -654 93 -810 1245 -39 634 518 -71 -140 -234 -384 -404 -907 -889 -423 -1508 -927 -850 -985 460 838 735 419 -330 363 -51 137 442 140 61 1116 247 477 777 -544 -731 149 -410 -1187 -422 -302 -605 40 510 273 -804 -3 -602 462 -1103 -435 -954 -298 -529 415 784 -862 1783 649 -343 444 1773 340 1243 372 109 -255 -308 -208 -140 391 794 562 30 -1197 -1622 SS 20230324T134400.8Z 8483.572232 92 1 13.06 2 63.69 114.98 79.79 78.94 0.00 1 0.00 1 0 17 1.623e-02 6.315e-03 1.612e-02 3.745e-03 3.167472e-01 1.844899e-03 3.792860e-03 -6.000000e+00 9.040780e-03 226.53 -2.00 3.55 -2.00 317.78 0.00e+00 4.977423e-04 2.970296e-04 8.478812e-05 -6.000000e+00 3.896767e-04 275.43 -2.00 20.00 -2.00 317.17 0.00e+00 2.243 0.000 302.00 328.00 3 4.8385e+00 4.9006e-03 2.7343e-02 -6.0000e+00 2.2464e-02 4.6578e-02 5.5399e-03 1.6297e-02 -6.0000e+00 2.4481e-02 -5.8134e-03 3.5134e-03 8.0624e-03 -6.0000e+00 1.4533e-02 -2.6979e-03 1.8007e-03 2.3323e-03 -6.0000e+00 6.1578e-03 3.1027e-04 4.0169e-05 1.0262e-04 2.3434e-05 -6.0000e+00 4.1362e-04 -1.1559e-02 1.3908e-04 12 1 1 12 1 1 99.38 17.69 0.19 -0.01156 -0.01126 6 11 1 8 0 1841.130 15.00 17.69 9.63 21.27 21.06 14.9 987.25 -2693 -1395 -681 -5748 4419 -5097 4084 -4985 3242 -4441 395 -4848 275 -4499 2537 -948 -349 518 -4110 4194 2276 2674 668 1923 -2109 1388 -2530 -861 -1602 84 -955 -1918 918 469 -486 -4063 -555 -1439 -306 -719 647 -1331 -86 -811 -393 -291 -1569 -748 -827 1001 337 1577 129 1749 1082 1213 731 889 15 753 1021 1275 1746 1748 587 -620 -198 -1352 220 180 631 270 450 442 -388 498 -199 32 -958 -426 -1333 -705 -1908 -1567 -1365 -458 -608 -22 275 559 395 399 391 -144 -23 -300 1439 558 306 -516 -243 -727 89 365 -484 -891 -868 -230 -349 185 35 519 64 94 -518 600 69 271 37 -49 -286 171 478 -275 1132 -7 397 599 596 375 -66 -138 -470 25 -249 95 360 380 181 -144 -123 -747 -529 -200 -114 -57 -478 290 -354 278 -417 281 -444 37 -494 31 -615 375 -158 -61 94 -819 801 452 520 137 416 -500 332 -636 -199 -356 18 -223 -493 253 136 -131 -1103 -161 -476 -118 -321 312 -683 -44 -422 -208 -155 -832 -386 -423 507 185 896 79 1090 703 802 497 600 10 490 684 899 1342 1416 482 -484 -145 -979 168 154 574 251 415 400 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