File name: Pandora64s1_NewHavenCT_20231211_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240113T140622.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231211_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20231211 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20231211T165022.4Z 8745.701648 227 1 48.37 2 64.33 181.41 68.62 199.13 0.00 1 0.00 1 0 17 1.671e-02 6.856e-03 5.473e-03 9.531e-04 3.238174e-01 4.991135e-04 3.915172e-03 -6.000000e+00 9.920753e-03 222.78 -2.00 3.52 -2.00 318.46 0.00e+00 2.954590e-04 9.948531e-05 1.739081e-04 -6.000000e+00 4.359126e-04 277.33 -2.00 20.00 -2.00 317.85 0.00e+00 2.294 0.000 302.00 328.00 3 2.7536e+00 1.3362e-03 2.8162e-02 -6.0000e+00 2.4408e-02 1.2268e-03 1.5201e-03 1.6475e-02 -6.0000e+00 2.6496e-02 3.5219e-02 1.0204e-03 8.3009e-03 -6.0000e+00 1.5792e-02 -2.1215e-02 5.2857e-04 2.4479e-03 -6.0000e+00 6.7567e-03 2.2698e-03 1.7567e-04 3.0114e-05 2.9803e-05 -6.0000e+00 4.9587e-04 -7.2083e-03 9.4575e-05 11 8 0 10 0 0 100.00 21.52 0.29 -0.00721 -0.00589 1604 386 1 5 0 30.150 26.00 19.99 21.52 12.88 37.2 966.49 -2884 -2793 -1706 -2335 -13835 -1071 -2412 1062 1149 2658 -4025 463 100 585 -268 1576 -2031 2222 -215 2747 -75 721 587 1479 -557 2022 378 -162 -342 831 2243 1326 2655 514 -3643 -1321 -1435 -1129 -1 -392 -1507 -1728 -859 -1527 -998 -669 -946 -296 -633 -737 1410 -1276 961 800 220 640 1061 309 440 262 763 1256 1274 2033 831 -1345 207 -1283 920 1616 368 327 -124 556 504 -518 163 -1322 87 -10 -899 -696 -1678 -2138 -549 -546 16 47 925 603 468 592 -494 153 1019 469 -104 1121 667 -397 -418 -1369 -1793 306 406 -1309 -488 -704 -410 378 784 310 6 128 -340 -238 433 -181 498 386 -240 -402 516 14 669 801 -1151 477 815 312 322 -564 -700 -353 486 22 -378 441 330 -277 141 -566 -157 -162 -100 -127 -781 -54 -135 64 77 183 -299 36 8 56 -30 189 -265 295 -30 394 -11 107 92 244 -99 360 67 -27 -56 139 406 261 565 112 -780 -290 -356 -329 0 -142 -594 -713 -363 -650 -425 -284 -397 -123 -264 -318 643 -639 499 439 124 371 620 180 252 152 463 822 899 1393 603 -931 137 -872 675 1221 299 273 -102 430 386 -362 106 -870 62 -8 -754 -641 -1649 -2231 -607 -639 19 54 1113 689 494 580 -461 145 1041 534 -132 1430 876 -507 -537 -1646 -2108 374 530 -1689 -661 -1002 -620 604 1302 514 9 191 -474 -320 591 -259 756 608 -380 -623 773 21 913 1122 -1591 679 1164 477 516 -936 -1203 -634 863 40 -713 839 623 -508 266 -1037 SS 20231211T170337.1Z 8745.710846 237 1 48.31 2 64.46 184.79 69.50 202.12 0.00 1 0.00 1 0 17 3.416e-02 7.430e-03 1.147e-02 1.983e-03 3.269446e-01 1.039543e-03 3.946229e-03 -6.000000e+00 2.029147e-02 222.78 -2.00 3.52 -2.00 318.47 0.00e+00 5.415761e-04 2.064421e-04 1.463779e-04 -6.000000e+00 8.913574e-04 277.33 -2.00 20.00 -2.00 317.86 0.00e+00 2.305 0.000 302.00 328.00 3 3.5707e+00 2.7812e-03 2.8337e-02 -6.0000e+00 4.9923e-02 1.5174e-02 3.1629e-03 1.6620e-02 -6.0000e+00 5.4187e-02 2.6214e-02 2.1200e-03 8.3617e-03 -6.0000e+00 3.2296e-02 -1.6795e-02 1.1006e-03 2.5267e-03 -6.0000e+00 1.3823e-02 9.8140e-04 6.2658e-04 6.3121e-05 3.0653e-05 -6.0000e+00 1.0134e-03 -7.5746e-03 1.8687e-04 11 9 0 11 8 0 99.99 21.50 0.22 -0.00757 -0.00287 304 73 2 5 0 158.900 26.00 20.00 21.50 13.08 37.4 966.78 -1621 -85 -171 -6517 -35869 -3839 -4893 -4027 4422 3718 -3850 -1793 -1020 1067 1045 1526 -110 1266 586 2591 1061 1308 1345 -170 1800 1710 1319 340 119 -2686 2173 669 3014 -265 -2963 -1832 -1133 -1019 -432 -1037 -1020 -1937 -534 -2469 -456 -57 119 -619 -669 -1215 1270 671 1031 1279 444 408 1293 151 281 225 837 1002 1547 2301 1048 -1416 -24 -1006 792 1481 219 567 -187 743 248 -451 178 -1358 -539 7 -1062 -1238 -1890 -1941 -523 -414 210 136 900 679 352 637 -748 283 899 484 -98 1236 593 -538 -486 -1363 -1922 365 393 -1368 -324 -497 -497 389 738 236 185 113 -387 -327 423 -233 297 431 -311 -309 582 77 1056 657 -888 525 703 173 492 -519 -819 -166 703 -156 -300 401 480 -531 -9 -705 -83 -5 -9 -352 -2405 -207 -266 -243 270 239 -269 -135 -89 105 119 189 -15 176 85 385 162 199 216 -29 320 314 239 59 20 -480 406 137 608 -55 -649 -416 -265 -281 -141 -388 -410 -821 -230 -1089 -198 -25 51 -264 -286 -541 595 338 549 718 239 225 718 84 165 134 482 625 1035 1611 723 -934 -15 -649 554 1148 183 482 -156 587 181 -300 119 -916 -368 5 -914 -1176 -1907 -2071 -553 -461 243 160 1034 739 381 638 -716 274 941 563 -119 1613 799 -706 -598 -1565 -2316 426 490 -1806 -448 -722 -769 596 1177 376 300 172 -552 -451 591 -341 463 696 -505 -490 890 112 1467 877 -1168 713 1028 270 806 -881 -1351 -285 1271 -295 -577 781 924 -994 -15 -1237 SS 20231211T171208.7Z 8745.716767 243 1 5.72 2 64.63 186.95 70.13 204.02 0.00 1 0.00 1 0 17 1.210e-02 7.403e-03 2.465e-03 6.497e-04 3.283950e-01 3.410680e-04 3.985305e-03 -6.000000e+00 7.183391e-03 222.78 -2.00 3.52 -2.00 317.55 0.00e+00 4.683725e-04 5.319276e-05 1.405211e-04 -6.000000e+00 3.156698e-04 277.33 -2.00 20.00 -2.00 316.95 0.00e+00 2.319 0.000 302.00 328.00 3 5.9268e-01 8.9395e-04 2.8441e-02 -6.0000e+00 1.7673e-02 1.6787e-02 1.0057e-03 1.6588e-02 -6.0000e+00 1.9188e-02 -7.1159e-04 6.2416e-04 8.3101e-03 -6.0000e+00 1.1436e-02 -4.8389e-03 3.1448e-04 2.4329e-03 -6.0000e+00 4.8911e-03 1.9176e-02 -1.3640e-04 2.0076e-05 2.9987e-05 -6.0000e+00 3.5932e-04 -6.2928e-03 2.1626e-05 12 9 1 12 1 1 99.99 21.48 0.20 -0.00629 -0.00732 231 472 1 5 0 24.660 26.00 20.00 21.48 13.11 37.3 966.99 634 -1371 219 -3149 -5418 -3011 -1978 -422 952 -916 -4511 -2117 -276 -485 969 252 -1016 521 223 1268 716 -993 588 555 316 876 327 -1685 -1301 -436 1587 10 1926 -182 -4596 -2641 -1763 -1123 117 7 -885 -1055 -268 -840 -365 246 -714 -22 -752 -134 1154 797 667 1601 235 975 1125 627 -6 389 686 1360 1355 2221 742 -1226 -334 -1319 474 1661 476 499 -113 563 91 -953 -675 -1810 -581 -303 -1162 -784 -1918 -1984 -539 -578 117 251 850 584 351 486 -648 97 993 413 -97 1168 763 -494 -407 -1494 -1770 105 530 -1392 -322 -801 -195 368 804 383 249 45 -252 -212 534 -236 532 302 -41 -279 614 50 901 748 -897 448 895 302 482 -530 -640 -373 449 -58 -443 349 268 -417 100 -719 53 -124 20 -270 -439 -242 -171 -40 98 -100 -516 -260 -36 -72 163 47 -200 107 48 280 160 -226 139 139 77 218 87 -431 -321 -111 432 3 568 -55 -1362 -806 -600 -447 51 3 -443 -552 -144 -453 -197 132 -380 -12 -399 -73 671 497 413 1039 158 669 781 432 -4 268 494 1054 1066 1825 601 -946 -264 -1002 391 1426 439 471 -104 493 78 -745 -526 -1420 -466 -273 -1112 -779 -2036 -2228 -611 -692 138 300 997 682 380 513 -654 99 1097 483 -120 1492 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