File name: Pandora64s1_NewHavenCT_20250318_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250319T051723.8Z 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 v1.8.74 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250318_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: 20250318 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 20250318T115058.1Z 9208.493728 245 1 29.18 2 80.89 99.11 83.88 235.94 0.00 1 0.00 1 0 25 3.754e-01 2.673e-02 1.366e-01 5.328e-03 7.714089e-01 2.991209e-03 9.560614e-03 -6.000000e+00 2.255480e-01 226.35 -2.00 3.52 -2.00 321.38 0.00e+00 2.575185e-02 1.419075e-03 3.256991e-03 -6.000000e+00 9.776731e-03 277.10 -2.00 20.00 -2.00 320.92 0.00e+00 5.993 0.004 302.00 328.00 3 1.6307e+00 9.9634e-03 7.2695e-02 -6.0000e+00 5.5940e-01 6.5496e-01 1.2536e-02 4.4639e-02 -6.0000e+00 6.0618e-01 -8.6723e-01 1.1385e-02 2.9276e-02 -6.0000e+00 3.6027e-01 3.7178e-01 5.5135e-03 2.5123e-02 -6.0000e+00 1.5267e-01 1.0409e-04 -2.2403e-03 1.4823e-04 3.8561e-04 -6.0000e+00 1.1156e-02 -2.5697e-04 -8.9468e-05 12 9 9 12 1 1 95.30 21.19 0.13 -0.00026 -0.01709 32 13 1 5 0 884.130 25.68 20.00 21.19 8.48 38.3 958.96 -92153 -88792 -16064 -92202 -236679 -76348 -111563 -132165 -79539 -32673 -100875 -44066 -61886 -9120 16741 -1862 36444 41518 59717 60528 30275 59495 67507 8526 22875 21252 1407 3509 19222 -24912 13596 57730 36163 29994 29329 18168 41424 43422 25669 33504 42198 20725 18172 11725 27223 29535 48387 36208 32955 16482 36667 22079 38320 14786 21301 12260 14586 2762 11088 11792 9570 12157 20113 13554 18283 10438 13383 10244 9302 9227 4125 4486 2332 -1341 533 -3820 5737 -1806 -942 1670 -1491 -1129 -1257 -3503 -3752 -2045 -356 -1297 -333 -429 -3141 -1351 -5466 -6532 -3000 -2976 -2246 441 196 201 -219 -727 -4575 -1506 -1627 -3099 -2419 -582 -1667 -385 -94 -397 -617 36 -727 -1085 432 740 1253 1913 1866 2017 2361 1847 2156 2468 -893 1314 1770 1591 1051 -113 -154 -679 283 -209 -576 206 361 -905 -815 -1966 -2176 -2265 -205 -2265 -19675 -1262 -2424 -3371 -1165 -323 -1858 -583 -1374 -164 300 -48 723 863 1072 1086 701 1051 1052 205 454 422 34 85 436 -1071 507 1636 1452 1289 1177 824 1604 1846 1479 1978 2432 1566 1502 985 2237 2497 3565 3215 2939 1877 3794 2877 4529 2330 3154 1980 2267 467 1695 1838 1653 2332 4084 3298 4377 2671 3419 2821 2673 2965 1465 1598 806 -444 169 -1161 1580 -582 -330 683 -728 -621 -742 -2227 -2551 -1331 -237 -882 -222 -293 -2064 -838 -3539 -4678 -2246 -2625 -2288 465 220 219 -239 -712 -4353 -1438 -1657 -3347 -2803 -674 -2197 -565 -142 -628 -974 55 -1144 -1692 686 1150 2038 3117 2941 3237 3666 2770 3135 3496 -1308 2084 3009 3036 2084 -241 -348 -1555 683 -522 -1455 520 891 -2127 -1904 -4386 SS 20250318T120032.9Z 9208.500381 250 1 14.46 2 79.11 100.75 85.37 237.56 0.00 1 0.00 1 0 25 5.078e-01 3.691e-02 2.812e-01 1.252e-02 6.614851e-01 6.901910e-03 8.359278e-03 -6.000000e+00 3.036253e-01 226.35 -2.00 3.52 -2.00 320.93 0.00e+00 3.391023e-02 2.758440e-03 7.029870e-04 -6.000000e+00 1.322785e-02 277.10 -2.00 20.00 -2.00 320.43 0.00e+00 5.102 0.002 302.00 328.00 3 3.2773e+00 2.1296e-02 6.4292e-02 -6.0000e+00 7.5292e-01 6.6737e-01 2.5276e-02 5.0034e-02 -6.0000e+00 8.1713e-01 -8.5486e-01 2.0381e-02 2.4674e-02 -6.0000e+00 4.8568e-01 3.8510e-01 1.0254e-02 2.7832e-02 -6.0000e+00 2.0494e-01 4.8838e-05 -7.8911e-03 3.5444e-04 3.4990e-04 -6.0000e+00 1.5090e-02 1.1862e-02 -8.8311e-04 12 9 9 12 1 1 99.86 21.19 -0.08 0.01186 -0.04744 4 4 1 5 0 2882.640 25.68 20.00 21.19 8.81 38.3 959.90 -4725 22753 149298 47482 -189162 47098 -25139 -61553 315904 26445 -6716 -12041 39708 83545 37756 59464 88581 233544 77375 105393 75139 76540 85696 130380 -29945 108546 -1910 29174 34006 -11714 26435 44190 30742 60370 30825 65801 32288 38202 44619 40894 28883 41127 15911 29497 25299 37247 31550 42473 31606 28669 31145 42401 36218 23414 10673 6043 1332 -230 1432 9862 10908 22441 16184 4862 22507 8725 7685 5122 4038 6210 4453 2286 757 -1453 -2478 -11906 6813 -5174 -3405 -3976 -1441 -4337 616 -4978 -3003 -5281 -2207 -4640 927 -1117 -925 -3276 -7740 -9216 -3092 -4436 -1559 -456 2793 -763 111 -962 -1552 -3210 -1575 -2637 -1660 -580 642 -317 335 129 -263 884 -1400 -2086 905 -12 1350 2584 806 3783 2717 2267 2838 4010 -844 870 1970 1522 1133 91 79 -432 562 462 -1788 -419 365 -1095 -867 -2602 -144 586 1823 921 -26942 719 -650 -1962 3857 343 -123 -277 770 1530 1255 1896 2481 2851 2571 2800 2536 2309 2154 1990 -1848 1822 -86 1048 1294 -810 1578 2577 2193 3357 2112 3169 2299 2798 3389 3311 2765 3673 1963 3336 3154 4356 4095 5212 4508 4476 5183 6756 6446 4659 2371 1376 310 -53 318 2095 2504 5219 4554 1701 6732 2913 2613 1832 1614 2570 1962 1034 331 -631 -985 -4753 2221 -2031 -1542 -2048 -828 -2874 414 -3536 -2228 -4208 -1776 -3882 727 -852 -687 -2363 -5732 -7093 -2576 -4379 -1654 -544 3402 -939 126 -992 -1576 -3423 -1686 -2976 -1994 -745 866 -482 529 210 -425 1415 -2188 -3220 1399 -19 2204 4241 1313 5985 4212 3383 4074 5539 -1208 1331 3239 2786 2177 187 171 -950 1299 1101 -4241 -991 871 -2509 -1869 -5603 SS 20250318T120613.1Z 9208.504319 253 1 25.09 2 78.07 101.72 86.26 238.51 0.00 1 0.00 1 0 25 3.575e-01 1.154e-02 8.724e-02 2.791e-03 6.407836e-01 1.534395e-03 7.443919e-03 -6.000000e+00 2.148274e-01 226.35 -2.00 3.52 -2.00 320.57 0.00e+00 3.975233e-03 6.006786e-04 1.675800e-03 -6.000000e+00 9.312340e-03 277.10 -2.00 20.00 -2.00 320.06 0.00e+00 4.689 0.002 302.00 328.00 3 1.9892e+00 4.6702e-03 5.7838e-02 -6.0000e+00 5.3281e-01 8.0850e-02 5.9822e-03 3.4519e-02 -6.0000e+00 5.7738e-01 -8.2671e-02 5.8382e-03 1.9359e-02 -6.0000e+00 3.4315e-01 2.6230e-02 2.9036e-03 7.3261e-03 -6.0000e+00 1.4541e-01 3.3157e-04 -9.0246e-04 8.1652e-05 9.5771e-05 -6.0000e+00 1.0626e-02 1.4328e-04 -8.6375e-05 12 9 9 12 9 1 99.72 21.18 0.08 0.00014 -0.00664 49 23 1 5 0 501.660 25.68 20.00 21.18 8.60 38.3 959.02 -91913 -131407 -34153 -148510 -235107 -116061 -68761 -90179 -101124 -96624 -112572 -47410 -43115 -47785 -14728 -6452 -24305 12755 -20095 9331 -15387 6429 -2207 -33 -13949 -503 -11758 -11362 -10530 -18649 -8971 4912 -4375 11519 -6693 -847 -3000 1957 -1638 6803 -1629 4700 -272 2665 408 4632 1682 5300 314 684 5743 5976 4432 4177 2440 2841 1289 365 1155 2077 1954 3128 3696 3555 3253 697 1757 365 1041 2124 1439 649 -265 -297 -1037 -2459 566 -3549 -856 -869 -680 -1083 -2014 -2464 -476 -1344 719 493 979 440 -57 -402 -1389 -1185 257 -613 77 1047 986 -382 -441 -2316 -2227 118 350 -1709 -621 -751 123 415 1179 126 211 185 -312 -295 511 -54 545 736 7 -170 1101 345 1058 773 -1221 420 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