File name: Pandora55s1_QueensNY_20240710_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240711T051112.2Z 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_20240710_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: 20240710 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 20240710T105002.4Z 8957.451416 82 1 50.37 2 77.71 71.27 120.99 40.25 0.00 1 0.00 1 0 25 4.013e-01 1.498e-02 1.318e-01 3.091e-03 5.764746e-01 1.715087e-03 6.546027e-03 -6.000000e+00 2.467471e-01 232.89 -2.00 3.51 -2.00 320.46 0.00e+00 3.170651e-03 6.759638e-04 4.526695e-04 -6.000000e+00 1.128652e-02 289.17 -2.00 20.00 -2.00 319.75 0.00e+00 4.558 0.002 302.00 328.00 3 2.5860e+00 5.3686e-03 5.5007e-02 -6.0000e+00 6.1968e-01 5.0617e-02 6.7965e-03 3.0997e-02 -6.0000e+00 6.6976e-01 -9.0066e-02 5.8874e-03 1.5850e-02 -6.0000e+00 3.9651e-01 3.2821e-02 2.9159e-03 6.0397e-03 -6.0000e+00 1.6619e-01 2.2708e-04 -1.9285e-04 9.4432e-05 6.7440e-05 -6.0000e+00 1.2337e-02 1.3888e-02 0.0000e+00 12 9 8 11 4 0 99.10 22.78 0.33 0.01389 0.01244 43 8 1 5 0 1171.250 26.11 20.01 22.78 31.91 38.0 1100.00 -112291 900000 -146944 -99421 900000 -87687 900000 113557 -30638 -119726 -118388 -83949 -104079 900000 -37936 -53979 55263 900000 99616 -34348 17931 5834 -42051 -28456 -10151 260189 -2788 -41380 -38513 -22243 14770 -3827 -8581 7369 54488 4159 -20832 21440 9585 -2227 3526 -5158 -519 1865 15610 -8021 13947 7214 15008 -4066 6051 -9258 15731 10142 3481 10012 3604 7320 -1866 2803 6149 4629 -5348 6797 -4908 8499 -2044 1606 2353 203 2594 1426 -1580 2832 -24 426 6052 -1468 -923 -2768 2699 -2041 -523 -2114 -1844 -1951 -2009 -1894 -970 220 -975 1443 1493 587 508 -1163 264 -542 -34 -832 -534 -406 1710 418 -1239 -607 -1257 116 712 552 -1623 358 -765 -5 -108 878 1735 312 -167 -1396 82 422 1558 -192 532 -355 1567 575 64 522 663 853 146 427 -778 296 161 16 -859 -208 -675 -204 -25 -1802 900000 -3642 -1509 900000 -1183 900000 342 -328 -3162 -3355 -2023 -3754 900000 -1090 -2052 834 900000 1144 -1454 477 178 -2109 -1359 -435 875 -115 -2407 -2229 -1219 667 -238 -611 466 2189 276 -1963 1630 965 -286 473 -796 -80 286 2164 -1400 2035 1152 2339 -806 1199 -2313 3400 2465 938 2653 1026 2010 -549 794 1776 1484 -2069 2555 -2093 3167 -826 653 1045 102 1372 784 -883 1451 -12 192 2483 -657 -450 -1564 1645 -1425 -387 -1672 -1534 -1709 -1836 -1761 -894 196 -833 1143 1153 466 438 -1130 282 -635 -42 -1033 -633 -450 1781 445 -1393 -712 -1542 149 961 802 -2541 573 -1233 -7 -162 1275 2517 471 -264 -2283 133 674 2411 -294 790 -515 2197 830 98 867 1167 1560 278 841 -1606 628 349 35 -1900 -451 -1422 -414 -50 SS 20240710T110507.1Z 8957.461887 88 1 50.54 2 74.98 73.52 119.19 43.83 0.00 1 0.00 1 0 25 1.232e-01 7.010e-03 2.924e-02 1.388e-03 4.920101e-01 7.423287e-04 5.672023e-03 -6.000000e+00 7.459201e-02 232.89 -2.00 3.51 -2.00 319.62 0.00e+00 1.444827e-03 2.206720e-04 3.791543e-04 -6.000000e+00 3.333824e-03 289.17 -2.00 20.00 -2.00 318.83 0.00e+00 3.783 0.001 302.00 328.00 3 1.9939e+00 2.1498e-03 4.6132e-02 -6.0000e+00 1.8707e-01 -2.7592e-03 2.5590e-03 2.6547e-02 -6.0000e+00 2.0172e-01 -1.3561e-02 2.0062e-03 1.2766e-02 -6.0000e+00 1.2014e-01 -1.3899e-03 1.0366e-03 4.1951e-03 -6.0000e+00 5.0604e-02 9.4957e-04 1.1164e-04 4.2184e-05 4.4721e-05 -6.0000e+00 3.7077e-03 1.3050e-02 0.0000e+00 11 9 0 11 4 0 97.54 22.79 0.20 0.01305 0.01389 118 22 1 5 0 428.250 26.11 20.00 22.79 32.13 37.9 1100.00 -51349 86609 -53088 -6398 -16390 -26448 32149 -14978 -17010 -42092 -21941 -30296 -19222 11839 -2158 -15393 4195 12554 10197 -10121 -1793 1464 -12423 -1469 -5616 14829 -6950 -5423 -10111 -560 628 769 -2341 -822 9352 -3866 -2861 -96 1772 -3493 -427 -4450 -1575 -1176 2293 -2484 766 566 1389 1285 945 69 2750 2534 948 1893 419 683 402 1270 2292 1073 -14 267 -628 1765 724 1029 1645 223 108 44 -843 318 -719 549 1283 824 -349 -538 55 -1705 -1276 -1326 -849 -1239 -472 -438 -410 -53 691 698 1830 1249 1071 389 587 -395 -568 -533 -631 200 757 -160 -762 -598 -822 -135 469 -177 -673 -177 -69 -71 442 947 1122 487 -276 -904 -455 -217 -114 92 26 258 1209 893 142 630 68 548 263 377 -307 -172 154 -493 -535 -181 -245 -136 279 -1093 551 -1258 -94 -254 -467 365 -298 -377 -1239 -573 -980 -677 377 -91 -825 204 608 535 -669 -112 91 -928 -107 -453 1018 -580 -437 -854 -47 59 81 -275 -97 993 -479 -396 -15 328 -770 -100 -1134 -404 -307 588 -672 204 153 384 375 299 24 995 971 384 788 179 291 169 534 996 508 -7 147 -352 947 384 560 966 145 75 31 -598 215 -463 325 719 468 -215 -371 42 -1425 -1126 -1223 -820 -1255 -494 -466 -436 -55 678 650 1641 1138 1041 413 680 -496 -744 -698 -794 237 861 -186 -923 -756 -1074 -183 664 -267 -1066 -287 -111 -111 664 1380 1634 731 -431 -1459 -739 -348 -179 142 39 375 1715 1288 216 1017 116 961 474 700 -593 -342 312 -1014 -1104 -367 -486 -262 529 SS 20240710T111559.3Z 8957.469436 91 1 50.37 2 73.00 75.13 117.82 46.33 0.00 1 0.00 1 0 25 4.249e-02 6.007e-03 9.655e-03 9.056e-04 4.430166e-01 4.811878e-04 5.145433e-03 -6.000000e+00 2.572344e-02 232.89 -2.00 3.51 -2.00 319.03 0.00e+00 6.390379e-04 1.180131e-04 2.401666e-04 -6.000000e+00 1.149598e-03 289.17 -2.00 20.00 -2.00 318.21 0.00e+00 3.368 0.001 302.00 328.00 3 1.6711e+00 1.3490e-03 4.1165e-02 -6.0000e+00 6.4512e-02 -4.3262e-03 1.5618e-03 2.3618e-02 -6.0000e+00 6.9562e-02 -1.0472e-02 1.1185e-03 1.1357e-02 -6.0000e+00 4.1430e-02 -1.7503e-03 5.8220e-04 3.3063e-03 -6.0000e+00 1.7453e-02 2.0662e-03 3.0018e-04 2.7702e-05 3.7532e-05 -6.0000e+00 1.2785e-03 1.2384e-02 0.0000e+00 11 1 0 11 4 0 83.55 22.78 0.19 0.01238 0.01464 190 36 1 5 0 265.060 26.11 19.99 22.78 32.59 38.0 1100.00 -20962 15627 -24819 -7262 -12669 -7056 1359 816 -9663 -15938 -9581 -10151 -7738 4588 -2124 -7624 2416 4954 3674 -4201 1457 670 -4648 -997 -1055 4447 -2987 -1760 -2438 1070 1147 563 -2481 -216 1866 -1264 -1462 1014 140 -1896 -653 -2252 -1069 -1395 640 -1685 -137 -94 1164 956 725 240 1367 1144 388 895 -242 677 618 1344 1470 1336 509 81 58 852 817 1236 1150 123 -2 -464 -515 -138 -243 315 721 1113 -130 -171 -505 -1562 -1198 -1090 -1072 -823 -444 -513 -257 65 507 744 1441 1445 1270 773 635 -444 -550 -392 -699 33 657 -55 -1038 -479 -842 -150 -44 -10 -355 -224 -98 -20 585 731 981 516 -182 -684 -393 -204 -349 17 57 292 1246 887 295 541 36 355 169 342 -281 -99 117 -465 -465 -203 -223 -177 295 -616 352 -811 -192 -337 -185 36 25 -351 -643 -387 -464 -409 256 -145 -608 189 404 320 -407 137 65 -498 -111 -125 514 -365 -206 -286 129 153 85 -411 -36 297 -213 -277 221 36 -555 -205 -749 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