File name: Pandora55s1_QueensNY_20211205_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105115.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20211205_L1_smca1c19d20211111p1-8.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: 20211205 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: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20211205T131210.6Z 8009.550122 76 1 49.30 2 80.33 131.12 95.61 120.74 0.00 1 0.00 1 0 25 3.837e-01 8.745e-03 1.453e-01 1.972e-03 6.747731e-01 1.064960e-03 7.743624e-03 -6.000000e+00 2.244578e-01 222.97 -2.00 3.51 -2.00 320.92 0.00e+00 4.459243e-03 4.756333e-04 2.233257e-03 -6.000000e+00 1.001228e-02 278.35 -2.00 20.00 -2.00 320.39 0.00e+00 5.684 0.003 302.00 328.00 3 5.2761e-01 3.3929e-03 6.7738e-02 -6.0000e+00 5.5264e-01 7.6196e-02 4.5949e-03 4.0364e-02 -6.0000e+00 6.0241e-01 -6.0984e-02 4.7622e-03 1.8611e-02 -6.0000e+00 3.5835e-01 1.5096e-02 2.3119e-03 7.5858e-03 -6.0000e+00 1.5078e-01 5.6199e-04 -2.2344e-03 5.7097e-05 7.6728e-05 -6.0000e+00 1.1664e-02 6.7360e-04 -1.0831e-04 11 8 0 10 0 0 0.15 22.69 0.26 0.00067 -0.01612 155 29 1 5 0 317.790 25.58 20.00 22.69 11.26 29.8 973.65 -120742 6647 900000 -179666 -116020 -105351 -119889 900000 51401 -122686 -152318 -107836 -112352 -118590 900000 -41386 -85987 -40573 92483 24381 -3908 -23029 1460 -25325 -36742 -19429 47794 -18730 -36100 -49075 -14354 -10175 -1893 -32569 -4958 28288 -3435 -11743 9772 5519 -3559 2653 -9031 -366 -335 9790 -5448 8176 2135 6971 895 1219 120 6811 6544 1025 4015 210 3546 98 3533 4348 4161 -1006 4242 -337 5137 284 2841 2390 -303 283 229 -1433 264 10 1141 2330 1354 -110 64 -153 -435 -1265 -2106 -1610 -1104 -520 -849 -674 -386 616 364 1220 827 1344 -375 834 -359 -630 -432 -573 465 1160 -153 -1100 -622 -984 32 40 -6 -1107 -44 -94 -139 906 883 1299 256 -328 -857 -290 98 181 93 -193 543 1407 633 -260 507 40 515 257 338 -570 -191 107 -400 -496 -175 -38 14 278 -627 13 900000 -2259 -764 -611 -842 900000 99 -1231 -2197 -1160 -1565 -2274 900000 -600 -2204 -763 538 293 -64 -463 24 -575 -1009 -483 655 -480 -1099 -1784 -436 -357 -72 -1829 -221 920 -158 -665 544 381 -306 238 -957 -37 -35 968 -636 875 253 848 125 189 21 1211 1251 217 861 47 767 22 762 988 1051 -299 1310 -112 1617 94 976 918 -132 131 109 -676 116 4 426 838 516 -48 32 -87 -275 -866 -1534 -1230 -883 -430 -715 -562 -311 469 265 871 620 1112 -354 871 -415 -769 -525 -661 494 1171 -157 -1192 -701 -1165 39 53 -8 -1729 -71 -151 -219 1374 1313 1939 396 -529 -1417 -476 157 282 142 -288 784 1992 935 -417 880 73 998 517 708 -1251 -432 245 -928 -1149 -397 -83 30 573 SS 20211205T132048.7Z 8009.556120 81 1 48.67 2 79.12 132.72 94.28 122.04 0.00 1 0.00 1 0 25 2.744e-01 7.229e-03 1.019e-01 1.373e-03 6.160429e-01 7.238554e-04 7.143425e-03 -6.000000e+00 1.593752e-01 222.97 -2.00 3.51 -2.00 320.48 0.00e+00 2.648164e-03 2.826102e-04 1.355174e-03 -6.000000e+00 7.068758e-03 278.35 -2.00 20.00 -2.00 319.93 0.00e+00 5.104 0.002 302.00 328.00 3 4.7998e-01 2.1891e-03 6.0181e-02 -6.0000e+00 3.9185e-01 5.3991e-02 2.8081e-03 3.3873e-02 -6.0000e+00 4.2678e-01 -3.5074e-02 2.7425e-03 1.6470e-02 -6.0000e+00 2.5472e-01 4.3736e-03 1.3729e-03 5.5956e-03 -6.0000e+00 1.0729e-01 1.0835e-03 -1.9730e-03 3.9937e-05 6.4354e-05 -6.0000e+00 8.1840e-03 -1.0559e-04 -7.6184e-05 11 8 0 10 0 0 72.69 22.70 0.20 -0.00011 -0.01493 225 43 1 5 0 216.250 25.58 19.99 22.70 12.13 30.0 978.12 -42611 -16231 166341 -130371 -60160 -96860 -86938 -23237 -34566 -49977 -108064 -33309 -87673 -55246 489 -13267 -47326 40631 20679 5388 2807 -20907 -4515 -22462 -8931 -9796 26332 -15029 -10982 -25371 -11096 3427 -404 -10766 -6176 15411 -3926 -3629 3617 1387 -4541 -48 -4114 -2352 -1123 2397 -1794 780 2073 4281 1606 385 1231 2855 3846 381 1968 -116 871 942 1375 3831 1969 865 759 403 2682 597 1941 2025 371 -526 137 -1473 339 -358 966 1463 1049 150 -204 -247 -1217 -1000 -1809 -906 -1201 -672 -721 -521 -104 131 258 1332 1350 1221 620 464 -345 -475 -417 -456 453 1086 -242 -914 -567 -849 -89 85 -73 -717 -180 79 -91 770 1199 1013 431 -456 -901 -427 -59 -1 -40 -15 364 1497 864 -48 256 -45 277 296 187 -329 -282 -7 -445 -434 -116 15 97 285 -212 -75 223 -1945 -439 -993 -851 -141 -268 -480 -1935 -328 -1754 -1024 7 -249 -1397 595 392 127 71 -662 -130 -803 -305 -362 723 -602 -421 -1173 -504 161 -22 -730 -408 838 -264 -281 307 145 -566 -6 -602 -353 -170 359 -279 122 333 713 299 81 277 691 989 104 565 -34 254 270 395 1142 650 316 303 166 1061 241 819 933 191 -295 79 -835 177 -176 440 636 477 76 -119 -162 -887 -772 -1466 -776 -1070 -624 -667 -486 -93 111 211 1053 1119 1109 624 514 -415 -610 -531 -554 506 1157 -266 -1048 -672 -1048 -117 118 -108 -1145 -294 128 -146 1178 1794 1528 669 -740 -1491 -701 -95 -1 -61 -22 534 2125 1284 -76 442 -82 527 581 378 -699 -619 -15 -987 -974 -255 32 198 572 SS 20211205T132655.5Z 8009.560365 84 1 48.68 2 78.28 133.88 93.35 122.97 0.00 1 0.00 1 0 25 1.673e-01 6.805e-03 4.730e-02 1.364e-03 5.803580e-01 7.165452e-04 6.752660e-03 -6.000000e+00 9.720366e-02 222.97 -2.00 3.51 -2.00 320.27 0.00e+00 1.879420e-03 2.608664e-04 1.026222e-03 -6.000000e+00 4.365687e-03 278.35 -2.00 20.00 -2.00 319.71 0.00e+00 4.766 0.002 302.00 328.00 3 8.2066e-01 2.1252e-03 5.6106e-02 -6.0000e+00 2.3900e-01 4.3382e-02 2.6586e-03 3.1129e-02 -6.0000e+00 2.6026e-01 -1.7719e-02 2.5001e-03 1.5314e-02 -6.0000e+00 1.5544e-01 -3.3677e-03 1.2686e-03 4.9458e-03 -6.0000e+00 6.5742e-02 1.1001e-03 -1.5113e-03 4.0343e-05 5.8799e-05 -6.0000e+00 4.9950e-03 -1.0650e-03 -1.3396e-05 11 8 0 10 0 0 99.86 22.70 0.23 -0.00107 -0.01242 223 42 1 5 0 218.250 25.58 19.99 22.70 12.49 29.9 979.54 -39375 -22880 900000 -102438 -24544 -60446 -39963 14923 -20876 -45214 -78233 -40426 -58870 -39535 7880 -21641 -41201 -6972 12093 5242 -6650 -7077 1557 -13594 -5300 -16387 12232 -12070 -6645 -19585 -4886 -511 -1671 -10005 -1994 9423 -3283 -2104 3458 819 -4947 -459 -4386 -1798 -860 2927 -1394 1653 1631 2854 2084 559 508 3091 2852 1069 1934 -5 1142 309 1255 2996 1970 348 401 123 1855 802 2038 1334 -180 -470 -201 -1005 213 -166 948 1209 1792 341 -350 -304 -1320 -967 -1636 -1169 -1210 -442 -755 -528 -258 288 441 1539 1283 1123 427 676 -218 -509 -336 -508 413 908 -177 -950 -484 -806 -2 62 -49 -617 -292 24 -9 727 1090 949 413 -290 -950 -512 -100 -74 122 -115 424 1435 905 -75 284 -91 326 283 170 -439 -74 49 -411 -505 -129 -81 63 326 -262 -154 900000 -1592 -176 -603 -343 84 -191 -581 -1424 -592 -1183 -828 136 -571 -1441 -203 317 157 -234 -255 53 -552 -216 -802 488 -580 -299 -1038 -250 -30 -114 -775 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