File name: Pandora206s1_BuffaloNY_20231104_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T065349.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Kang Sun 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_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20231104_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: 20231104 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 20231104T165420.1Z 8708.704400 340 1 25.87 2 58.45 178.76 74.69 288.06 0.00 1 0.00 1 0 17 7.404e-02 1.656e-02 3.679e-02 8.838e-03 2.520176e-01 4.303249e-03 3.092748e-03 -6.000000e+00 4.085360e-02 223.70 -2.00 3.55 -2.00 317.78 0.00e+00 3.254304e-03 7.037442e-04 2.327985e-04 -6.000000e+00 1.804094e-03 279.13 -2.00 20.00 -2.00 317.11 0.00e+00 1.904 0.000 302.00 328.00 3 7.2059e+00 1.1394e-02 2.2731e-02 -6.0000e+00 1.0074e-01 3.6225e-02 1.2919e-02 1.3767e-02 -6.0000e+00 1.0990e-01 2.4291e-02 8.1006e-03 6.5606e-03 -6.0000e+00 6.5525e-02 -1.6760e-02 4.1472e-03 3.2564e-03 -6.0000e+00 2.8055e-02 4.3997e-05 -4.5063e-04 2.4654e-04 2.8373e-05 -6.0000e+00 1.8847e-03 -1.8079e-02 1.9637e-04 12 8 8 10 0 0 99.94 18.08 0.77 -0.01808 -0.02147 7 7 1 8 0 3695.230 15.00 18.08 18.48 21.58 21.48 19.3 963.84 -10607 35020 -324 13972 -15964 42029 -6989 13456 -2909 -971 18911 -5019 12109 -10351 11679 -1835 12606 -3498 2884 -7286 8865 -6347 6389 474 583 1553 269 6018 -3932 11612 295 42265 -6561 606 -4048 -3136 -6237 -2389 1839 -4628 1442 -5792 819 -3539 4110 -2300 -642 -6052 -221 -4222 2690 891 -612 361 915 1 -2872 2743 4517 362 -1464 3877 31 2179 -772 1430 -705 -666 -712 6929 1546 411 804 -1 2849 -3488 -165 -3444 -2272 -3652 776 -1248 -2567 -1375 -1386 1339 -720 116 489 2330 931 1342 -1271 337 -532 -1312 2473 147 1621 180 2101 -1835 -1677 -1437 634 -2064 -282 -267 697 -172 1039 919 -1463 -665 -424 787 -880 67 -1544 767 -655 55 -542 562 995 741 -787 693 1365 -1550 1227 -242 833 -1072 -73 -587 949 131 1087 -422 -311 -425 -242 -1020 2377 -33 1159 -1552 2220 -630 1085 -307 -106 1656 -564 1310 -1584 1661 -336 2092 -710 573 -1664 1762 -1440 1329 106 135 381 68 1350 -904 2263 69 7274 -1946 176 -1132 -832 -1868 -790 698 -2139 687 -3084 424 -1945 2090 -1257 -340 -3301 -112 -2205 1385 502 -368 227 590 1 -1976 1776 2807 233 -991 2685 24 1748 -639 1092 -508 -464 -522 5375 1350 379 738 -1 2367 -2762 -117 -2390 -1624 -2910 665 -1172 -2608 -1434 -1550 1520 -878 145 614 2765 1061 1389 -1268 317 -534 -1426 2878 190 2196 242 2673 -2233 -1898 -1674 794 -2715 -380 -379 1024 -265 1668 1494 -2340 -1008 -585 1033 -1171 92 -2254 1173 -1008 85 -827 809 1388 990 -1008 876 1844 -2236 1813 -374 1289 -1747 -122 -1038 1688 241 1999 -763 -541 -736 -408 SS 20231104T170031.9Z 8708.708702 342 1 38.99 2 58.45 180.51 75.74 288.97 0.00 1 0.00 1 0 17 9.539e-03 5.277e-03 4.847e-03 1.502e-03 2.533518e-01 7.329443e-04 3.099888e-03 -6.000000e+00 5.261197e-03 223.70 -2.00 3.55 -2.00 317.40 0.00e+00 4.884696e-04 1.078272e-04 5.696383e-05 -6.000000e+00 2.324595e-04 279.13 -2.00 20.00 -2.00 316.72 0.00e+00 1.904 0.000 302.00 328.00 3 4.5734e+00 1.9228e-03 2.2618e-02 -6.0000e+00 1.2974e-02 -1.6409e-02 2.1739e-03 1.2951e-02 -6.0000e+00 1.4155e-02 5.7354e-03 1.3234e-03 6.4505e-03 -6.0000e+00 8.4392e-03 -5.3460e-03 6.6249e-04 1.8877e-03 -6.0000e+00 3.6119e-03 6.3880e-04 -3.6498e-05 4.1903e-05 1.9964e-05 -6.0000e+00 2.4287e-04 -1.6627e-02 1.3512e-04 12 1 1 12 1 1 99.99 18.09 0.38 -0.01663 -0.01690 67 25 1 8 0 573.280 15.00 18.09 18.60 21.58 21.48 19.4 965.21 -3740 1398 -2182 -625 -4302 -540 -3473 -13 -1161 936 -1158 -1372 -589 -2199 614 490 -150 -209 364 914 1348 -291 258 318 741 -153 -22 -383 -1351 869 477 640 1217 627 -2141 -2077 -1755 -756 -568 -24 -747 -315 -509 -841 -566 -449 -854 -725 -549 -820 943 699 963 1283 903 553 713 680 400 157 920 1323 1329 1868 310 153 -421 -616 -40 535 269 352 245 517 302 -138 -287 -689 -238 -847 -771 -919 -2003 -1498 -1147 -553 -246 -70 267 539 231 467 57 369 367 353 627 713 196 -64 -160 -502 -770 -175 -541 -995 -717 -392 -262 329 345 162 21 45 -116 158 93 117 -54 177 -257 -24 357 251 599 322 241 943 577 349 263 112 -260 12 69 -78 -102 73 74 -338 -92 -391 -376 -409 160 -267 -71 -439 -50 -355 -1 -145 122 -151 -181 -87 -380 118 105 -34 -49 88 227 340 -73 66 87 210 -42 -7 -108 -354 219 129 185 383 207 -667 -624 -579 -260 -235 -12 -400 -175 -293 -490 -327 -260 -486 -401 -297 -444 532 425 615 865 631 393 518 492 284 111 663 938 1026 1540 259 117 -327 -465 -32 444 246 336 234 474 258 -106 -217 -494 -178 -662 -678 -896 -2108 -1632 -1237 -637 -297 -87 334 646 255 510 57 354 375 400 727 921 271 -86 -202 -586 -914 -198 -675 -1313 -986 -564 -367 490 542 258 32 64 -163 207 122 160 -80 260 -387 -35 514 372 838 432 306 1195 791 513 407 166 -392 18 114 -137 -183 126 128 -608 -159 -655 -615 SS 20231104T171335.4Z 8708.717771 344 1 7.88 2 58.55 184.20 77.94 290.90 0.00 1 0.00 1 0 17 1.128e-02 5.746e-03 9.971e-03 3.410e-03 2.522914e-01 1.661557e-03 3.096492e-03 -6.000000e+00 6.222055e-03 223.70 -2.00 3.55 -2.00 317.17 0.00e+00 3.936104e-04 2.337792e-04 5.498224e-05 -6.000000e+00 2.748364e-04 279.13 -2.00 20.00 -2.00 316.50 0.00e+00 1.909 0.000 302.00 328.00 3 4.6382e+00 4.3490e-03 2.2635e-02 -6.0000e+00 1.5343e-02 -1.6158e-02 4.9110e-03 1.2907e-02 -6.0000e+00 1.6740e-02 8.7868e-03 2.9616e-03 6.4355e-03 -6.0000e+00 9.9800e-03 -6.3137e-03 1.4654e-03 1.8720e-03 -6.0000e+00 4.2720e-03 5.9626e-04 1.0892e-04 9.3504e-05 1.9758e-05 -6.0000e+00 2.8714e-04 -1.7196e-02 1.6378e-04 12 1 1 12 1 1 99.88 18.09 0.33 -0.01720 -0.01638 7 15 1 8 0 983.880 15.00 18.09 19.38 21.58 21.48 19.5 971.27 -796 -3696 -1900 -2276 -5358 518 -3399 -1648 -718 -250 -2077 -3352 -317 -188 -747 -238 -1132 1340 4230 1918 1131 519 586 -1 164 -395 115 -727 -56 -723 2050 711 1166 20 -2854 -1776 -2350 -1150 326 36 -371 -248 -1024 -67 -452 45 -659 -24 -953 -389 593 359 -96 765 844 -178 1124 285 917 319 759 1335 895 1835 719 107 -602 -439 -101 113 734 801 369 195 180 8 -354 -568 325 -912 -1182 -1040 -1925 -1848 -761 -676 -149 -294 484 507 466 281 -50 421 230 213 241 820 301 -87 -278 -530 -1000 -429 -438 -610 -757 -810 56 313 396 377 -106 -132 -420 43 635 11 7 -45 -235 115 217 579 420 554 306 731 452 369 441 157 25 64 134 43 -283 287 172 -459 -342 -534 -533 -95 -501 -262 -296 -624 54 -392 -209 -101 -37 -309 -511 -53 -36 -164 -53 -263 315 1005 483 294 133 153 0 48 -122 36 -212 -16 -209 616 211 376 7 -919 -546 -800 -448 151 18 -205 -143 -613 -40 -270 27 -388 -13 -536 -217 347 227 -64 536 610 -132 841 214 669 232 567 1068 723 1576 623 85 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