File name: Pandora21s1_Bremen_20230101_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T200916.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20230101_L1_smca1c6d20211128p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20230101 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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 20230101T103541.4Z 8401.441451 236 1 49.38 2 76.94 167.61 100.29 50.31 0.00 1 0.00 1 0 25 1.195e-01 4.251e-03 4.648e-02 9.954e-04 5.902770e-01 5.254507e-04 7.512040e-03 -6.000000e+00 6.955740e-02 220.74 -2.00 3.88 -2.00 320.64 0.00e+00 1.413998e-03 1.824093e-04 5.345044e-04 -6.000000e+00 2.863557e-03 266.56 -2.00 20.00 -2.00 320.35 0.00e+00 4.313 0.002 302.00 328.00 3 6.7782e-01 1.5232e-03 5.3970e-02 -6.0000e+00 1.7134e-01 4.5646e-02 1.9654e-03 3.3862e-02 -6.0000e+00 1.8686e-01 -1.3655e-02 2.1799e-03 1.8788e-02 -6.0000e+00 1.1041e-01 -5.5995e-03 1.1283e-03 6.2448e-03 -6.0000e+00 4.6692e-02 1.9658e-03 -9.6514e-04 3.0616e-05 7.9345e-05 -6.0000e+00 3.5782e-03 -7.9308e-03 0.0000e+00 10 0 0 10 0 0 99.83 22.20 0.20 -0.00793 -0.01518 522 102 1 5 0 94.390 25.28 20.00 22.20 20.80 31.1 1006.21 -6994 -57111 -1972 -24418 -60850 -17343 -48444 -10184 -68559 -614 -40819 4560 -33779 -8968 -6799 -6029 7350 -14839 10854 -12406 9614 -8554 2155 -3443 -4792 -3970 -12921 12 -13018 6267 -6904 4653 -3855 1744 -3418 -5230 -1228 -1253 1856 -4353 1333 -3226 258 -1992 -651 284 41 1402 -830 2325 -655 2810 -212 1070 -304 784 610 -601 901 -566 2186 546 2238 965 408 589 346 857 477 1003 -215 623 -349 318 -353 274 -118 -56 452 -762 -129 -1253 -1162 -1625 -860 -903 -390 -29 162 423 370 1035 615 1203 629 830 782 652 4 -277 -14 -534 340 -183 -484 -896 -530 -455 -206 7 -174 -52 -191 153 50 630 454 376 -12 -497 -432 -284 -52 -269 233 -139 717 904 578 185 39 45 -3 116 -225 -105 -58 128 -278 -75 28 -68 102 -30 -434 -10 -159 -497 -98 -364 -65 -815 -4 -436 38 -459 -120 -112 -109 133 -371 229 -350 226 -246 58 -106 -163 -133 -487 0 -480 215 -285 202 -211 98 -203 -315 -76 -91 158 -442 147 -405 33 -271 -89 39 6 200 -126 362 -115 528 -45 245 -75 202 162 -163 237 -149 568 155 700 341 155 224 129 322 193 455 -103 315 -180 157 -174 122 -48 -22 192 -376 -74 -776 -798 -1204 -673 -753 -342 -26 147 375 311 806 455 879 495 737 798 714 5 -348 -17 -598 366 -192 -528 -1045 -611 -557 -271 10 -277 -84 -314 246 81 962 680 575 -20 -797 -705 -480 -85 -425 353 -202 999 1255 866 309 68 85 -6 240 -471 -234 -134 299 -656 -174 63 -150 215 SS 20230101T104520.1Z 8401.448150 239 1 49.29 2 76.65 169.87 99.16 52.30 0.00 1 0.00 1 0 25 1.339e-01 4.140e-03 3.507e-02 9.272e-04 5.818002e-01 4.883257e-04 7.447498e-03 -6.000000e+00 7.793517e-02 220.74 -2.00 3.88 -2.00 320.56 0.00e+00 1.231185e-03 1.662525e-04 5.047897e-04 -6.000000e+00 3.208367e-03 266.56 -2.00 20.00 -2.00 320.27 0.00e+00 4.228 0.002 302.00 328.00 3 6.4596e-01 1.4052e-03 5.3015e-02 -6.0000e+00 1.9197e-01 5.3658e-02 1.7947e-03 3.3318e-02 -6.0000e+00 2.0936e-01 -2.3247e-02 1.9582e-03 1.8309e-02 -6.0000e+00 1.2370e-01 -9.9546e-04 1.0180e-03 6.0177e-03 -6.0000e+00 5.2318e-02 2.2129e-03 -8.9545e-04 2.8302e-05 7.9145e-05 -6.0000e+00 4.0088e-03 -8.3479e-03 0.0000e+00 10 0 0 10 0 0 98.22 22.20 0.18 -0.00835 -0.01508 561 110 1 5 0 87.689 25.28 20.00 22.20 20.95 31.3 1008.28 -42464 -44150 -57990 -8779 -65911 -16591 -68055 -11211 -56195 -5579 -45767 -21934 -16002 -18430 7699 -24034 -494 -12228 839 -10137 -998 -6507 -3744 -7402 -10224 -3745 -8349 -1121 -8574 2302 -9671 1898 2076 -797 -571 -2792 93 -1555 3540 -2551 1053 -1902 -117 -1134 -717 -483 -864 1134 -656 1350 653 1858 878 968 502 815 830 -554 700 -150 1107 702 1806 1032 883 738 737 838 515 932 -104 217 -310 -4 -159 403 507 -368 136 -553 -10 -987 -1285 -1372 -1036 -714 -367 -30 241 162 380 1131 484 865 690 538 755 579 -153 -284 -69 -474 345 122 -779 -856 -657 -411 -64 -8 -74 -185 -125 134 181 514 472 336 69 -358 -450 -211 -142 -233 179 19 695 901 535 280 66 55 -12 208 -188 -197 -48 95 -253 -130 -22 -104 177 -293 -367 -551 -56 -641 -105 -703 -81 -665 -48 -576 -243 -203 -301 121 -572 -11 -326 21 -305 -28 -199 -116 -257 -398 -146 -325 -43 -351 88 -439 90 114 -49 -35 -174 6 -119 313 -287 122 -248 -16 -160 -103 -70 -128 169 -103 220 117 365 192 229 128 216 228 -155 190 -40 299 205 582 374 342 287 280 321 212 431 -54 120 -173 -2 -79 181 209 -150 58 -275 -6 -656 -890 -1022 -818 -598 -324 -27 221 145 321 885 361 637 544 480 772 673 -186 -357 -84 -562 371 127 -852 -997 -806 -502 -83 -11 -118 -297 -204 226 290 780 700 510 111 -602 -772 -354 -231 -366 269 27 961 1241 793 465 114 102 -23 426 -410 -430 -109 219 -589 -298 -49 -227 367 SS 20230101T105250.7Z 8401.453365 243 1 49.99 2 76.47 171.64 98.27 53.83 0.00 1 0.00 1 0 25 1.243e-01 4.010e-03 3.353e-02 8.859e-04 5.754392e-01 4.677868e-04 7.366736e-03 -6.000000e+00 7.235252e-02 220.74 -2.00 3.88 -2.00 320.59 0.00e+00 1.452663e-03 1.593979e-04 5.071903e-04 -6.000000e+00 2.978536e-03 266.56 -2.00 20.00 -2.00 320.30 0.00e+00 4.175 0.002 302.00 328.00 3 4.8708e-01 1.3514e-03 5.2408e-02 -6.0000e+00 1.7822e-01 4.0088e-02 1.7209e-03 3.2996e-02 -6.0000e+00 1.9436e-01 -5.6245e-03 1.8746e-03 1.8175e-02 -6.0000e+00 1.1484e-01 -8.8190e-03 9.7513e-04 5.9941e-03 -6.0000e+00 4.8570e-02 2.7499e-03 -8.4989e-04 2.7373e-05 7.8969e-05 -6.0000e+00 3.7216e-03 -8.3826e-03 0.0000e+00 10 0 0 10 0 0 98.65 22.20 0.18 -0.00838 -0.01477 857 168 1 5 0 56.860 25.28 20.00 22.20 21.14 31.5 1008.96 -68138 -6213 -38372 -13169 -65304 -32070 -59861 -34382 -23203 -36442 -9134 -38300 -159 -22230 -3598 -14528 -2334 -6106 -139 -1403 -10279 5659 -6830 3634 -9096 -1596 -6609 -960 -3199 -3106 -175 -1662 4652 -2377 1485 -3719 769 -2074 -1032 -435 -1909 -527 -1924 864 -925 569 -1018 285 322 973 1102 480 1814 550 1242 -308 922 -510 304 83 709 1326 873 1433 361 1068 134 884 414 864 151 -139 24 -326 102 -419 385 -335 296 -376 -484 -727 -1599 -955 -1202 -662 -537 52 44 401 610 886 1056 844 857 352 795 489 -71 -297 -176 -320 121 304 -787 -762 -730 -294 -60 62 -68 -46 -28 82 238 399 610 245 89 -478 -529 -249 -256 -155 -39 161 480 988 360 315 189 39 -27 71 -160 -262 81 127 -185 -178 75 -139 141 -605 -35 -325 -87 -630 -237 -621 -313 -215 -388 -87 -499 -2 -378 -63 -315 -51 -153 -4 -39 -322 154 -219 114 -327 -57 -254 -37 -125 -117 -7 -83 250 -149 90 -235 50 -161 -90 -45 -230 -68 -268 121 -134 83 -153 43 51 161 198 97 396 132 316 -83 255 -144 84 22 195 389 287 522 142 417 52 341 172 377 74 -73 13 -166 48 -192 160 -137 128 -188 -264 -455 -1117 -711 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