File name: Pandora75s1_EssexMD_20241127_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20241128T050006.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20241127_L1_smca1c1d20221230p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20241127 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: OoB-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 20241127T125517.9Z 9097.538401 168 1 51.57 2 82.24 125.78 53.66 158.10 0.00 1 0.00 1 0 17 4.274e-01 2.021e-02 5.810e-02 2.861e-03 7.761363e-01 1.606566e-03 9.839489e-03 -6.000000e+00 2.550651e-01 223.37 -2.00 3.48 -2.00 321.44 0.00e+00 1.010191e-02 7.975067e-04 7.103004e-03 -6.000000e+00 1.124919e-02 280.35 -2.00 20.00 -2.00 320.96 0.00e+00 6.900 0.006 302.00 328.00 3 1.1067e-01 5.5024e-03 8.4782e-02 -6.0000e+00 6.2741e-01 6.3533e-01 7.1836e-03 5.3287e-02 -6.0000e+00 6.7946e-01 -8.8321e-01 6.4770e-03 3.0685e-02 -6.0000e+00 4.0572e-01 3.6291e-01 3.0951e-03 1.1314e-02 -6.0000e+00 1.7436e-01 2.2425e-04 -2.1566e-03 8.1498e-05 2.6382e-04 -6.0000e+00 1.3141e-02 -2.6535e-02 1.0508e-04 12 9 8 11 8 0 52.49 22.94 0.64 -0.02654 -0.04274 138 22 1 5 0 373.630 25.79 20.00 22.94 12.56 5.8 910.49 -189174 -130727 -96422 -58128 -139736 -139331 -95937 -144598 -137432 -141277 -144460 -121278 -85618 -79571 -58514 6133 -36898 -23700 -9597 -4795 6562 -10924 -13266 -13716 -16131 -21862 -6866 -22300 -11881 -56922 -10879 -16226 6314 5326 4871 40250 -12532 13682 9537 7172 15863 17808 11394 22499 25352 21696 20062 17926 30535 27854 26862 26810 29925 29871 20839 12881 11033 15954 8977 12443 2331 8486 12563 15989 10338 6265 6270 6579 9651 13235 8967 5917 6488 -125 2476 -3273 -3768 -7877 -3193 -2185 -2054 -4012 -704 -815 -481 -225 533 1963 598 -173 -2755 -4848 -2424 -5860 -3804 -2222 -592 -515 -471 -1128 -1744 -3021 -1684 -2020 -2503 -1914 -2374 -1063 -131 743 676 430 -347 -432 -623 -610 62 393 860 983 1900 2166 2664 1819 1283 240 446 -182 178 652 174 -270 72 -124 -194 37 511 359 65 -283 -1033 -1605 -7965 -3581 -1981 -781 -3792 -3428 -1484 -3704 -3381 -3691 -3994 -2953 -1824 -2079 -1573 104 -1095 -673 -251 -122 146 -280 -378 -398 -486 -701 -188 -691 -331 -2732 -395 -747 266 241 215 1213 -675 641 545 486 1093 1282 912 1651 1832 1659 1601 1520 2411 2432 2616 2895 3415 3667 2936 2013 1767 2386 1390 1830 392 1477 2390 3306 2405 1528 1543 1689 2639 3936 3032 2133 2275 -44 765 -967 -1065 -2415 -1066 -862 -954 -2177 -370 -458 -287 -142 348 1293 397 -112 -1714 -2925 -1413 -3754 -2720 -1839 -566 -518 -513 -1240 -1817 -3161 -1605 -1924 -2528 -2039 -2494 -1203 -164 1046 981 668 -551 -672 -937 -897 92 608 1391 1625 3064 3355 4288 2851 1953 360 666 -294 300 1243 342 -578 164 -281 -469 92 1311 929 167 -692 -2386 -3769 SS 20241127T130613.7Z 9097.545992 171 1 51.61 2 80.55 127.71 52.98 161.27 0.00 1 0.00 1 0 17 5.046e-01 1.403e-02 3.010e-02 1.353e-03 6.828709e-01 7.434603e-04 8.517760e-03 -6.000000e+00 3.012576e-01 223.37 -2.00 3.48 -2.00 320.81 0.00e+00 6.033129e-03 3.187855e-04 4.813436e-03 -6.000000e+00 1.328406e-02 280.35 -2.00 20.00 -2.00 320.30 0.00e+00 5.799 0.003 302.00 328.00 3 6.4189e-02 2.3422e-03 7.0187e-02 -6.0000e+00 7.4104e-01 2.2245e-01 3.0517e-03 4.3055e-02 -6.0000e+00 8.0243e-01 -3.1175e-01 2.9289e-03 2.4233e-02 -6.0000e+00 4.7915e-01 1.2279e-01 1.4372e-03 8.2855e-03 -6.0000e+00 2.0598e-01 7.7240e-04 -1.5366e-03 3.9193e-05 1.5938e-04 -6.0000e+00 1.5515e-02 -2.7355e-02 1.5011e-04 12 8 8 10 0 0 20.32 22.94 0.49 -0.02736 -0.03890 280 46 1 5 0 184.310 25.79 20.00 22.94 14.54 5.7 924.67 -211649 -155615 -158431 -141235 -179204 -169165 -137165 -168598 -150192 -147608 -135251 -127030 -99007 -97765 -74597 -49191 -45922 -51380 -25348 -25498 -25810 -24695 -29138 -21056 -32243 -30311 -20002 -31262 -21153 -35724 -12155 -12151 -1518 -6338 -5237 -6229 -9902 -2176 3035 390 4491 3792 5287 6178 8588 10228 7897 7514 9170 7837 7426 10070 11058 11195 8383 4751 5141 4201 3080 2244 3484 4012 6497 6901 4779 3243 2462 2431 2775 4448 3251 2829 2020 -278 372 -2396 -3298 -5257 -3122 -2712 -2117 -2575 -1578 -1532 -478 -374 115 1260 769 82 -489 -1791 -1786 -2590 -2156 -841 -14 376 87 -690 -1242 -2027 -1451 -1386 -1462 -1613 -1096 -362 536 1017 877 732 254 -88 -416 -262 177 350 594 751 996 1275 1473 957 530 -24 18 -1 168 185 -63 -370 -337 -238 -134 46 314 385 31 -131 -537 -949 -4745 -2388 -2735 -2049 -3545 -2900 -1760 -3214 -2611 -2690 -2551 -2496 -1841 -2334 -1800 -1122 -1169 -1538 -635 -673 -698 -661 -838 -591 -1072 -1031 -625 -1080 -664 -1413 -450 -540 -70 -331 -268 -321 -573 -135 215 34 420 386 560 671 930 1118 910 905 1146 1071 1129 1663 1986 2179 1780 1086 1195 980 710 518 826 1041 1865 2206 1650 1137 873 817 1022 1823 1477 1344 955 -127 155 -927 -1343 -2043 -1337 -1366 -1240 -1727 -1055 -1095 -361 -300 96 1066 652 68 -380 -1331 -1300 -1991 -1854 -829 -15 445 104 -823 -1513 -2271 -1504 -1440 -1608 -1884 -1357 -447 726 1431 1361 1198 419 -141 -642 -392 267 551 980 1272 1665 2056 2288 1441 827 -36 27 -2 283 326 -122 -726 -699 -525 -296 107 740 918 74 -296 -1152 -2058 SS 20241127T131541.7Z 9097.552566 177 1 7.08 2 79.12 129.41 52.48 164.07 0.00 1 0.00 1 0 17 3.462e-01 2.145e-02 2.579e-01 1.262e-02 6.189912e-01 6.949106e-03 9.194904e-03 -6.000000e+00 2.078622e-01 223.37 -2.00 3.48 -2.00 320.77 0.00e+00 1.059963e-02 2.888439e-03 7.995844e-03 -6.000000e+00 9.315588e-03 280.35 -2.00 20.00 -2.00 320.25 0.00e+00 5.103 0.002 302.00 328.00 3 2.5598e+00 2.1686e-02 6.7919e-02 -6.0000e+00 5.1190e-01 3.1042e-01 2.7171e-02 5.0243e-02 -6.0000e+00 5.5498e-01 -4.2659e-01 2.4197e-02 2.7706e-02 -6.0000e+00 3.3091e-01 1.8314e-01 1.2044e-02 9.4608e-03 -6.0000e+00 1.4183e-01 1.2469e-04 -1.5226e-03 3.8055e-04 2.4590e-04 -6.0000e+00 1.0774e-02 -3.0412e-02 2.6743e-04 12 9 9 12 17 1 61.13 22.94 0.61 -0.03041 -0.04185 3 5 1 5 0 1769.050 25.79 20.00 22.94 16.10 5.6 932.93 2955 -94932 -145162 -107351 900000 -66671 -19509 -91290 -128613 -38750 -148595 -104496 -118651 -58327 12243 31146 1470 -51661 900000 -23023 -42202 -54700 34540 22592 -50901 62774 436 -13783 -41812 -34286 -52245 -14200 -31129 16136 3892 -7372 -8394 24631 40777 13324 55169 5308 40149 10739 10056 -193 12150 26116 16419 28950 3154 16970 12257 12978 15761 9116 4348 9551 5089 1916 16728 4803 6158 7442 12033 7400 4488 133 -1077 5757 3078 521 536 3617 -4880 -3667 -7101 -1788 -7491 -3758 2282 -3691 -2354 -2293 -753 -1560 -261 -1405 -230 141 -878 -1123 -5641 -1830 -1446 -1039 -345 451 676 -1203 -1832 -1501 -1268 -1652 -3132 -3544 -1122 359 1464 1081 1675 2288 227 762 -789 66 -1887 1288 1233 792 -30 2590 701 2257 1071 320 -146 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