File name: Pandora206s1_BuffaloNY_20231015_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T063429.2Z 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_20231015_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: 20231015 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 20231015T151311.4Z 8688.634160 138 1 24.01 2 57.12 147.75 65.85 140.39 0.00 1 0.00 1 0 17 1.484e-01 2.645e-02 1.163e-01 1.982e-02 2.410165e-01 9.737014e-03 3.079854e-03 -6.000000e+00 8.245827e-02 225.54 -2.00 3.55 -2.00 317.89 0.00e+00 1.505785e-03 1.660185e-03 7.670823e-04 -6.000000e+00 3.654334e-03 281.68 -2.00 20.00 -2.00 317.17 0.00e+00 1.836 0.000 302.00 328.00 3 8.1934e+00 2.5957e-02 2.2146e-02 -6.0000e+00 2.0400e-01 2.8740e-02 2.9429e-02 1.3775e-02 -6.0000e+00 2.2215e-01 8.7427e-02 1.8865e-02 6.2134e-03 -6.0000e+00 1.3246e-01 -4.8686e-02 9.7436e-03 2.4010e-03 -6.0000e+00 5.6640e-02 1.7555e-05 -6.9326e-04 5.5645e-04 2.3370e-05 -6.0000e+00 3.7789e-03 -2.1899e-02 9.5414e-05 12 8 8 10 0 0 -12.09 18.06 1.64 -0.02190 -0.02711 6 6 2 8 0 4000.000 15.00 18.06 16.86 21.58 21.48 18.9 939.98 1484 78363 19158 15275 -6566 107861 -8725 32685 -7728 30499 64246 -4296 -18882 26475 -8799 1600 30090 -9099 7472 -8726 18613 -8002 18068 -1558 7318 6823 12701 -15 -2949 20811 5535 999 729 13506 -9499 -4148 2444 3548 3087 -2298 -7890 -2577 7857 -5659 2592 -2752 -1549 -14719 3709 -7938 1648 1421 1269 -427 1697 -3586 -5735 6215 -2957 -935 -4639 6408 -485 5950 -799 5598 -3488 -1561 -1559 -1386 2149 756 589 898 5533 929 2318 -2158 -11698 -4660 804 929 -2013 -406 -851 4672 3112 276 642 4011 -847 3157 -2231 378 -880 -2676 970 7527 968 478 726 -427 -1069 -3137 3406 -2693 89 -1964 -296 -709 -350 -608 -2358 -783 -1459 1392 -802 837 -2189 1733 -2038 -2806 1124 8 2171 2584 -2321 2094 1448 -1674 3081 261 1291 -1990 237 -629 1890 129 155 207 161 -1173 -223 111 3131 1398 1105 -516 2732 -702 2001 -771 2299 3512 -439 -2532 2695 -1421 261 3865 -1799 1309 -1872 3122 -1726 3053 -340 1529 1493 2750 -3 -650 3554 1177 239 191 3272 -2675 -1061 642 1063 1118 -1007 -4020 -1297 3694 -3091 1300 -1464 -801 -8444 1790 -4276 851 791 745 -261 1049 -2366 -3948 3913 -1995 -613 -3252 4327 -370 4567 -658 4076 -2567 -1088 -1138 -1155 1904 687 555 813 4460 702 1552 -1467 -8759 -3679 674 861 -2054 -423 -955 5338 3678 347 810 4712 -992 3237 -2194 346 -858 -2933 1137 9206 1303 654 927 -508 -1192 -3679 4111 -3636 121 -2877 -431 -1104 -573 -1011 -3825 -1198 -2049 1769 -1038 1111 -3216 2626 -3283 -4487 1691 12 2911 3407 -3033 2612 1949 -2396 4425 396 1964 -3232 401 -1131 3389 241 293 379 284 -2031 -373 SS 20231015T152523.2Z 8688.642630 143 1 2.03 2 55.98 151.10 64.54 143.25 0.00 1 0.00 1 0 25 1.115e-02 6.331e-03 8.686e-03 3.710e-03 2.389451e-01 1.829316e-03 2.938367e-03 -6.000000e+00 6.191663e-03 225.54 -2.00 3.55 -2.00 316.61 0.00e+00 2.938056e-04 2.227613e-04 4.158613e-05 -6.000000e+00 2.745417e-04 281.67 -2.00 20.00 -2.00 315.92 0.00e+00 1.782 0.000 302.00 328.00 3 3.5702e+00 4.7601e-03 2.1316e-02 -6.0000e+00 1.5318e-02 1.3939e-02 5.3488e-03 1.2300e-02 -6.0000e+00 1.6684e-02 -6.1656e-03 3.1330e-03 6.0840e-03 -6.0000e+00 9.9480e-03 1.3192e-03 1.5029e-03 1.7277e-03 -6.0000e+00 4.2503e-03 1.9776e-03 -6.1404e-04 1.0140e-04 1.9265e-05 -6.0000e+00 2.8393e-04 -1.4640e-02 2.0634e-04 12 1 1 12 1 1 46.53 18.06 0.33 -0.01464 -0.01925 4 67 2 8 0 404.830 15.00 18.06 17.22 21.58 21.48 18.9 942.48 -2452 1119 -764 -450 -5670 -2977 -3890 -1430 -1789 -816 -2013 -1573 169 -1526 1767 -1976 1163 417 866 897 707 1345 216 736 439 696 1102 -698 -179 920 944 623 1018 934 -2709 2013 -3048 -1213 1064 113 -319 -1192 -239 -1081 -1525 -828 636 -769 106 -952 708 -51 1303 793 393 1164 762 677 324 684 142 1371 1344 1580 72 313 -549 -487 47 181 1040 -140 357 27 989 25 -489 -1020 -678 -1283 -732 -745 -2110 -1844 -867 -115 -356 123 1 574 -66 1152 102 338 21 -382 396 889 246 -120 209 -1042 -494 111 -413 -977 -597 -663 -339 210 528 7 64 16 -293 -45 203 366 66 357 -471 76 220 299 1016 590 159 908 590 371 208 54 -286 14 461 134 -125 -54 -66 -198 -543 -494 -414 -398 192 -138 -76 -876 -423 -589 -235 -331 -159 -388 -302 36 -347 442 -570 336 125 269 288 233 431 71 256 160 263 419 -253 -59 292 318 224 397 381 -1052 715 -1249 -562 541 65 -200 -782 -160 -738 -1037 -560 415 -493 66 -592 457 -35 944 574 294 878 589 522 245 510 110 1122 1194 1418 65 273 -448 -383 39 161 1008 -143 364 27 901 22 -385 -806 -554 -1124 -676 -762 -2211 -2004 -1003 -134 -441 157 1 705 -75 1243 107 338 23 -426 461 1149 324 -155 264 -1232 -572 132 -517 -1294 -784 -913 -487 305 807 10 95 23 -389 -58 263 493 91 504 -688 109 322 418 1398 779 199 1130 791 505 298 80 -429 21 724 212 -203 -90 -111 -323 -859 -788 -643 SS 20231015T154524.4Z 8688.656533 154 1 14.66 2 54.38 156.81 62.59 148.11 0.00 1 0.00 1 0 17 9.139e-03 5.627e-03 1.583e-03 7.022e-04 2.274703e-01 3.448617e-04 2.792364e-03 -6.000000e+00 5.078468e-03 225.54 -2.00 3.55 -2.00 316.54 0.00e+00 3.579981e-04 4.122331e-05 3.977460e-05 -6.000000e+00 2.250696e-04 281.67 -2.00 20.00 -2.00 315.85 0.00e+00 1.712 0.000 302.00 328.00 3 2.4987e+00 8.9678e-04 2.0410e-02 -6.0000e+00 1.2564e-02 -4.5508e-03 1.0084e-03 1.1699e-02 -6.0000e+00 1.3682e-02 -3.4092e-03 5.8905e-04 5.7844e-03 -6.0000e+00 8.1582e-03 -2.7567e-04 2.8071e-04 1.6536e-03 -6.0000e+00 3.4880e-03 6.3492e-03 -4.0046e-05 1.9104e-05 1.8260e-05 -6.0000e+00 2.3274e-04 -2.0269e-02 1.4051e-04 12 1 1 12 1 1 99.10 18.06 0.29 -0.02027 -0.02057 125 124 1 8 0 114.450 15.00 18.06 18.04 21.58 21.48 18.9 946.57 -2456 -1238 -727 -2259 -4150 -2460 -1888 -485 -370 -416 -2043 -2307 -1274 -841 332 -485 262 422 942 978 1209 426 931 761 332 718 263 -202 -877 623 1199 1207 1750 204 -1889 -1833 -1521 -1135 -292 -36 -751 -672 -488 -633 -237 -264 -324 -409 -713 -2 827 664 1009 1093 668 1031 971 661 591 498 905 1050 1316 1618 198 -91 -377 -660 200 322 207 201 29 300 186 -116 -96 -701 -150 -703 -1035 -1027 -1985 -1691 -1166 -784 -425 -160 232 98 316 351 149 441 512 195 404 667 236 -192 -187 -643 -593 77 -513 -790 -585 -576 -325 148 327 159 123 46 -3 203 183 434 235 139 -248 47 289 260 653 476 620 1115 587 338 287 134 -174 52 -19 -137 -83 83 -153 -260 -233 -512 -594 -426 -233 -140 -414 -670 -369 -298 -84 -72 -86 -416 -471 -288 -195 87 -141 78 129 298 319 402 140 309 269 123 275 102 -74 -294 200 406 435 679 84 -727 -677 -615 -527 -148 -21 -494 -458 -316 -415 -153 -185 -223 -272 -464 -1 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