File name: Pandora187s1_PittsburghPA_20220929_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20240123T205313.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20220929_L1_smca1c3d20220705p1-8.txt Full location name: Pittsburgh, PA - Lawrenceville ACHD (USEPA AQS ID 42-003-0008) Short location name: PittsburghPA Country of location: United States Location latitude [deg]: 40.4655 Location longitude [deg]: -79.9608 Location altitude [m]: 265 Local noon date: 20220929 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: 194 335 Nominal wavelengths inside fitting window [nm]: 305.0947 305.2360 305.3774 305.5187 305.6601 305.8014 305.9427 306.0840 306.2253 306.3666 306.5079 306.6491 306.7904 306.9316 307.0728 307.2141 307.3553 307.4965 307.6376 307.7788 307.9200 308.0611 308.2023 308.3434 308.4845 308.6256 308.7667 308.9078 309.0489 309.1899 309.3310 309.4720 309.6131 309.7541 309.8951 310.0361 310.1771 310.3181 310.4591 310.6000 310.7410 310.8819 311.0228 311.1637 311.3046 311.4455 311.5864 311.7273 311.8681 312.0090 312.1498 312.2907 312.4315 312.5723 312.7131 312.8539 312.9946 313.1354 313.2761 313.4169 313.5576 313.6983 313.8390 313.9797 314.1204 314.2611 314.4018 314.5424 314.6831 314.8237 314.9643 315.1049 315.2455 315.3861 315.5267 315.6673 315.8078 315.9484 316.0889 316.2294 316.3699 316.5104 316.6509 316.7914 316.9319 317.0723 317.2128 317.3532 317.4936 317.6340 317.7744 317.9148 318.0552 318.1956 318.3359 318.4763 318.6166 318.7569 318.8972 319.0375 319.1778 319.3181 319.4584 319.5986 319.7389 319.8791 320.0193 320.1596 320.2998 320.4400 320.5801 320.7203 320.8605 321.0006 321.1407 321.2809 321.4210 321.5611 321.7012 321.8412 321.9813 322.1214 322.2614 322.4014 322.5415 322.6815 322.8215 322.9615 323.1014 323.2414 323.3814 323.5213 323.6612 323.8012 323.9411 324.0810 324.2209 324.3607 324.5006 324.6405 324.7803 324.9201 --------------------------------------------------------------------------------------- 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 20220929T143221.0Z 8307.605799 143 1 28.06 2 56.09 130.10 98.27 108.93 0.00 1 0.00 1 0 17 1.117e-02 7.276e-03 9.252e-03 3.626e-03 2.336821e-01 1.850606e-03 2.873207e-03 -6.000000e+00 6.470287e-03 227.60 -2.00 3.49 -2.00 316.78 0.00e+00 1.422327e-04 2.371964e-04 6.370225e-05 -6.000000e+00 2.883858e-04 285.14 -2.00 20.00 -2.00 316.03 0.00e+00 1.787 0.000 302.00 328.00 3 4.7370e+00 4.8395e-03 2.1153e-02 -6.0000e+00 1.6054e-02 4.5723e-02 5.4342e-03 1.2125e-02 -6.0000e+00 1.7400e-02 -2.3756e-03 3.1901e-03 5.9638e-03 -6.0000e+00 1.0379e-02 -4.2726e-03 1.5330e-03 1.6795e-03 -6.0000e+00 4.4384e-03 6.1766e-04 -3.6756e-04 1.0676e-04 2.0908e-05 -6.0000e+00 3.1157e-04 -4.3982e-03 0.0000e+00 12 9 1 12 1 1 99.53 17.46 0.38 -0.00440 -0.00716 10 6 1 5 0 2534.190 20.87 15.00 17.46 21.54 21.9 944.74 1829 1977 -1940 -1901 -3746 -2088 -2401 -432 920 -2647 -4670 400 -937 -1546 -299 1516 419 1626 948 825 -238 -365 -693 539 1331 -31 25 683 508 843 839 309 -517 -1020 -3343 -2297 -2130 -1578 -310 -721 -1636 -584 -129 519 192 -493 -150 -568 -811 -137 655 406 601 1288 1314 1099 1246 701 554 6 1075 1465 2373 1256 286 -654 -684 240 476 304 97 435 121 812 -114 109 -1051 -582 -705 -1293 -1134 -1673 -2760 -1280 -766 -526 293 209 881 666 225 -439 -305 -305 -358 79 840 346 116 65 -412 -714 154 -93 -1202 -610 -724 182 708 535 123 534 272 -65 -319 -234 -295 -188 -55 -379 -744 297 210 340 131 -615 1188 1161 1237 877 308 585 433 530 -41 -391 25 -636 -308 -48 -405 -871 260 301 -308 -276 -496 -266 -329 -65 150 -462 -819 69 -185 -348 -75 402 116 460 280 251 -74 -113 -221 179 459 -11 9 221 154 256 270 107 -193 -380 -1192 -822 -849 -736 -157 -419 -1028 -376 -84 338 125 -320 -95 -349 -490 -83 421 278 433 962 1002 856 977 546 424 5 865 1178 2034 1127 248 -523 -555 194 391 281 96 439 120 761 -99 90 -811 -441 -580 -1119 -1089 -1753 -3075 -1386 -888 -646 373 271 1114 793 246 -471 -305 -308 -392 89 1041 467 160 85 -502 -811 184 -111 -1568 -829 -965 251 1029 823 195 825 396 -93 -423 -301 -390 -265 -78 -559 -1104 427 292 476 175 -784 1457 1489 1696 1274 437 838 641 825 -64 -631 41 -1068 -507 -82 -661 -1388 SS 20220929T143759.8Z 8307.609720 146 1 45.76 2 55.28 131.50 97.30 109.78 0.00 1 0.00 1 0 17 1.249e-02 7.294e-03 6.542e-03 2.639e-03 2.270743e-01 1.341805e-03 2.788452e-03 -6.000000e+00 7.237322e-03 227.60 -2.00 3.49 -2.00 316.76 0.00e+00 4.939222e-04 1.708969e-04 9.331346e-05 -6.000000e+00 3.225495e-04 285.14 -2.00 20.00 -2.00 316.00 0.00e+00 1.750 0.000 302.00 328.00 3 4.6986e+00 3.5112e-03 2.0657e-02 -6.0000e+00 1.7957e-02 4.2483e-02 3.9406e-03 1.1796e-02 -6.0000e+00 1.9462e-02 1.4285e-03 2.3070e-03 5.7819e-03 -6.0000e+00 1.1610e-02 -6.5123e-03 1.1055e-03 1.6797e-03 -6.0000e+00 4.9649e-03 6.7171e-04 -3.3047e-04 7.7389e-05 2.0420e-05 -6.0000e+00 3.4847e-04 -4.9429e-03 0.0000e+00 11 8 0 10 0 0 99.93 17.46 0.44 -0.00494 -0.00743 22 7 1 5 0 2079.440 20.87 15.00 17.46 21.87 21.8 946.30 834 -147 -1615 -4342 -5653 -2751 -656 175 838 -2272 -2461 940 -47 -1851 34 -267 -613 1252 406 2832 1818 231 -564 1867 333 342 -330 -1063 72 1271 907 1112 4557 -1971 -3534 -2926 -1766 -1816 -394 -725 -1555 -906 -391 -83 65 -946 83 -277 -812 21 962 197 786 586 1226 1269 1322 601 788 1030 933 1320 2387 1034 214 -921 -1026 -23 332 -64 239 335 272 537 107 45 -989 -936 -949 -729 -1348 -1551 -2162 -1455 -673 -552 377 582 684 659 465 -215 341 -552 -111 64 759 421 59 -147 -623 -1056 53 -189 -1090 -795 -818 34 793 442 100 393 631 -54 -56 -210 -206 -241 -232 -387 -408 106 -133 133 109 -186 1181 1239 1062 941 612 543 362 397 -48 -563 53 -272 -503 -216 -373 -704 124 -24 -265 -672 -793 -366 -91 27 141 -407 -434 167 -9 -431 9 -74 -176 366 124 868 566 73 -184 626 118 125 -119 -358 23 392 298 390 1649 -755 -1285 -1071 -713 -862 -200 -421 -974 -584 -256 -54 42 -616 52 -169 -489 12 614 135 561 438 929 978 1028 464 598 785 746 1136 2004 911 182 -788 -826 -19 290 -58 230 330 263 492 98 37 -753 -702 -772 -666 -1262 -1577 -2327 -1644 -811 -653 460 721 832 817 528 -223 328 -542 -117 75 975 543 78 -185 -788 -1248 62 -236 -1361 -1036 -1116 48 1174 694 150 619 931 -74 -76 -278 -282 -323 -334 -582 -615 155 -189 179 151 -244 1497 1642 1392 1302 877 791 544 628 -75 -913 88 -455 -832 -344 -619 -1140 SS 20220929T175028.4Z 8307.743385 270 1 45.67 2 44.06 194.58 69.55 144.15 0.00 1 0.00 1 0 17 9.615e-03 6.917e-03 5.314e-03 2.676e-03 1.815309e-01 1.366121e-03 2.253715e-03 -6.000000e+00 5.569939e-03 227.58 -2.00 3.49 -2.00 316.19 0.00e+00 2.791560e-04 1.515429e-04 3.903750e-05 -6.000000e+00 2.482019e-04 285.13 -2.00 20.00 -2.00 315.47 0.00e+00 1.390 0.000 302.00 328.00 3 4.9125e+00 3.5380e-03 1.6453e-02 -6.0000e+00 1.3820e-02 4.5751e-02 3.9492e-03 9.4405e-03 -6.0000e+00 1.4978e-02 -2.1364e-03 2.2828e-03 4.6449e-03 -6.0000e+00 8.9344e-03 -4.5842e-03 1.0711e-03 1.3215e-03 -6.0000e+00 3.8215e-03 8.3479e-04 -2.4530e-04 7.8710e-05 1.6942e-05 -6.0000e+00 2.6816e-04 -5.8724e-03 0.0000e+00 11 8 0 10 0 0 99.97 17.48 0.46 -0.00587 -0.00772 45 14 1 5 0 1014.710 20.87 15.00 17.48 23.15 21.9 955.97 -236 269 -1175 -2366 -3087 -1052 535 1432 671 -1707 -1709 -279 -54 -1590 927 -350 -83 364 612 1959 953 -110 633 1324 351 265 -544 -472 -683 1146 527 1314 2362 -1419 -3855 -1626 -2011 -1119 -638 -505 -1324 -613 -212 -411 262 -701 -303 -977 -670 473 703 -117 856 835 1157 1399 1246 468 645 869 1039 1776 1760 1152 -66 -822 -844 -156 277 419 245 347 292 677 38 205 -767 -935 -561 -1014 -1080 -1634 -2077 -1612 -634 -559 364 215 727 521 165 -403 12 -232 -309 66 655 495 12 -191 -743 -587 -39 -27 -1171 -627 -458 -185 875 431 342 492 473 -77 15 -265 -256 -213 -81 -487 -371 -29 -18 395 269 -191 813 1304 946 860 383 524 326 653 -102 -317 13 -501 -491 -72 -489 -779 -47 57 -249 -463 -594 -193 103 303 156 -418 -407 -67 -14 -480 303 -123 -30 133 230 746 368 -43 249 542 151 116 -235 -188 -254 413 200 523 984 -604 -1567 -653 -901 -583 -392 -320 -901 -427 -150 -291 183 -488 -203 -635 -464 327 464 -82 623 632 888 1087 977 365 494 670 836 1526 1616 1094 -60 -685 -657 -132 232 392 246 356 295 649 33 177 -611 -728 -469 -866 -1021 -1678 -2248 -1834 -768 -720 486 268 966 652 189 -420 11 -224 -321 75 819 669 16 -251 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