File name: Pandora32s1_GreenbeltMD_20231027_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231030T232836.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20231027_L1_smca1c12d20221109p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20231027 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: Based on session 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0059 305.1469 305.2878 305.4288 305.5697 305.7106 305.8515 305.9924 306.1333 306.2742 306.4150 306.5559 306.6967 306.8375 306.9783 307.1191 307.2599 307.4007 307.5415 307.6822 307.8230 307.9637 308.1044 308.2451 308.3858 308.5265 308.6672 308.8079 308.9485 309.0892 309.2298 309.3704 309.5110 309.6516 309.7922 309.9328 310.0733 310.2139 310.3544 310.4950 310.6355 310.7760 310.9165 311.0570 311.1974 311.3379 311.4784 311.6188 311.7592 311.8996 312.0400 312.1804 312.3208 312.4612 312.6015 312.7419 312.8822 313.0226 313.1629 313.3032 313.4435 313.5837 313.7240 313.8643 314.0045 314.1447 314.2849 314.4252 314.5654 314.7055 314.8457 314.9859 315.1260 315.2662 315.4063 315.5464 315.6865 315.8266 315.9667 316.1068 316.2468 316.3869 316.5269 316.6669 316.8070 316.9470 317.0869 317.2269 317.3669 317.5069 317.6468 317.7867 317.9266 318.0666 318.2065 318.3463 318.4862 318.6261 318.7659 318.9058 319.0456 319.1854 319.3252 319.4650 319.6048 319.7446 319.8843 320.0241 320.1638 320.3035 320.4432 320.5829 320.7226 320.8623 321.0020 321.1416 321.2813 321.4209 321.5605 321.7001 321.8397 321.9793 322.1189 322.2584 322.3980 322.5375 322.6770 322.8165 322.9560 323.0955 323.2350 323.3745 323.5139 323.6534 323.7928 323.9322 324.0716 324.2110 324.3504 324.4898 324.6291 324.7685 324.9078 --------------------------------------------------------------------------------------- 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 20231027T121102.8Z 8700.507671 231 1 47.99 2 83.15 112.59 114.59 299.21 0.00 1 0.00 1 0 17 3.185e-01 2.381e-02 1.695e-01 9.350e-03 7.051415e-01 4.951097e-03 8.652338e-03 -6.000000e+00 1.801570e-01 225.19 -2.00 3.47 -2.00 321.66 0.00e+00 1.065533e-02 2.397504e-03 4.904817e-03 -6.000000e+00 8.049292e-03 283.80 -2.00 20.00 -2.00 321.11 0.00e+00 7.668 0.008 302.00 328.00 3 1.3003e+00 1.7406e-02 8.5686e-02 -6.0000e+00 4.4493e-01 7.9459e-01 2.1465e-02 4.0522e-02 -6.0000e+00 4.8330e-01 -1.1285e+00 1.6421e-02 2.2344e-02 -6.0000e+00 2.8874e-01 4.6437e-01 8.1481e-03 8.9526e-03 -6.0000e+00 1.2401e-01 3.8832e-05 -2.0599e-03 2.5994e-04 1.8159e-04 -6.0000e+00 8.4769e-03 7.4871e-03 -5.1963e-05 12 8 8 10 0 0 74.69 21.83 1.17 0.00749 -0.00799 33 8 1 5 0 1453.930 26.32 19.99 21.83 22.11 3.6 979.51 95939 -63393 45299 -79808 -65823 -119855 -32736 -70862 -61255 -20143 -109656 -68910 -43709 -51304 8958 10460 23549 -14030 4023 70342 -24835 3783 2246 -14001 -26965 -19651 96509 -50079 49955 -55968 83035 -23816 69415 23127 -2268 32552 -36405 22637 -1777 43353 43292 17057 24674 50227 20464 18194 28428 76217 12488 19348 17731 42254 31279 37850 30814 24198 38431 11172 15025 17366 -2252 10376 7585 17215 6856 10618 11765 9509 11019 12476 8494 3456 4703 11044 1563 4475 -8772 -200 -5835 -2724 344 -1198 -374 -2070 513 -1449 -1614 -2240 -2602 2480 -2054 -3880 -3168 -5823 -3427 -4594 -2421 1022 -1950 -2002 -2320 -1523 -4344 -365 -5220 -3006 -1211 -2824 1102 -558 -351 21 495 -344 247 -649 -1122 -982 1739 396 1543 428 4006 2382 2049 1210 1215 1566 -808 877 427 0 578 -326 1615 -163 279 -1457 431 -86 -670 -37 -2054 875 -2995 751 -4366 -2673 -7153 -760 -2408 -1929 -459 -5363 -2285 -1475 -2169 286 391 859 -721 198 1796 -1608 172 98 -715 -1574 -1057 1584 -3379 1184 -3929 1666 -1672 2215 1265 -153 1425 -3187 1218 -143 2569 2842 1540 2137 3435 1885 1725 2462 4170 1332 2011 2021 4161 3736 4521 4130 3530 4906 1844 2288 2486 -394 1722 1466 3438 1650 2459 2607 2168 2652 3379 2672 1204 1612 3363 478 1183 -2415 -50 -1692 -911 133 -495 -171 -1028 263 -809 -954 -1385 -1628 1441 -1178 -2116 -1633 -3118 -1988 -3157 -1917 910 -2014 -2155 -2404 -1417 -3734 -293 -4673 -2831 -1185 -3015 1242 -726 -515 30 743 -512 350 -971 -1679 -1406 2585 630 2445 665 6286 3696 3094 1785 1730 2265 -1343 1517 831 -1 1286 -778 4063 -411 720 -3887 1135 -222 -1636 -91 -4885 SS 20231027T122157.3Z 8700.515246 234 1 48.55 2 81.21 114.42 116.31 301.38 0.00 1 0.00 1 0 25 4.052e-01 1.183e-02 5.953e-02 2.857e-03 6.103475e-01 1.499715e-03 7.129430e-03 -6.000000e+00 2.292395e-01 225.19 -2.00 3.47 -2.00 321.03 0.00e+00 5.668480e-03 6.800271e-04 2.366446e-03 -6.000000e+00 1.024174e-02 283.80 -2.00 20.00 -2.00 320.44 0.00e+00 6.186 0.004 302.00 328.00 3 1.0237e+00 4.9585e-03 6.8941e-02 -6.0000e+00 5.6615e-01 1.6651e-01 6.4732e-03 3.3209e-02 -6.0000e+00 6.1495e-01 -2.9178e-01 5.9684e-03 1.8896e-02 -6.0000e+00 3.6739e-01 1.2001e-01 2.9015e-03 7.3715e-03 -6.0000e+00 1.5780e-01 2.4736e-04 -9.2200e-04 8.0212e-05 1.0133e-04 -6.0000e+00 1.0785e-02 6.8120e-03 -5.3933e-05 12 8 8 10 0 0 52.71 21.83 0.63 0.00681 -0.00012 119 28 1 5 0 407.910 26.32 20.00 21.83 23.05 3.6 985.95 -142756 -128287 -126442 -109394 -131431 -158090 -119423 -140367 -97077 -126134 -109578 -133637 -87157 -75686 -35847 -37649 -45634 -15669 -37282 -7519 -25469 -21020 4091 -30090 -7179 -24313 -2844 -26439 -19167 -32099 -25681 -11149 41 -2395 -4084 -7140 -3341 -1441 7202 7061 7170 11035 -966 14291 9144 9218 8280 11438 5234 2585 7296 7416 9556 11389 7601 7018 3963 1835 4696 4235 5703 2940 6064 6686 3739 3677 3209 1951 1748 5679 1436 1709 1174 458 580 -801 -1839 -4190 -2065 -2276 -1465 -1424 -2719 -2276 -99 -824 -332 -608 -84 809 1006 -83 -1052 -1420 -1649 -653 -870 245 -141 -499 -467 -1528 -1353 -984 -1501 -1626 -966 -707 -521 411 140 813 280 412 348 -170 -231 -10 129 317 -135 787 1015 655 490 725 185 1014 670 169 321 96 -201 -16 164 -15 -260 47 81 -36 -162 -503 -630 -2466 -2323 -2466 -1798 -2453 -3567 -1863 -2972 -1487 -2776 -2106 -3500 -1748 -1750 -709 -923 -1386 -389 -1246 -197 -823 -644 98 -1073 -218 -921 -89 -1024 -673 -1332 -1152 -522 2 -133 -226 -390 -184 -90 504 594 687 1104 -105 1517 1039 1071 994 1367 628 336 989 1123 1561 1982 1461 1411 847 402 978 867 1171 674 1530 1902 1184 1158 981 608 589 2119 628 791 550 207 242 -305 -647 -1486 -779 -1014 -765 -784 -1686 -1501 -68 -612 -260 -498 -69 644 754 -58 -709 -962 -1230 -557 -864 255 -164 -601 -537 -1609 -1398 -996 -1509 -1755 -1093 -852 -681 596 211 1304 458 655 525 -244 -330 -15 204 530 -229 1288 1597 1004 726 1115 274 1514 1035 298 583 187 -411 -35 355 -34 -622 113 199 -87 -367 -1149 -1381 SS 20231027T123457.4Z 8700.524276 239 1 48.66 2 78.94 116.66 118.30 304.06 0.00 1 0.00 1 0 25 2.095e-01 6.804e-03 2.511e-02 1.294e-03 5.171717e-01 6.613782e-04 5.961674e-03 -6.000000e+00 1.185193e-01 225.19 -2.00 3.47 -2.00 320.24 0.00e+00 2.161570e-03 2.361641e-04 8.489616e-04 -6.000000e+00 5.294777e-03 283.80 -2.00 20.00 -2.00 319.59 0.00e+00 5.025 0.002 302.00 328.00 3 9.0598e-01 1.9839e-03 5.6091e-02 -6.0000e+00 2.9271e-01 1.0330e-02 2.4557e-03 2.6896e-02 -6.0000e+00 3.1793e-01 -5.8589e-02 2.1662e-03 1.3912e-02 -6.0000e+00 1.8994e-01 1.9147e-02 1.1059e-03 4.5303e-03 -6.0000e+00 8.1591e-02 9.2048e-04 -6.8548e-04 3.6541e-05 5.1604e-05 -6.0000e+00 5.5754e-03 6.3260e-03 -4.7134e-05 11 8 0 10 0 0 44.11 21.86 0.47 0.00633 0.00117 244 57 1 5 0 199.380 26.32 20.00 21.86 24.16 3.6 991.57 -80420 -81923 -56952 -67324 -56405 -87408 -62631 -66416 -66687 -58581 -68814 -47062 -39298 -24738 -24409 -16774 -12935 -11753 -2622 -6635 -4484 -13334 -10819 -12202 -7056 -2556 -6952 -12201 -12919 -13540 -3267 -3579 2905 -1622 -4395 -3090 -7239 -508 -1726 3459 1548 348 87 749 4168 1680 2219 2318 1370 518 2072 3488 2361 3652 2125 1551 1904 281 1998 825 1285 2066 2304 3292 1792 1496 924 -75 516 921 957 470 514 31 -458 -1102 -1869 -1437 -2507 -1189 -1396 -1518 -1989 -1823 -581 -620 275 166 336 710 575 660 -268 -299 -202 -138 167 498 164 -213 -527 -938 -948 -85 -830 -1067 -863 -638 -37 415 612 523 366 364 83 264 -5 188 -36 -60 -287 65 463 375 500 170 -44 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