File name: Pandora55s1_QueensNY_20241024_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241025T044810.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241024_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20241024 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 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20241024T122405.3Z 9063.516728 281 1 50.36 2 79.00 116.58 23.20 227.89 0.00 1 0.00 1 0 25 3.997e-01 1.122e-02 7.906e-02 2.185e-03 6.278921e-01 1.175738e-03 7.203621e-03 -6.000000e+00 2.364845e-01 225.10 -2.00 3.51 -2.00 320.66 0.00e+00 3.719768e-03 4.949577e-04 8.766042e-04 -6.000000e+00 1.063648e-02 283.12 -2.00 20.00 -2.00 320.06 0.00e+00 5.054 0.002 302.00 328.00 3 1.5674e+00 3.7012e-03 6.0237e-02 -6.0000e+00 5.8396e-01 6.0823e-02 4.8032e-03 3.4454e-02 -6.0000e+00 6.3414e-01 -8.5196e-02 4.5420e-03 1.7044e-02 -6.0000e+00 3.7769e-01 2.7258e-02 2.2339e-03 7.0838e-03 -6.0000e+00 1.5956e-01 3.7790e-04 -1.1843e-03 6.4400e-05 7.3093e-05 -6.0000e+00 1.2104e-02 2.6908e-03 0.0000e+00 12 8 8 10 0 0 74.83 22.32 0.20 0.00269 -0.00621 104 20 1 5 0 484.080 26.11 19.97 22.32 22.93 37.7 1029.52 -169040 -168654 900000 -176800 -60452 -78486 -136610 900000 -43768 -76513 -134782 -106942 -120671 -27995 112025 -20589 -64164 -13531 57618 27301 -40525 -12396 -3401 -48089 -15637 -23417 120565 -17262 -8849 -43452 2841 -2337 -3437 -6994 5760 38778 -10491 -11328 10297 12385 -6575 6303 -7146 115 -2489 15323 -4922 12203 4537 9638 2598 1191 557 10178 8696 2883 5999 1581 5141 -1594 -347 5160 3590 68 2923 -190 3440 690 1280 2221 7 1427 1340 -1841 2048 -597 1925 2341 1410 -1735 -1512 1176 -1624 -1456 -2198 -1107 -2130 -1085 -1491 -739 -220 -9 704 1471 645 1046 -143 121 -701 -645 -356 -399 444 1257 8 -1210 -524 -1412 -75 515 271 -702 -197 -213 -299 610 1201 1198 427 -18 -1112 -574 100 630 -55 206 182 1377 1150 -152 472 310 598 213 384 -344 -86 134 -486 -754 -309 -124 -27 195 -2496 -2993 900000 -3831 -421 -626 -1952 900000 -326 -851 -2765 -1871 -2871 -356 473 -371 -2001 -294 705 475 -1374 -332 -86 -1947 -507 -872 1217 -629 -298 -2073 99 -101 -175 -406 308 1508 -666 -813 723 1015 -736 691 -943 15 -337 1809 -714 1558 645 1384 429 219 114 2065 1918 705 1485 413 1298 -421 -91 1349 1046 23 1038 -72 1249 255 493 933 3 721 698 -972 996 -276 804 933 586 -817 -818 703 -1102 -1056 -1696 -891 -1815 -954 -1343 -658 -190 -7 547 1108 505 893 -137 129 -823 -802 -443 -474 490 1311 8 -1350 -609 -1722 -95 695 395 -1098 -320 -347 -477 935 1783 1786 658 -29 -1843 -949 162 990 -85 309 267 1966 1685 -240 804 564 1133 419 783 -736 -190 301 -1105 -1723 -692 -268 -57 398 SS 20241024T123005.2Z 9063.520893 284 1 5.92 2 77.99 117.67 24.06 230.49 0.00 1 0.00 1 0 25 3.678e-01 2.286e-02 2.776e-01 1.311e-02 5.809050e-01 7.070996e-03 6.734153e-03 -6.000000e+00 2.200424e-01 225.10 -2.00 3.51 -2.00 320.45 0.00e+00 9.064146e-03 2.752007e-03 1.416370e-03 -6.000000e+00 1.034434e-02 283.12 -2.00 20.00 -2.00 319.84 0.00e+00 4.661 0.002 302.00 328.00 3 2.9641e+00 2.1670e-02 5.6698e-02 -6.0000e+00 5.4282e-01 1.3660e-01 2.7135e-02 3.6119e-02 -6.0000e+00 5.9064e-01 -1.8156e-01 2.4006e-02 1.6630e-02 -6.0000e+00 3.5113e-01 7.3282e-02 1.1983e-02 1.2183e-02 -6.0000e+00 1.4729e-01 1.3686e-04 -8.2837e-04 3.9477e-04 1.0257e-04 -6.0000e+00 1.1226e-02 2.8213e-03 0.0000e+00 12 9 9 12 33 1 999.00 22.31 0.34 0.00282 -0.00340 2 5 1 5 0 1957.180 26.11 20.00 22.31 23.09 37.6 1030.63 -86483 -153748 900000 -195486 -75043 900000 -126513 900000 -26538 -49828 -139700 -60473 -55295 99973 900000 42354 -26897 97027 900000 119308 -18833 -27177 43536 -53903 -32635 9866 900000 -14472 -36581 7437 -8200 27755 7884 14348 31175 51494 -12919 -1696 12149 42979 667 19717 -18846 -1193 -352 29512 -5609 23062 15023 33824 5018 500 2871 9183 13351 12454 3729 3352 7856 964 2602 18236 6340 -7483 2746 -5820 574 -2479 9870 5165 -1789 5701 6286 -3602 4826 -1003 5770 3380 -2544 -1245 -6012 3983 -4056 -1323 -3321 -2777 -6040 -1654 -1813 -1331 -727 -1112 1330 727 356 -15 -1300 127 -753 -825 -434 1296 940 1992 1532 -2118 -1409 -1393 678 3958 1108 -2415 -177 826 643 -1087 2375 -2183 180 -138 -2050 -924 1743 1502 618 -348 -731 1894 -724 698 622 2316 1670 484 779 -953 -43 31 13 -963 -518 -1141 305 -421 -1193 -4804 900000 -10014 -1178 900000 -3053 900000 -339 -717 -4889 -1091 -1134 1277 900000 674 -944 1239 900000 1524 -803 -1266 1047 -3332 -1730 366 900000 -684 -2130 299 -428 1218 484 909 1727 2311 -1081 -142 1054 3283 85 2308 -3335 -188 -57 3703 -995 3227 2340 4642 958 109 669 2170 3227 3151 1049 955 2128 274 736 4736 2021 -2986 1084 -2550 234 -1025 3792 2267 -921 2953 3320 -2032 2409 -491 2450 1404 -1143 -611 -3516 2420 -2897 -989 -2652 -2321 -5439 -1497 -1678 -1221 -646 -944 1047 560 282 -13 -1266 137 -890 -1028 -541 1524 1034 2071 1607 -2389 -1656 -1704 860 5221 1603 -3807 -284 1320 1001 -1651 3428 -3263 273 -218 -3365 -1512 2749 2313 938 -517 -1063 2644 -1055 1075 1035 4045 3055 920 1535 -1974 -92 68 29 -2129 -1120 -2405 613 -835 SS 20241024T131946.3Z 9063.555397 319 1 49.42 2 70.06 127.25 32.06 247.16 0.00 1 0.00 1 0 25 1.391e-01 1.712e-02 2.778e-02 3.577e-03 3.588809e-01 1.844904e-03 4.297328e-03 -6.000000e+00 8.170890e-02 225.10 -2.00 3.51 -2.00 318.57 0.00e+00 -5.844941e-04 3.905987e-04 1.194277e-04 -6.000000e+00 3.700120e-03 283.12 -2.00 20.00 -2.00 317.84 0.00e+00 2.901 0.000 302.00 328.00 3 4.8188e+00 4.9941e-03 3.4189e-02 -6.0000e+00 2.0155e-01 2.6395e-02 5.7284e-03 1.8469e-02 -6.0000e+00 2.1873e-01 -1.1292e-02 3.8711e-03 9.1495e-03 -6.0000e+00 1.3082e-01 2.7672e-03 2.0025e-03 2.6367e-03 -6.0000e+00 5.5527e-02 1.5443e-04 -5.4105e-04 1.1135e-04 3.2481e-05 -6.0000e+00 4.1487e-03 8.4857e-04 0.0000e+00 12 9 9 12 33 1 99.97 22.31 0.33 0.00085 -0.00322 15 3 1 5 0 3088.050 26.11 20.01 22.31 22.31 37.7 1026.50 25879 6188 900000 -60229 4905 44003 -24050 90172 -2369 -23861 -22417 -24183 -25994 -8502 41113 -2057 -19464 17603 34267 34316 -7121 8810 4652 -19059 -4533 -5668 46421 -2025 -2478 -8151 -1176 4520 -2954 -5096 865 22637 -4811 -9905 5845 5819 -3722 5522 -5797 -723 -1584 8957 -7285 8231 3370 5687 -678 -1067 -3747 -973 6470 910 6804 1553 1103 -1050 -1276 4782 1628 -2793 1984 1965 746 -1842 4 2537 -795 783 1735 -1906 184 53 604 4062 1 -3371 -2994 1381 -1141 -1479 -2044 -871 -2591 -667 -1234 -117 -503 -993 185 1671 440 1033 -1062 603 -1026 -216 -499 -934 -226 2003 1254 -574 -280 -1044 808 1751 856 -1396 662 -182 -1001 15 878 1939 406 -9 -1915 -493 1120 -216 -39 153 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