File name: Pandora55s1_QueensNY_20240224_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T132102.5Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240224_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: 20240224 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 20240224T132700.4Z 8820.560421 294 1 50.54 2 71.55 121.16 106.04 301.90 0.00 1 0.00 1 0 25 7.379e-02 6.261e-03 9.353e-03 6.317e-04 5.293252e-01 3.279357e-04 6.225608e-03 -6.000000e+00 4.334742e-02 225.32 -2.00 3.51 -2.00 319.24 0.00e+00 1.086732e-03 8.471771e-05 4.521326e-04 -6.000000e+00 1.883338e-03 275.89 -2.00 20.00 -2.00 318.68 0.00e+00 3.119 0.001 302.00 328.00 3 1.2746e+00 9.0684e-04 4.1387e-02 -6.0000e+00 1.0724e-01 4.0727e-02 1.0559e-03 2.7360e-02 -6.0000e+00 1.1655e-01 -2.5042e-02 8.4289e-04 1.3630e-02 -6.0000e+00 6.9343e-02 1.8231e-03 4.4527e-04 4.1262e-03 -6.0000e+00 2.9082e-02 3.3891e-03 -6.9294e-04 1.8536e-05 4.9118e-05 -6.0000e+00 2.2003e-03 6.4418e-03 0.0000e+00 10 0 0 10 0 0 98.85 22.58 0.20 0.00644 0.00123 345 65 1 5 0 146.460 25.90 20.00 22.58 11.03 35.5 1064.49 -33871 -35331 -4519 -36265 -17939 -23340 -24723 -10268 -17674 -18359 -24408 -16825 -16623 -11220 188 -3788 -6249 -2997 2459 434 -234 -1131 445 -3718 -2014 -3241 163 -4678 -2313 -3859 -829 646 -354 -1876 -1612 1878 -1227 -880 215 -256 -1592 -644 -1598 -1015 -638 338 -449 92 299 883 1225 1100 1102 1594 1315 849 1014 258 526 701 1209 1713 1498 202 -232 556 664 698 1380 1039 136 -224 -544 -607 -646 -276 448 785 1090 84 -139 -480 -1439 -1402 -1265 -1168 -904 -588 -489 -498 7 537 727 1592 1476 1195 891 736 -401 -520 -422 -516 93 715 -290 -977 -618 -858 -173 -41 -102 -368 -142 23 70 728 970 828 467 -304 -733 -521 -212 -273 35 7 463 1447 937 371 430 2 331 140 168 -347 -182 136 -490 -445 -240 -76 -21 215 -615 -770 -79 -871 -340 -447 -499 -201 -425 -487 -731 -507 -585 -461 8 -193 -371 -189 158 30 -17 -85 34 -312 -181 -315 16 -469 -221 -379 -86 76 -45 -263 -229 253 -177 -144 42 -56 -407 -179 -476 -311 -198 105 -142 29 97 297 409 404 445 693 573 390 481 125 252 329 564 836 805 115 -143 346 400 412 839 702 98 -166 -417 -457 -485 -189 292 481 676 58 -105 -396 -1274 -1342 -1223 -1201 -940 -638 -541 -545 7 547 721 1500 1426 1210 980 880 -519 -687 -554 -662 112 846 -352 -1209 -773 -1133 -232 -60 -156 -584 -226 37 108 1099 1396 1191 701 -467 -1176 -836 -331 -427 52 11 662 2065 1321 552 680 4 577 246 311 -660 -351 270 -988 -896 -470 -147 -37 392 SS 20240224T133247.1Z 8820.564435 297 1 50.49 2 70.61 122.30 106.95 302.96 0.00 1 0.00 1 0 25 7.109e-02 6.319e-03 1.322e-02 8.881e-04 5.034723e-01 4.601121e-04 5.912408e-03 -6.000000e+00 4.175856e-02 225.32 -2.00 3.51 -2.00 319.26 0.00e+00 9.006034e-04 1.194702e-04 3.914602e-04 -6.000000e+00 1.814280e-03 275.89 -2.00 20.00 -2.00 318.70 0.00e+00 2.978 0.000 302.00 328.00 3 2.0272e+00 1.2720e-03 3.9432e-02 -6.0000e+00 1.0331e-01 3.3787e-02 1.4834e-03 2.5971e-02 -6.0000e+00 1.1227e-01 -1.1330e-02 1.1810e-03 1.2964e-02 -6.0000e+00 6.6801e-02 -4.0043e-03 6.2301e-04 3.8896e-03 -6.0000e+00 2.8016e-02 1.8840e-03 -5.8979e-04 2.6270e-05 4.6303e-05 -6.0000e+00 2.1196e-03 6.3186e-03 0.0000e+00 10 0 0 10 0 0 99.83 22.58 0.15 0.00632 0.00189 280 53 1 5 0 180.300 25.90 20.00 22.58 11.51 35.5 1067.27 -20727 -35929 28024 -41386 -1552 -26077 -7856 -7000 -9269 -16500 -23231 -14965 -18386 -9039 340 -251 -8670 -6135 368 3638 -196 1489 629 -5027 -647 -4982 4820 -4745 -276 -6888 1326 -40 1119 -3106 -902 2199 -1243 -786 578 712 -2477 -613 -2558 -1055 -1449 795 -800 650 32 1112 1522 778 938 1378 1933 627 1402 55 887 344 1074 1968 1326 7 -408 443 581 890 1218 1247 144 -249 -471 -813 -433 -419 903 824 1609 -17 152 -467 -1316 -1203 -1306 -1164 -1043 -532 -706 -384 -107 545 576 1578 1420 1189 967 697 -363 -542 -438 -632 160 663 -94 -1127 -381 -751 -200 63 -130 -291 -196 23 25 739 887 980 381 -308 -805 -404 -145 -261 145 -87 443 1202 1022 149 439 45 322 99 196 -355 -249 129 -412 -414 -189 -56 -61 210 -369 -850 401 -1112 -28 -560 -149 -146 -222 -458 -724 -466 -678 -368 15 -13 -548 -411 25 252 -15 111 48 -432 -57 -490 446 -472 -26 -689 132 -5 143 -446 -129 300 -181 -128 110 159 -640 -169 -753 -316 -441 240 -246 200 10 357 513 285 370 577 850 289 664 26 424 163 505 957 697 4 -249 272 347 520 730 810 103 -188 -365 -623 -318 -290 573 500 983 -11 112 -382 -1168 -1125 -1275 -1187 -1106 -580 -783 -423 -115 555 558 1474 1347 1201 1065 835 -470 -730 -586 -815 193 770 -111 -1390 -487 -992 -273 90 -197 -462 -319 36 39 1110 1294 1429 571 -479 -1289 -648 -229 -404 219 -128 635 1679 1450 224 699 75 554 174 356 -671 -484 255 -822 -827 -371 -107 -114 382 SS 20240224T134930.3Z 8820.576045 307 1 1.23 2 67.98 125.70 109.52 306.12 0.00 1 0.00 1 0 25 7.748e-02 9.822e-03 6.934e-02 8.717e-03 4.420443e-01 4.491766e-03 5.275957e-03 -6.000000e+00 4.552037e-02 225.32 -2.00 3.51 -2.00 318.44 0.00e+00 2.958498e-04 9.011726e-04 3.182117e-04 -6.000000e+00 1.977397e-03 275.89 -2.00 20.00 -2.00 317.85 0.00e+00 2.645 0.000 302.00 328.00 3 2.7105e+00 1.2086e-02 3.4785e-02 -6.0000e+00 1.1261e-01 3.0279e-02 1.3750e-02 2.2629e-02 -6.0000e+00 1.2238e-01 -2.0249e-02 9.4979e-03 1.1234e-02 -6.0000e+00 7.2815e-02 3.5247e-03 4.9747e-03 3.2374e-03 -6.0000e+00 3.0545e-02 1.4233e-03 -2.8257e-04 2.6094e-04 3.9772e-05 -6.0000e+00 2.3099e-03 4.9809e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.59 0.23 0.00498 0.00286 1 16 1 5 0 608.290 25.90 20.00 22.59 11.56 35.3 1066.31 15109 -40880 -3287 -23745 -23231 21696 -42584 25611 -10643 19212 -23004 -2389 8575 -7837 16945 3610 8912 -8955 7056 534 8042 -6368 4568 -8627 825 3855 -360 -4516 752 5585 -4999 5234 -4010 2603 -5662 8156 4543 -382 -1249 -601 -3159 -1247 -1516 -1166 -826 75 -1129 -849 -255 2346 2422 3677 -2305 1262 -433 2641 393 1231 -465 2828 1649 3004 1833 -585 -731 441 1868 12 2059 279 15 -358 -658 -1952 296 -1171 -247 2603 -330 -296 -1684 -615 -2196 40 -1234 -74 -883 -133 -1227 181 -316 1073 656 488 405 928 1647 76 -72 -1518 -1209 505 -128 1075 -878 517 -995 -878 718 408 -485 63 228 -330 33 810 1057 1379 245 -1492 -1187 -430 -42 -544 345 276 -163 993 593 763 1147 550 208 463 210 -647 304 -286 41 -452 -345 -144 -165 -309 424 -2198 -133 -1154 -1065 626 -2297 820 -535 792 -1463 -133 488 -609 1244 342 886 -1118 808 68 986 -902 598 -1337 126 606 -60 -765 118 836 -866 918 -844 553 -1302 1634 966 -94 -360 -199 -1187 -494 -624 -491 -349 32 -482 -363 -109 1007 1078 1722 -1203 675 -245 1508 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