File name: Pandora177s1_WestportCT_20230522_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T022557.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20230522_L1_smca1c7d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20230522 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 359 Nominal wavelengths inside fitting window [nm]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20230522T193935.1Z 8542.819157 6 1 49.08 2 41.31 253.10 13.59 188.96 0.00 1 0.00 1 0 17 1.393e-02 9.922e-03 1.877e-03 8.623e-04 2.029893e-01 4.618550e-04 2.461990e-03 -6.000000e+00 8.483567e-03 231.54 -2.00 3.51 -2.00 316.40 0.00e+00 7.691199e-04 5.252902e-05 1.692923e-04 -6.000000e+00 3.683319e-04 284.24 -2.00 20.00 -2.00 315.70 0.00e+00 1.330 0.000 302.00 328.00 3 3.7522e+00 1.2077e-03 1.7138e-02 -6.0000e+00 2.1258e-02 2.9094e-02 1.3359e-03 1.0585e-02 -6.0000e+00 2.2857e-02 -6.0382e-03 7.7644e-04 5.1485e-03 -6.0000e+00 1.3584e-02 -5.1129e-03 3.6691e-04 1.4463e-03 -6.0000e+00 5.8237e-03 2.5724e-03 -7.2854e-04 2.6461e-05 1.8086e-05 -6.0000e+00 4.0933e-04 -4.9096e-02 0.0000e+00 12 9 9 12 1 1 98.69 23.56 0.34 -0.04910 -0.05457 74 17 1 5 0 654.310 26.94 20.01 23.56 27.64 21.3 1043.20 2675 1029 596 -1974 -3366 -2248 -611 2091 823 -1648 -5199 -3218 -1000 -498 813 642 -480 600 1477 1390 1052 -559 832 1988 1908 1167 -112 -958 -978 -190 722 2174 2117 -981 -4571 -4014 -3675 -1543 -162 -640 -878 -833 -279 -316 228 403 -583 -694 -1041 -575 642 953 887 941 543 1033 1048 7 -242 -278 370 1571 2330 2283 954 -1229 -1499 -1375 899 1591 500 1186 908 1416 693 -586 -1315 -2251 -1504 -1426 -1948 -2012 -2615 -2184 -861 -209 670 937 1119 1361 694 -78 -1459 -485 -78 -304 484 1124 907 -73 -730 -1826 -1017 -152 -803 -1876 -1209 -1295 -85 965 1115 1006 521 270 -175 -425 -46 -173 653 536 388 274 690 677 837 333 -873 659 458 93 -297 -1028 -630 -26 273 -17 191 548 502 -80 -225 -1459 469 199 117 -376 -588 -363 -100 370 163 -347 -1128 -693 -228 -128 231 198 -156 198 498 483 374 -201 297 728 736 466 -45 -365 -351 -65 251 799 828 -401 -1858 -1580 -1535 -733 -82 -373 -560 -558 -190 -217 156 272 -390 -450 -658 -360 411 645 634 700 416 803 825 5 -189 -217 295 1318 2084 2142 901 -1107 -1240 -1095 739 1445 500 1229 946 1421 656 -509 -1038 -1692 -1154 -1205 -1845 -2087 -2666 -2335 -966 -250 839 1206 1435 1682 806 -83 -1563 -495 -82 -351 561 1411 1203 -97 -920 -2149 -1142 -175 -992 -2490 -1668 -1859 -126 1382 1660 1508 755 395 -235 -541 -57 -226 905 792 592 416 1014 956 1126 427 -1080 800 585 127 -425 -1512 -940 -41 442 -27 309 901 830 -131 -357 -2264 SS 20230522T195138.4Z 8542.827527 13 1 2.54 2 43.49 255.75 14.14 199.61 0.00 1 0.00 1 0 17 1.729e-02 1.183e-02 1.208e-02 6.509e-03 2.144216e-01 3.509357e-03 2.623364e-03 -6.000000e+00 1.053350e-02 231.54 -2.00 3.51 -2.00 315.84 0.00e+00 9.507994e-04 3.529032e-04 1.395089e-04 -6.000000e+00 4.569107e-04 284.24 -2.00 20.00 -2.00 315.18 0.00e+00 1.377 0.000 302.00 328.00 3 4.4297e+00 9.1181e-03 1.7914e-02 -6.0000e+00 2.6396e-02 4.7868e-02 1.0064e-02 1.1223e-02 -6.0000e+00 2.8372e-02 -1.2972e-02 5.8011e-03 5.4600e-03 -6.0000e+00 1.6864e-02 -2.2212e-03 2.6740e-03 1.5553e-03 -6.0000e+00 7.2363e-03 1.2105e-03 -8.7499e-04 1.9640e-04 1.9977e-05 -6.0000e+00 5.0775e-04 -5.5047e-02 0.0000e+00 12 9 9 12 1 1 999.00 23.56 0.48 -0.05505 -0.06162 1 9 1 5 0 1182.820 26.83 20.01 23.56 28.56 21.4 1050.96 221 -1859 2996 -7024 -681 -2004 -290 2519 -1666 -1307 87 -518 5082 2904 3172 -516 238 3089 -679 1253 3721 817 3117 995 351 -1668 -950 -2672 786 283 556 2115 479 2094 -7121 -3323 -5007 -1231 -2825 -1118 -1346 -1699 688 -149 -288 702 -705 -698 -1924 -1405 151 798 154 868 138 1702 740 1336 722 382 1346 957 3208 1673 2119 -960 -828 -874 1169 1449 1678 1766 422 656 733 -337 -2304 -1231 -434 -855 -2445 -1897 -2126 -2248 44 -809 609 621 1489 1544 316 29 -1791 -188 -619 401 -321 734 449 -1094 111 -2112 -107 -225 -707 -2186 -1264 -1943 -255 853 1191 936 607 465 -305 -186 510 -337 1018 269 683 -70 105 1046 973 159 -481 1201 684 651 284 -1292 -189 -584 551 -457 -562 1254 578 26 -393 -1817 49 -457 714 -1752 -144 -402 -59 547 -417 -340 22 -135 1355 847 1040 -191 91 1186 -264 493 1455 328 1229 415 155 -775 -433 -1176 332 116 232 934 217 951 -3411 -1489 -2415 -663 -1744 -742 -936 -1248 506 -111 -215 517 -516 -495 -1409 -1019 112 593 122 710 112 1383 615 1099 589 311 1115 847 2862 1594 2006 -877 -723 -734 1013 1333 1679 1773 432 675 706 -310 -1952 -1015 -364 -759 -2362 -1918 -2300 -2466 50 -957 753 792 1880 1887 380 34 -1893 -196 -671 450 -385 917 574 -1416 138 -2581 -122 -265 -862 -2876 -1663 -2678 -350 1223 1714 1362 885 655 -412 -236 634 -439 1347 381 960 -99 149 1411 1299 204 -612 1493 898 877 388 -1829 -269 -839 825 -701 -891 1987 927 42 -608 -2745 SS 20230522T195613.6Z 8542.830713 16 1 9.20 2 44.33 256.72 14.45 203.43 0.00 1 0.00 1 0 17 1.504e-02 1.085e-02 4.079e-03 2.087e-03 2.117988e-01 1.123742e-03 2.566127e-03 -6.000000e+00 9.156130e-03 231.54 -2.00 3.51 -2.00 316.01 0.00e+00 9.028672e-04 1.168943e-04 1.771875e-04 -6.000000e+00 3.974759e-04 284.24 -2.00 20.00 -2.00 315.33 0.00e+00 1.396 0.000 302.00 328.00 3 4.0254e+00 2.9245e-03 1.7919e-02 -6.0000e+00 2.2944e-02 2.9461e-02 3.2313e-03 1.0995e-02 -6.0000e+00 2.4668e-02 -3.3540e-03 1.8678e-03 5.3445e-03 -6.0000e+00 1.4661e-02 -6.3942e-03 8.6496e-04 1.5098e-03 -6.0000e+00 6.2861e-03 1.7989e-03 -8.7959e-04 6.3354e-05 1.9207e-05 -6.0000e+00 4.4170e-04 -4.9984e-02 0.0000e+00 12 9 9 12 1 1 97.45 23.66 0.22 -0.04998 -0.05659 9 12 1 5 0 903.410 26.94 20.01 23.66 28.99 21.2 1052.35 2928 -485 3835 -2996 -1323 -3064 1254 2639 -1557 -2499 -4129 -2700 -1827 85 838 756 -1217 190 2241 1006 2083 -529 1483 1085 1750 563 14 -486 37 -779 1079 2912 1529 -471 -4813 -4022 -4470 -2122 -594 -562 -827 -493 170 -585 497 745 -637 -773 -1455 -76 294 534 371 1330 185 1758 978 -19 175 -269 446 1813 2581 2512 1406 -988 -1578 -1449 873 1852 464 1128 745 1792 481 -317 -1429 -2677 -1896 -1449 -1454 -2020 -2364 -2331 -603 -374 623 988 1212 1306 675 -92 -1457 -222 -532 -290 680 1148 1381 -417 -570 -2242 -1246 -197 -1084 -1819 -1318 -1178 -190 996 1108 1079 602 253 -204 -253 1 -151 1117 572 516 384 784 780 988 355 -1208 647 83 244 -343 -1137 -830 -85 311 73 423 320 519 -36 -257 -1361 583 -109 836 -662 -260 -575 232 534 -363 -612 -1024 -670 -488 24 260 255 -437 69 826 387 808 -210 581 442 747 251 6 -205 15 -299 418 1189 675 -215 -2208 -1783 -2117 -1069 -350 -358 -578 -341 119 -418 352 522 -470 -554 -1021 -52 209 403 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