File name: Pandora187s1_PittsburghPA_20240808_L2Fit_fout2c5d20230706p1-8.txt File generation date: 20241126T204632.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v5d20230706.txt Level 1 file used: Pandora187s1_PittsburghPA_20240808_L1_smca1c5d20230706p1-8.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: 20240808 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]: 305.0595 305.2010 305.3424 305.4838 305.6252 305.7666 305.9080 306.0494 306.1908 306.3321 306.4735 306.6148 306.7561 306.8974 307.0387 307.1800 307.3213 307.4626 307.6038 307.7451 307.8863 308.0275 308.1687 308.3099 308.4511 308.5923 308.7335 308.8746 309.0158 309.1569 309.2980 309.4391 309.5802 309.7213 309.8624 310.0035 310.1445 310.2856 310.4266 310.5676 310.7086 310.8496 310.9906 311.1316 311.2726 311.4135 311.5545 311.6954 311.8363 311.9772 312.1181 312.2590 312.3999 312.5408 312.6816 312.8225 312.9633 313.1041 313.2449 313.3857 313.5265 313.6673 313.8080 313.9488 314.0895 314.2303 314.3710 314.5117 314.6524 314.7931 314.9338 315.0744 315.2151 315.3557 315.4963 315.6370 315.7776 315.9182 316.0587 316.1993 316.3399 316.4804 316.6210 316.7615 316.9020 317.0425 317.1830 317.3235 317.4640 317.6044 317.7449 317.8853 318.0257 318.1662 318.3066 318.4470 318.5873 318.7277 318.8681 319.0084 319.1488 319.2891 319.4294 319.5697 319.7100 319.8503 319.9905 320.1308 320.2710 320.4113 320.5515 320.6917 320.8319 320.9721 321.1123 321.2524 321.3926 321.5327 321.6728 321.8130 321.9531 322.0932 322.2333 322.3733 322.5134 322.6534 322.7935 322.9335 323.0735 323.2135 323.3535 323.4935 323.6335 323.7734 323.9134 324.0533 324.1932 324.3332 324.4731 324.6129 324.7528 324.8927 --------------------------------------------------------------------------------------- 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 20240808T144338.1Z 8986.613635 196 1 47.01 2 42.75 113.15 86.71 94.39 0.00 1 0.00 1 0 17 1.145e-02 8.105e-03 5.602e-03 2.938e-03 1.825563e-01 1.532018e-03 2.215887e-03 -6.000000e+00 6.763855e-03 231.82 -2.00 3.49 -2.00 316.00 0.00e+00 2.124599e-04 1.627503e-04 2.564790e-05 -6.000000e+00 3.008006e-04 289.09 -2.00 20.00 -2.00 315.22 0.00e+00 1.360 0.000 302.00 328.00 3 5.8005e+00 4.0020e-03 1.6384e-02 -6.0000e+00 1.6934e-02 5.2392e-02 4.4481e-03 9.5775e-03 -6.0000e+00 1.8254e-02 -2.2354e-03 2.5513e-03 4.6440e-03 -6.0000e+00 1.0878e-02 -4.2451e-03 1.1717e-03 1.2844e-03 -6.0000e+00 4.6519e-03 3.4883e-04 3.2566e-04 8.5821e-05 1.6523e-05 -6.0000e+00 3.1929e-04 -9.0875e-03 4.0798e-06 11 8 0 10 0 0 99.74 18.38 0.42 -0.00909 -0.00664 21 6 1 5 0 2238.030 21.69 15.00 18.38 33.38 31.2 1002.47 1648 1574 554 -2886 -2465 -2417 -293 996 454 -2629 -2216 403 -1976 -126 -1192 209 233 1214 -203 2133 1470 -588 -168 1287 883 -96 298 -773 -1100 7 1639 638 4191 -1054 -3609 -2008 -1213 -1942 -621 -681 -1186 -864 -408 -264 116 118 -352 -1096 -991 -404 773 265 556 682 1546 1277 1850 656 706 587 706 1681 2123 1301 34 -957 -830 -576 225 449 362 862 595 722 -31 143 -754 -1351 -4056 -994 -808 -1481 -2271 -1286 -466 -351 -785 1070 839 879 319 -283 -206 -147 -140 -422 926 320 51 -1 -380 -1113 -188 -244 -885 -633 -196 -176 859 484 491 802 425 -189 -159 -385 -241 -46 132 -189 -682 203 -73 84 199 -551 610 1273 815 983 522 233 299 307 312 -366 236 -454 -369 -94 -468 -783 357 368 132 -664 -499 -463 -58 213 108 -673 -553 99 -539 -38 -402 75 86 453 -79 834 586 -236 -68 539 387 -44 134 -326 -430 3 627 261 1754 -468 -1533 -826 -542 -1015 -381 -441 -833 -627 -301 -195 84 85 -248 -750 -655 -265 525 191 419 536 1229 1033 1504 535 565 471 587 1484 2001 1285 33 -850 -680 -460 192 429 374 916 629 730 -29 120 -631 -1089 -3548 -863 -777 -1559 -2540 -1382 -533 -429 -1010 1383 1078 1070 358 -313 -208 -147 -148 -492 1085 410 68 -2 -452 -1341 -220 -303 -1104 -827 -266 -249 1258 695 725 1161 626 -256 -198 -498 -317 -59 182 -276 -1013 294 -103 112 251 -718 757 1613 1017 1289 710 322 422 454 488 -555 366 -720 -579 -154 -745 -1212 SS 20240808T151006.0Z 8986.632014 209 1 3.81 2 38.25 120.10 81.91 98.71 0.00 1 0.00 1 0 17 1.048e-02 7.911e-03 8.714e-03 5.505e-03 1.714506e-01 2.901537e-03 2.104530e-03 -6.000000e+00 6.193290e-03 231.82 -2.00 3.49 -2.00 315.25 0.00e+00 3.283431e-04 2.634803e-04 2.328608e-05 -6.000000e+00 2.753972e-04 289.09 -2.00 20.00 -2.00 314.54 0.00e+00 1.272 0.000 302.00 328.00 3 4.5348e+00 7.5098e-03 1.5367e-02 -6.0000e+00 1.5505e-02 5.0698e-02 8.3212e-03 9.0288e-03 -6.0000e+00 1.6713e-02 -9.7601e-03 4.7616e-03 4.3850e-03 -6.0000e+00 9.9602e-03 -2.6370e-03 2.1226e-03 1.2323e-03 -6.0000e+00 4.2601e-03 1.3816e-03 1.7515e-04 1.5900e-04 1.6205e-05 -6.0000e+00 2.9230e-04 -1.0376e-02 -4.2344e-06 12 9 1 12 1 1 999.00 18.38 0.44 -0.01038 -0.00906 2 11 1 5 0 1265.620 21.79 15.01 18.38 34.28 31.2 1008.37 1571 -1273 -58 -2947 -3351 -692 346 1026 545 -1186 -1681 258 1098 -1512 -998 1466 -173 743 1376 1431 1169 948 886 1806 1209 179 -178 -646 -744 492 1432 382 2707 -988 -2833 -2677 -2351 -1787 -777 -1356 -787 -1030 -752 147 161 -459 -208 -850 -1324 -473 165 176 567 703 847 1202 1098 40 1070 1278 1616 1974 1772 1670 -98 -633 -705 -79 -222 494 -257 773 50 1308 277 131 -248 -1088 -270 -1026 -1054 -1741 -2742 -1227 -620 -546 -407 458 18 595 199 -38 -63 257 -305 57 626 990 616 31 -631 -978 -270 -571 -961 -1140 -230 -469 909 264 73 272 305 -89 180 -323 -144 210 -27 -187 -434 -65 286 370 296 -367 341 1152 1190 1363 446 843 -158 432 -15 -209 178 -423 -500 -234 -549 -866 462 -377 -17 -918 -923 -175 90 293 173 -398 -555 84 382 -548 -400 617 -76 329 622 664 550 442 419 882 618 95 -93 -318 -337 235 699 180 1322 -504 -1371 -1271 -1213 -1064 -499 -1006 -627 -851 -633 123 133 -380 -166 -657 -993 -350 127 143 479 618 700 1003 927 34 953 1138 1373 1789 1723 1690 -97 -575 -639 -69 -210 480 -271 837 54 1342 265 122 -209 -883 -228 -977 -1027 -1857 -2889 -1338 -722 -679 -495 566 22 740 228 -43 -65 257 -325 67 743 1272 818 40 -761 -1098 -317 -665 -1213 -1513 -294 -626 1254 385 103 401 423 -121 225 -387 -175 270 -35 -257 -605 -89 377 496 376 -445 395 1358 1487 1788 609 1161 -209 595 -22 -319 260 -634 -745 -361 -821 -1262 SS 20240808T151359.8Z 8986.634720 212 1 12.40 2 37.61 121.22 81.20 99.36 0.00 1 0.00 1 0 17 9.413e-03 7.184e-03 2.695e-03 1.699e-03 1.662823e-01 8.956794e-04 2.044347e-03 -6.000000e+00 5.563222e-03 231.82 -2.00 3.49 -2.00 315.26 0.00e+00 4.938793e-04 8.174325e-05 5.037605e-05 -6.000000e+00 2.473823e-04 289.09 -2.00 20.00 -2.00 314.54 0.00e+00 1.261 0.000 302.00 328.00 3 3.7555e+00 2.3193e-03 1.5118e-02 -6.0000e+00 1.3928e-02 3.7525e-02 2.5657e-03 8.7847e-03 -6.0000e+00 1.5013e-02 -4.7746e-03 1.4715e-03 4.2630e-03 -6.0000e+00 8.9470e-03 -3.6379e-03 6.5875e-04 1.2502e-03 -6.0000e+00 3.8266e-03 3.0840e-03 2.4549e-04 4.9316e-05 1.6180e-05 -6.0000e+00 2.6257e-04 -9.8145e-03 1.2477e-05 12 9 1 12 1 1 96.21 18.38 0.42 -0.00981 -0.00797 23 27 1 5 0 516.140 21.79 15.01 18.38 34.56 31.2 1010.04 1205 -474 -259 -3118 -2295 -1052 27 524 216 -728 -1806 -498 96 -332 354 39 55 874 1030 1633 957 728 1268 1236 511 329 93 -452 -222 975 1012 1088 1843 -1536 -3482 -2434 -2518 -1854 -645 -990 -1194 -831 -434 -564 354 -172 -356 -352 -845 190 535 466 900 941 890 1311 1096 530 579 861 964 1446 1791 1396 -37 -749 -863 -457 281 68 44 331 541 752 374 181 -497 -883 -682 -792 -1059 -1569 -2341 -1503 -859 -655 -91 212 568 452 306 -95 -303 256 -175 -99 639 740 149 -288 -587 -937 -152 52 -970 -557 -492 -319 395 448 257 301 507 217 70 82 -138 -72 -64 -151 -371 -53 -151 197 285 -231 498 1398 1080 889 625 459 385 421 127 -322 -31 -337 -449 -281 -467 -973 355 -139 -76 -969 -623 -266 7 150 68 -242 -593 -161 34 -130 139 16 24 383 463 749 448 337 591 601 260 172 48 -219 -99 458 490 504 897 -778 -1675 -1252 -1286 -1091 -445 -723 -941 -675 -359 -469 290 -140 -282 -268 -622 138 403 371 747 814 785 1167 987 476 511 759 881 1300 1719 1398 -36 -671 -772 -397 261 65 45 354 574 764 353 166 -415 -705 -572 -742 -1017 -1646 -2606 -1619 -988 -803 -116 277 734 556 345 -105 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