File name: Pandora187s1_PittsburghPA_20230814_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20230815T092156.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 187 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20230814_L1_smca1c3d20220705p1-8.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: 20230814 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]: 305.0947 305.2360 305.3774 305.5187 305.6601 305.8014 305.9427 306.0840 306.2253 306.3666 306.5079 306.6491 306.7904 306.9316 307.0728 307.2141 307.3553 307.4965 307.6376 307.7788 307.9200 308.0611 308.2023 308.3434 308.4845 308.6256 308.7667 308.9078 309.0489 309.1899 309.3310 309.4720 309.6131 309.7541 309.8951 310.0361 310.1771 310.3181 310.4591 310.6000 310.7410 310.8819 311.0228 311.1637 311.3046 311.4455 311.5864 311.7273 311.8681 312.0090 312.1498 312.2907 312.4315 312.5723 312.7131 312.8539 312.9946 313.1354 313.2761 313.4169 313.5576 313.6983 313.8390 313.9797 314.1204 314.2611 314.4018 314.5424 314.6831 314.8237 314.9643 315.1049 315.2455 315.3861 315.5267 315.6673 315.8078 315.9484 316.0889 316.2294 316.3699 316.5104 316.6509 316.7914 316.9319 317.0723 317.2128 317.3532 317.4936 317.6340 317.7744 317.9148 318.0552 318.1956 318.3359 318.4763 318.6166 318.7569 318.8972 319.0375 319.1778 319.3181 319.4584 319.5986 319.7389 319.8791 320.0193 320.1596 320.2998 320.4400 320.5801 320.7203 320.8605 321.0006 321.1407 321.2809 321.4210 321.5611 321.7012 321.8412 321.9813 322.1214 322.2614 322.4014 322.5415 322.6815 322.8215 322.9615 323.1014 323.2414 323.3814 323.5213 323.6612 323.8012 323.9411 324.0810 324.2209 324.3607 324.5006 324.6405 324.7803 324.9201 --------------------------------------------------------------------------------------- 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 20230814T122618.6Z 8626.518271 150 1 4.06 2 69.10 88.70 48.74 91.37 0.00 1 0.00 1 0 25 3.256e-02 7.101e-03 6.135e-02 8.154e-03 3.483720e-01 4.229159e-03 4.198432e-03 -6.000000e+00 1.913695e-02 231.65 -2.00 3.49 -2.00 318.72 0.00e+00 6.514036e-04 9.160144e-04 3.182712e-04 -6.000000e+00 8.551566e-04 289.20 -2.00 20.00 -2.00 317.88 0.00e+00 2.775 0.000 302.00 328.00 3 3.0392e+00 1.1621e-02 3.2757e-02 -6.0000e+00 4.7881e-02 -8.7758e-03 1.3329e-02 1.8622e-02 -6.0000e+00 5.1713e-02 1.1776e-02 9.1067e-03 8.9949e-03 -6.0000e+00 3.0820e-02 -1.0959e-02 4.7604e-03 2.4648e-03 -6.0000e+00 1.3111e-02 1.1258e-03 -3.2515e-03 2.4173e-04 2.8622e-05 -6.0000e+00 9.0941e-04 -6.5972e-04 0.0000e+00 12 9 1 12 1 1 -103.68 17.75 0.38 -0.00066 -0.02509 3 14 1 5 0 971.410 21.27 14.99 17.75 31.07 27.5 1001.49 -9750 8893 -9900 2589 -11255 -3031 -19828 4818 -13235 -3145 -6335 -10514 1886 -1608 -3737 990 1260 -2202 -2210 -1095 828 -5635 2666 2955 -1438 -1360 -646 -5240 4029 -286 -305 1809 2346 -2905 -3272 -1556 -2611 -2193 -2384 955 -2433 -682 -275 263 1058 1249 -730 887 -152 -504 988 -500 92 -90 2172 1671 2308 -865 1983 -58 1017 1380 3533 962 815 -232 -286 -426 876 -98 119 387 427 298 -476 1627 -1891 -1370 -1055 -1141 -1842 -1123 -2026 -1769 -390 135 273 -135 894 754 1160 -140 370 -386 19 -233 673 309 -571 354 -281 -505 -104 203 -1245 -474 -507 133 -211 201 -81 223 416 -527 114 50 -47 -221 232 -488 -274 210 359 380 -131 -1064 893 870 1119 1022 237 757 65 -39 483 -153 -97 -355 -515 -18 -45 -875 -366 309 -429 103 -465 -113 -946 203 -747 -170 -358 -660 121 -127 -351 99 134 -257 -272 -139 105 -766 348 411 -222 -218 -103 -825 551 -42 -49 315 446 -594 -635 -299 -567 -561 -739 333 -872 -253 -105 101 404 478 -282 334 -58 -199 415 -230 45 -47 1143 908 1268 -486 1064 -32 579 854 2344 695 580 -156 -183 -277 620 -79 95 318 345 229 -368 1107 -1234 -885 -746 -923 -1551 -1034 -2001 -1845 -431 146 309 -157 1015 811 1240 -140 346 -370 20 -274 813 412 -792 468 -347 -575 -125 237 -1593 -631 -711 196 -310 316 -134 366 649 -772 166 71 -68 -316 354 -778 -435 324 535 582 -192 -1501 1210 1245 1611 1581 388 1264 114 -67 878 -291 -188 -699 -1001 -34 -81 -1524 SS 20230814T123708.5Z 8626.525793 153 1 45.68 2 67.04 90.45 46.74 93.16 0.00 1 0.00 1 0 25 2.027e-02 6.029e-03 6.223e-03 9.317e-04 3.240368e-01 4.859764e-04 3.888135e-03 -6.000000e+00 1.194503e-02 231.65 -2.00 3.49 -2.00 318.65 0.00e+00 1.047365e-03 1.016851e-04 1.629416e-04 -6.000000e+00 5.325727e-04 289.20 -2.00 20.00 -2.00 317.80 0.00e+00 2.543 0.000 302.00 328.00 3 1.4452e+00 1.3334e-03 3.0160e-02 -6.0000e+00 2.9889e-02 -2.5642e-03 1.5255e-03 1.7328e-02 -6.0000e+00 3.2248e-02 8.3704e-04 1.0160e-03 8.3753e-03 -6.0000e+00 1.9221e-02 -7.4564e-03 5.2796e-04 2.5303e-03 -6.0000e+00 8.2039e-03 7.1304e-03 -5.8611e-04 2.7900e-05 2.7664e-05 -6.0000e+00 5.6545e-04 -2.0651e-02 0.0000e+00 10 0 0 10 0 0 99.95 17.76 0.31 -0.02065 -0.02506 601 185 1 5 0 76.000 21.27 15.00 17.76 31.74 27.4 1006.45 -1192 -5126 -2571 -8715 -6868 -8303 -4986 -5866 -3451 -6560 -6911 -5558 -3083 -2286 -1332 -637 -1392 836 -475 1347 -423 442 225 1193 -635 -305 -1532 -2112 -2079 -64 613 669 1198 -2256 -3955 -3535 -2459 -1951 -674 -903 -997 -773 -242 -222 759 70 125 -287 -610 381 847 705 886 1119 1018 1535 777 570 517 928 1250 1870 2198 1817 200 -251 -469 -491 609 259 504 330 665 740 412 -78 -473 -1108 -624 -994 -900 -1612 -2295 -1428 -808 -325 237 501 746 696 422 -137 -278 -158 -276 -234 603 680 -124 -429 -658 -978 16 -139 -1073 -765 -603 -323 515 352 244 249 567 148 56 84 -262 -280 -364 -441 -357 51 263 293 306 -271 690 1011 783 751 458 352 279 231 -42 -273 109 -229 -297 -52 -306 -705 -49 -242 -122 -414 -289 -380 -237 -316 -202 -417 -443 -373 -232 -201 -134 -71 -166 103 -62 180 -59 61 32 179 -102 -51 -258 -337 -315 -10 101 121 234 -465 -782 -700 -537 -500 -205 -320 -385 -312 -100 -93 316 29 52 -118 -250 159 378 340 454 550 517 795 412 330 294 528 743 1092 1398 1227 135 -158 -308 -326 399 192 403 273 539 570 292 -55 -309 -721 -442 -732 -744 -1476 -2245 -1464 -886 -378 287 566 908 802 449 -134 -256 -148 -282 -267 765 867 -165 -549 -854 -1174 19 -172 -1321 -986 -816 -458 774 568 413 419 904 220 77 111 -359 -408 -568 -717 -580 80 401 426 425 -360 968 1363 1146 1178 753 594 487 394 -76 -515 209 -448 -573 -97 -548 -1327 SS 20230814T134936.6Z 8626.576119 205 1 17.08 2 53.38 103.23 33.56 107.70 0.00 1 0.00 1 0 17 1.103e-02 6.672e-03 6.764e-03 2.895e-03 2.178712e-01 1.505292e-03 2.639056e-03 -6.000000e+00 6.501557e-03 231.64 -2.00 3.49 -2.00 316.57 0.00e+00 4.443297e-04 1.818752e-04 7.615219e-05 -6.000000e+00 2.898666e-04 289.20 -2.00 20.00 -2.00 315.75 0.00e+00 1.672 0.000 302.00 328.00 3 3.9945e+00 3.9556e-03 1.9922e-02 -6.0000e+00 1.6268e-02 1.1444e-02 4.4128e-03 1.1459e-02 -6.0000e+00 1.7552e-02 2.4526e-03 2.5592e-03 5.5477e-03 -6.0000e+00 1.0462e-02 -6.0881e-03 1.2108e-03 1.5725e-03 -6.0000e+00 4.4656e-03 1.4967e-03 -4.1828e-04 8.4751e-05 1.9081e-05 -6.0000e+00 3.0775e-04 -2.1047e-02 0.0000e+00 12 9 1 12 1 1 99.49 17.75 0.43 -0.02105 -0.02419 13 12 1 5 0 1207.070 21.27 15.00 17.75 33.02 27.7 1013.99 1341 485 284 -3649 -3425 -2440 -1854 41 961 -2955 -3542 -1528 -255 184 -680 270 -687 1183 173 2439 1010 140 863 2347 918 464 -399 -1137 332 460 1637 406 2614 -1796 -3371 -2161 -1957 -856 -784 -626 -1405 -769 -470 8 398 -200 -324 -629 -1533 134 826 297 796 985 1086 1208 1163 199 843 341 1137 1353 1805 1171 -173 -1024 -642 -370 328 732 173 473 241 498 -21 301 -660 -889 -487 -947 -1491 -1154 -2443 -1413 -617 -495 575 700 563 572 368 -55 -57 -110 -361 -298 625 494 151 -267 -272 -885 -172 -160 -844 -592 -837 -330 583 535 107 249 300 167 91 -155 -411 -44 -68 -265 -321 10 31 198 259 -212 849 1118 814 691 638 394 446 367 15 -477 106 -320 -291 -188 -476 -666 213 84 50 -615 -512 -349 -279 7 173 -576 -683 -296 -54 44 -185 79 -210 366 56 795 338 47 294 829 344 180 -153 -411 110 151 559 150 1011 -727 -1296 -821 -821 -416 -413 -378 -921 -520 -325 6 272 -137 -216 -407 -978 85 549 211 592 702 791 894 871 149 673 252 870 1113 1591 1082 -156 -851 -497 -309 272 679 173 487 246 484 -19 263 -532 -697 -408 -821 -1447 -1215 -2535 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