File name: Pandora75s1_EssexMD_20250516_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250517T051011.7Z 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: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250516_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250516 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20250516T124150.0Z 9267.529051 284 1 50.79 2 58.94 89.79 93.82 235.38 0.00 1 0.00 1 0 17 2.900e-02 9.149e-03 6.063e-03 2.022e-03 2.668344e-01 1.067446e-03 3.128372e-03 -6.000000e+00 1.756315e-02 231.24 -2.00 3.48 -2.00 317.20 0.00e+00 6.962363e-04 1.515208e-04 3.536691e-04 -6.000000e+00 7.757673e-04 284.70 -2.00 20.00 -2.00 316.43 0.00e+00 1.930 0.000 302.00 328.00 3 5.3643e+00 2.8336e-03 2.3759e-02 -6.0000e+00 4.3915e-02 4.4266e-03 3.1772e-03 1.3687e-02 -6.0000e+00 4.7523e-02 -2.7167e-03 1.8720e-03 6.6253e-03 -6.0000e+00 2.8291e-02 -3.5290e-03 8.8540e-04 1.8084e-03 -6.0000e+00 1.1700e-02 2.5977e-04 -1.0253e-04 6.4491e-05 2.3009e-05 -6.0000e+00 8.9833e-04 7.4571e-03 8.5989e-06 11 9 0 11 40 0 99.63 23.64 0.92 0.00746 0.00669 17 3 1 5 0 2987.340 26.32 19.99 23.64 32.45 6.1 1055.68 -24372 832 8157 -200 -8454 10971 -1848 99 -8144 -633 -3059 -253 495 4078 1817 -2005 -1125 378 403 49 2275 2302 1822 82 992 -373 -473 -3578 -1971 4109 -1419 -3 -634 -1464 -3250 -2172 -3453 -2310 751 666 -1928 958 691 751 1574 -179 428 -1408 833 670 -32 -312 1715 2421 1329 1739 440 -177 -762 -427 944 2223 2091 1534 1038 -917 117 -783 889 660 417 1071 66 176 -188 -1020 -2335 -1394 -2383 -2516 -1517 -2307 -935 -1938 -456 -235 266 1001 775 878 378 -370 -690 -773 -928 334 512 291 306 133 -1171 -1337 -843 -559 -1174 -1202 -549 232 598 971 1390 638 -71 -151 -124 437 292 312 409 308 212 547 875 369 612 -244 102 -256 492 226 -562 -593 -250 -205 17 75 22 636 157 214 -387 -642 -725 -3450 101 949 -24 -1022 1040 -206 12 -1172 -89 -450 -37 80 728 377 -478 -257 89 98 12 575 585 474 23 286 -113 -143 -1068 -548 1165 -404 -1 -207 -495 -1084 -710 -1231 -939 351 331 -1082 551 411 453 942 -109 254 -835 476 387 -20 -203 1161 1712 908 1210 315 -127 -544 -304 683 1698 1725 1342 910 -773 92 -609 719 593 380 1014 63 163 -175 -867 -1839 -1044 -1879 -2205 -1367 -2306 -988 -2043 -506 -278 329 1187 981 1069 430 -417 -724 -794 -1003 365 621 364 401 172 -1450 -1649 -993 -676 -1524 -1550 -738 326 828 1421 2117 986 -107 -213 -172 571 381 426 593 444 312 796 1313 533 838 -321 137 -330 666 327 -809 -880 -380 -325 29 124 37 1093 271 359 -633 -1081 -1208 SS 20250516T125214.7Z 9267.536282 287 1 52.28 2 56.92 91.45 95.42 236.91 0.00 1 0.00 1 0 17 1.786e-02 8.477e-03 3.958e-03 1.571e-03 2.527601e-01 8.307459e-04 2.964804e-03 -6.000000e+00 1.081790e-02 231.24 -2.00 3.48 -2.00 316.82 0.00e+00 8.647541e-04 1.064392e-04 2.834426e-04 -6.000000e+00 4.778218e-04 284.70 -2.00 20.00 -2.00 316.05 0.00e+00 1.826 0.000 302.00 328.00 3 5.0878e+00 2.1869e-03 2.2454e-02 -6.0000e+00 2.7049e-02 3.0690e-03 2.4480e-03 1.2895e-02 -6.0000e+00 2.9271e-02 -1.6563e-04 1.4220e-03 6.2409e-03 -6.0000e+00 1.7425e-02 -5.6950e-03 6.5865e-04 1.7221e-03 -6.0000e+00 7.2066e-03 3.8804e-04 -4.3583e-05 5.0001e-05 2.2292e-05 -6.0000e+00 5.5332e-04 6.6478e-03 -1.6706e-05 11 9 0 11 8 0 60.64 23.64 0.68 0.00665 0.00632 22 4 1 5 0 2376.250 26.32 20.00 23.64 33.16 6.1 1060.50 -12298 853 3505 2265 -3977 -6338 3548 273 -3452 -3721 -3851 -380 -396 2986 1065 -663 -211 1262 -306 374 2609 1808 917 1585 -92 1349 438 -3124 -1157 1256 -1107 -130 239 -1781 -2969 -2753 -2364 -2089 85 280 -1205 101 662 453 -300 287 -310 -1035 -700 660 383 70 1186 1804 1314 1430 766 -140 -513 -101 883 2408 2255 1578 772 -110 -127 -472 1116 888 619 1401 190 165 -124 -996 -1656 -1334 -2247 -2067 -1742 -2376 -2000 -1533 -843 -249 491 830 694 683 553 -296 -685 -620 -710 404 512 281 494 -220 -961 -1397 -738 -758 -1134 -1048 -766 285 658 1117 1128 473 459 -196 -252 252 38 234 549 324 580 505 730 449 495 -200 -235 -49 359 23 -506 -418 -263 -229 47 -7 355 610 177 82 -286 -606 -840 -1917 128 528 331 -566 -880 461 40 -580 -662 -696 -68 -78 650 244 -170 -57 350 -90 112 782 548 286 512 -32 473 155 -1093 -375 391 -368 -46 90 -701 -1145 -1048 -964 -897 42 161 -713 62 418 290 -194 184 -196 -645 -428 401 244 48 843 1339 941 1045 571 -105 -382 -75 669 1920 1939 1438 659 -95 -104 -378 929 821 583 1369 188 158 -111 -873 -1334 -1027 -1816 -1849 -1618 -2442 -2055 -1658 -967 -285 588 1020 853 809 647 -320 -736 -648 -780 451 595 359 659 -292 -1214 -1652 -886 -936 -1414 -1383 -999 386 934 1583 1668 707 663 -280 -333 334 50 323 762 476 868 749 1052 622 689 -267 -304 -64 493 32 -737 -626 -404 -347 75 -11 577 1008 295 134 -474 -979 -1345 SS 20250516T131725.6Z 9267.553769 297 1 51.00 2 52.06 95.65 99.41 240.49 0.00 1 0.00 1 0 17 2.011e-02 9.279e-03 4.820e-03 2.113e-03 2.284375e-01 1.116465e-03 2.680469e-03 -6.000000e+00 1.218439e-02 231.24 -2.00 3.48 -2.00 316.58 0.00e+00 1.019146e-03 1.358735e-04 2.299529e-04 -6.000000e+00 5.381288e-04 284.70 -2.00 20.00 -2.00 315.83 0.00e+00 1.623 0.000 302.00 328.00 3 5.7832e+00 2.9357e-03 2.0072e-02 -6.0000e+00 3.0466e-02 1.8781e-02 3.2817e-03 1.1651e-02 -6.0000e+00 3.2967e-02 -2.7340e-03 1.8906e-03 5.6436e-03 -6.0000e+00 1.9626e-02 -5.2996e-03 8.6145e-04 1.6002e-03 -6.0000e+00 8.1175e-03 2.4451e-04 1.2660e-04 6.7098e-05 2.0316e-05 -6.0000e+00 6.2310e-04 6.9765e-03 2.9100e-05 11 9 0 11 40 0 98.55 23.64 0.79 0.00698 0.00793 16 3 1 5 0 3187.090 26.32 19.99 23.64 34.46 6.1 1068.05 -14963 59 -3309 3895 503 -8010 1245 -132 -4509 -2161 -3831 68 195 5446 2732 406 -1172 939 38 1436 1192 3070 953 939 1051 1006 -552 -2849 -848 2907 -2027 63 1081 -1033 -2465 -1316 -2177 -1759 774 1464 -2020 839 202 91 -256 -473 -178 -1192 -799 486 281 -527 1525 1089 1333 1471 566 -260 -689 133 1279 2923 2329 1331 833 -329 -319 -138 83 1612 253 1636 563 178 -404 -1077 -1957 -1361 -2632 -2476 -1261 -2114 -1686 -1646 -363 -81 -101 819 689 735 456 -551 -841 -958 -1147 331 583 289 595 229 -933 -1523 -704 -644 -1533 -901 -630 479 529 926 1439 806 310 -283 -284 405 -103 -30 238 -82 773 773 577 552 441 314 120 -417 611 339 -866 -315 -81 -303 95 -129 99 568 -38 340 -281 -730 -789 -2805 10 -619 648 79 -1295 189 -22 -867 -427 -777 14 42 1270 738 112 -345 281 12 455 386 976 314 322 376 370 -205 -1035 -285 1010 -697 23 408 -408 -952 -496 -888 -821 415 825 -1292 549 137 63 -176 -324 -119 -787 -514 310 187 -374 1119 841 977 1097 431 -199 -524 100 984 2357 2029 1227 767 -287 -260 -109 69 1463 235 1566 546 181 -383 -933 -1689 -1115 -2262 -2166 -1213 -2088 -1772 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