File name: Pandora272s1_Lauder_20260530_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260530T124612.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Richard Querel Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 272 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora272_OF_v3d20240829.txt Instrument calibration file used: Pandora272s1_CF_v2d20241202.txt Level 1 file used: Pandora272s1_Lauder_20260530_L1_smca1c2d20241202p1-8.txt Full location name: Lauder Atmospheric Research Station Short location name: Lauder Country of location: New Zealand Location latitude [deg]: -45.0380 Location longitude [deg]: 169.6840 Location altitude [m]: 370 Local noon date: 20260530 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 based on session 1 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0435 305.1840 305.3244 305.4648 305.6052 305.7456 305.8860 306.0263 306.1667 306.3070 306.4473 306.5877 306.7280 306.8683 307.0086 307.1488 307.2891 307.4293 307.5696 307.7098 307.8500 307.9902 308.1304 308.2706 308.4108 308.5510 308.6911 308.8313 308.9714 309.1115 309.2516 309.3917 309.5318 309.6719 309.8119 309.9520 310.0920 310.2321 310.3721 310.5121 310.6521 310.7921 310.9320 311.0720 311.2120 311.3519 311.4918 311.6317 311.7717 311.9115 312.0514 312.1913 312.3312 312.4710 312.6109 312.7507 312.8905 313.0303 313.1701 313.3099 313.4496 313.5894 313.7292 313.8689 314.0086 314.1483 314.2880 314.4277 314.5674 314.7071 314.8467 314.9864 315.1260 315.2656 315.4052 315.5448 315.6844 315.8240 315.9636 316.1031 316.2427 316.3822 316.5217 316.6612 316.8007 316.9402 317.0797 317.2192 317.3586 317.4981 317.6375 317.7769 317.9163 318.0557 318.1951 318.3345 318.4738 318.6132 318.7525 318.8918 319.0312 319.1705 319.3097 319.4490 319.5883 319.7276 319.8668 320.0060 320.1453 320.2845 320.4237 320.5629 320.7020 320.8412 320.9804 321.1195 321.2586 321.3977 321.5368 321.6759 321.8150 321.9541 322.0932 322.2322 322.3713 322.5103 322.6493 322.7883 322.9273 323.0663 323.2052 323.3442 323.4831 323.6221 323.7610 323.8999 324.0388 324.1777 324.3166 324.4554 324.5943 324.7331 324.8719 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20260529T220512.8Z 9645.920287 617 1 54.96 2 75.37 36.60 110.13 199.95 0.00 1 0.00 1 0 17 2.532e-01 1.405e-02 8.904e-02 2.391e-03 4.254647e-01 1.189810e-03 5.237980e-03 -6.000000e+00 1.420710e-01 220.67 -2.00 3.69 -2.00 319.12 0.00e+00 1.425213e-03 2.927435e-04 3.956121e-04 -6.000000e+00 6.233220e-03 275.07 -2.00 20.00 -2.00 318.57 0.00e+00 3.880 0.001 302.00 328.00 3 3.8061e+00 3.2580e-03 4.2870e-02 -6.0000e+00 3.4833e-01 4.3539e-02 3.7737e-03 2.2390e-02 -6.0000e+00 3.7976e-01 -4.5638e-02 2.8844e-03 1.1517e-02 -6.0000e+00 2.2638e-01 2.0495e-02 1.5385e-03 3.8149e-03 -6.0000e+00 9.7732e-02 1.8375e-04 2.0455e-04 6.8738e-05 4.1120e-05 -6.0000e+00 6.9503e-03 2.7790e-02 -4.1214e-06 12 9 8 11 32 0 99.63 24.91 0.04 0.02779 0.02933 37 4 2 8 0 1485.230 20.00 24.91 7.79 35.00 33.75 1.4 911.53 16214 -4777 -9320 24107 253734 -52199 -51702 -79578 -4221 -28180 -50911 -43210 29777 -13908 -19498 5312 -27010 -2565 -14548 1944 -295 9770 -17777 -146 7316 15271 -4109 14887 7105 -6845 -14694 9736 -490 8430 -14345 11820 -5676 -2881 2432 5573 -3071 11378 458 2257 3311 9139 2610 6817 -4411 4096 5342 1913 1565 702 1888 -310 1400 -2201 -2981 3834 6057 3465 908 2528 -2346 -597 4313 -3284 2031 500 963 419 -1101 2216 -554 -1077 335 -1606 -2669 -1420 -2957 -419 -1903 -5151 -1265 -194 -613 85 938 -1344 375 -642 -914 -422 -1134 -116 -432 2103 85 1889 383 -885 -2036 925 1010 -683 -272 227 -692 106 793 50 -453 897 233 -273 -478 841 -443 978 69 48 1167 771 197 111 -420 136 -56 -320 799 -252 -178 -510 -162 28 -438 607 200 -17 65 -151 -942 325 -133 -282 495 592 -2045 -2170 -4935 -138 -1248 -2884 -2458 972 -846 -1496 364 -2771 -221 -1496 177 -28 834 -2080 -15 757 1531 -507 1447 711 -815 -2120 1235 -77 1276 -2585 1620 -1021 -587 568 1362 -910 3089 145 714 1041 2741 836 2098 -1536 1353 1885 763 673 327 911 -157 716 -1165 -1553 1845 2936 1865 510 1532 -1535 -365 2405 -1973 1232 350 743 315 -841 1702 -406 -713 200 -947 -1692 -1020 -2281 -355 -1783 -5251 -1231 -200 -669 95 1054 -1498 382 -657 -878 -395 -1143 -121 -511 2558 114 2500 488 -1053 -2409 1058 1246 -850 -354 312 -959 158 1274 80 -718 1421 346 -382 -706 1190 -675 1560 114 77 1817 1163 285 164 -598 192 -86 -503 1337 -424 -310 -923 -294 53 -867 1214 407 -34 123 -275 -1762 SS 20260529T222912.5Z 9645.936950 633 1 54.17 2 73.01 31.36 111.28 194.41 0.00 1 0.00 1 0 17 1.320e-01 1.300e-02 2.128e-02 2.341e-03 3.733619e-01 1.161008e-03 4.679296e-03 -6.000000e+00 7.401653e-02 220.67 -2.00 3.69 -2.00 318.58 0.00e+00 1.268239e-03 2.410670e-04 3.811935e-04 -6.000000e+00 3.248123e-03 275.07 -2.00 20.00 -2.00 318.03 0.00e+00 3.371 0.000 302.00 328.00 3 4.2449e+00 3.1091e-03 3.7347e-02 -6.0000e+00 1.8147e-01 5.4094e-02 3.5521e-03 1.9616e-02 -6.0000e+00 1.9787e-01 -3.7243e-02 2.4716e-03 1.0008e-02 -6.0000e+00 1.1796e-01 1.6914e-02 1.3134e-03 3.1579e-03 -6.0000e+00 5.0902e-02 1.9928e-04 -3.2661e-04 6.7387e-05 3.4264e-05 -6.0000e+00 3.6233e-03 2.9188e-02 -8.4263e-05 12 8 8 10 0 0 99.96 24.91 0.15 0.02919 0.02673 51 5 2 8 0 1061.950 20.00 24.91 8.49 34.75 33.75 1.3 915.29 -948 -5871 -23710 3885 116838 -24250 -26564 -49070 -10789 -48289 -30670 -19059 14067 -11622 -9369 3981 -13349 -17 -8135 4839 -3719 11281 -9783 3691 3639 10064 -1727 7976 4768 -3326 -7981 5142 -1492 9792 -12779 8444 -5653 -2686 2467 4716 -1640 7386 -404 1343 2128 5698 1828 3852 -4238 2457 3018 2272 2361 606 1483 -10 1274 -1791 -2170 2454 4708 2053 1181 2130 94 -943 3090 -3477 1636 439 1047 118 -1001 1716 -1253 -1171 -379 -1684 -2202 -1631 -2593 -948 -1962 -2858 -1731 -121 -547 13 904 -1026 297 -1023 -250 -458 -1142 -209 -620 1612 504 2011 12 -588 -2987 386 951 -659 -418 388 -462 -101 644 238 -157 1015 -105 6 -327 774 -202 787 95 -57 1009 570 1598 465 -259 91 61 -476 781 -323 -51 -781 19 174 -313 332 418 -138 -247 -641 -630 -39 -283 -1413 165 1440 -1201 -1443 -3719 -621 -4288 -2303 -1362 845 -1069 -990 416 -1777 -2 -1148 623 -530 1375 -1525 537 557 1509 -294 1169 681 -527 -1459 912 -313 1918 -2961 1559 -1321 -707 674 1491 -611 2649 -163 541 851 2215 735 1507 -1800 999 1309 1076 1193 333 843 -6 696 -1007 -1198 1396 2696 1193 763 1482 68 -652 1945 -2315 1095 337 815 98 -836 1340 -1014 -852 -249 -1078 -1491 -1250 -2109 -850 -1927 -2977 -1769 -130 -624 15 1062 -1192 316 -1094 -247 -439 -1169 -220 -736 1965 671 2635 16 -742 -3556 443 1175 -821 -543 530 -676 -148 1011 389 -255 1542 -160 9 -459 1111 -312 1198 149 -89 1513 884 2325 655 -351 122 87 -747 1216 -535 -87 -1383 33 322 -599 645 778 -266 -457 -1145 -1087 SS 20260529T225737.5Z 9645.956684 652 1 54.16 2 70.64 24.87 112.14 187.72 0.00 1 0.00 1 0 17 5.215e-02 1.031e-02 7.496e-03 1.713e-03 3.362110e-01 8.477739e-04 4.265310e-03 -6.000000e+00 2.924538e-02 220.67 -2.00 3.69 -2.00 317.85 0.00e+00 1.080108e-03 1.424745e-04 2.496134e-04 -6.000000e+00 1.283456e-03 275.07 -2.00 20.00 -2.00 317.27 0.00e+00 2.983 0.000 302.00 328.00 3 4.1642e+00 2.2302e-03 3.3214e-02 -6.0000e+00 7.1703e-02 4.6419e-02 2.5239e-03 1.7643e-02 -6.0000e+00 7.8188e-02 -2.6198e-02 1.6273e-03 8.9262e-03 -6.0000e+00 4.6611e-02 1.1303e-02 8.4549e-04 2.7177e-03 -6.0000e+00 2.0111e-02 3.2411e-04 -9.0128e-04 4.9031e-05 3.0464e-05 -6.0000e+00 1.4320e-03 2.9099e-02 -1.3081e-04 12 9 8 11 32 0 99.92 24.92 0.19 0.02910 0.02233 38 4 1 8 0 1425.090 20.00 24.92 9.99 34.75 33.75 1.3 920.95 335 93 -2600 1545 24541 -12764 -16574 -28038 -5982 -27198 -15901 -14830 5024 -4965 -5378 3938 -6931 -164 -4902 3433 -611 8461 -3750 -724 2780 5874 -1027 2478 2851 -1602 -3621 4754 1675 4523 -7736 3168 -3473 -2546 994 1978 -1350 3997 -138 1026 925 3020 248 2088 -3446 1243 2040 948 1732 1064 476 49 918 -891 -1708 1377 2706 1807 813 2154 -634 -610 1510 -2390 701 535 533 918 -564 1088 -121 -1084 -445 -1472 -1647 -666 -2240 -801 -2294 -2832 -955 -418 -159 146 862 -169 491 -312 -245 -580 -485 -209 -24 1477 635 -137 111 -601 -2473 182 459 -747 -449 -536 -381 -63 740 418 261 893 219 -49 -201 484 104 766 76 45 924 654 1253 382 -516 139 210 -252 603 -246 -428 -713 -164 143 -248 661 142 -55 -242 -439 -732 23 7 -211 113 1271 -936 -1349 -2844 -541 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