File name: Pandora55s1_QueensNY_20230630_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T115054.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230630_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20230630 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20230630T131007.7Z 8581.548700 198 1 48.78 2 50.66 91.99 158.32 322.92 0.00 1 0.00 1 0 17 2.314e-02 9.077e-03 3.645e-03 1.809e-03 2.264253e-01 9.619829e-04 2.711983e-03 -6.000000e+00 1.399409e-02 232.90 -2.00 3.51 -2.00 316.13 0.00e+00 1.849692e-04 1.056583e-04 9.814526e-05 -6.000000e+00 6.213456e-04 288.14 -2.00 20.00 -2.00 315.35 0.00e+00 1.574 0.000 302.00 328.00 3 5.1879e+00 2.5192e-03 1.9817e-02 -6.0000e+00 3.5110e-02 1.3154e-02 2.8000e-03 1.1863e-02 -6.0000e+00 3.7852e-02 3.7431e-03 1.6053e-03 5.7306e-03 -6.0000e+00 2.2551e-02 -2.0678e-03 7.2761e-04 1.5792e-03 -6.0000e+00 9.4360e-03 4.6545e-04 -5.2076e-04 5.5494e-05 2.1238e-05 -6.0000e+00 6.9142e-04 3.3618e-04 0.0000e+00 11 9 0 11 32 0 2.24 22.65 0.40 0.00034 -0.00358 14 3 1 5 0 3483.640 26.00 20.01 22.65 36.88 35.7 1100.00 -7107 -6001 11661 -9546 -546 -519 -1934 10365 743 -2033 -4667 -1658 -3789 -1257 5617 -154 -4299 1712 6465 2354 3565 765 2495 -2477 374 -594 5124 -797 -751 -787 -244 2662 916 -3887 -1670 -205 -2142 -1285 927 421 -1875 491 -2697 -1667 -756 702 -1648 1007 -113 908 -174 -990 14 2155 1620 839 2084 486 1226 760 1039 2071 1124 -391 -296 -1638 504 -410 1167 714 -311 138 361 -684 214 -617 460 1473 20 -565 -851 -21 -1385 -1127 -1824 -499 -1142 -248 -433 -264 -888 111 427 1174 888 957 208 715 -97 -625 -372 -487 24 1221 587 -182 -270 -722 124 33 449 -549 17 -257 -638 307 632 1047 112 -272 -1056 -183 394 605 -1 113 -8 706 419 135 792 358 469 310 511 -118 99 330 -378 -694 -496 -294 -241 -196 -1418 -1294 2230 -2141 -105 -94 -356 1858 159 -471 -1123 -392 -961 -344 1612 -50 -1521 594 2219 859 1315 291 941 -996 153 -254 2110 -335 -302 -306 -94 1052 390 -1771 -743 -87 -942 -611 491 251 -1238 335 -1932 -1204 -543 499 -1180 697 -78 614 -119 -709 10 1634 1268 671 1682 399 997 615 843 1715 979 -360 -278 -1536 445 -348 978 630 -295 137 366 -696 211 -585 406 1221 17 -479 -775 -20 -1429 -1206 -2027 -572 -1371 -305 -543 -330 -1089 130 470 1227 915 1017 234 854 -122 -815 -483 -610 29 1418 696 -225 -347 -957 168 47 644 -812 26 -375 -895 409 812 1335 147 -371 -1498 -263 563 853 -1 152 -10 895 531 176 1068 498 661 443 744 -177 153 520 -604 -1119 -792 -462 -371 -298 SS 20230630T131603.9Z 8581.552823 201 1 50.24 2 49.54 93.00 158.95 326.05 0.00 1 0.00 1 0 17 1.756e-02 7.969e-03 3.048e-03 1.593e-03 2.221225e-01 8.485254e-04 2.677113e-03 -6.000000e+00 1.061640e-02 232.90 -2.00 3.51 -2.00 315.98 0.00e+00 -4.033830e-04 8.996366e-05 3.293672e-05 -6.000000e+00 4.714052e-04 288.14 -2.00 20.00 -2.00 315.21 0.00e+00 1.538 0.000 302.00 328.00 3 5.0328e+00 2.2185e-03 1.9414e-02 -6.0000e+00 2.6635e-02 9.2699e-03 2.4637e-03 1.1675e-02 -6.0000e+00 2.8717e-02 1.4403e-03 1.4098e-03 5.6479e-03 -6.0000e+00 1.7108e-02 -2.5670e-04 6.3402e-04 1.5591e-03 -6.0000e+00 7.1579e-03 5.7045e-04 -4.4970e-04 4.8954e-05 2.1117e-05 -6.0000e+00 5.2458e-04 9.5935e-04 0.0000e+00 11 9 0 11 40 0 18.05 22.65 0.43 0.00096 -0.00242 17 3 1 5 0 2954.760 25.90 20.01 22.65 37.15 35.7 1100.00 -5269 -5452 7201 -8322 -1808 -769 -845 6730 502 -1534 -2583 -2103 -1121 -1857 4269 2890 -3443 830 3396 2479 2627 1241 1665 -1865 482 -1014 4214 -1300 -433 -255 386 1678 854 -3656 -1123 1536 -1250 -1097 827 401 -1500 -151 -1748 -1212 -1311 314 -1764 249 -378 710 224 -846 -330 1232 616 543 2118 391 1677 702 1386 1789 1463 -271 26 659 438 -245 823 1097 -559 -355 -93 -600 -129 -706 139 804 564 -510 -506 73 -1210 -1231 -1549 -910 -998 -205 -677 -253 -801 -235 314 1121 1128 1089 256 492 -373 -561 -256 -542 40 1005 445 -628 -331 -507 131 608 574 -432 28 -59 -331 196 445 928 192 -47 -945 -498 256 242 115 178 -62 847 754 -97 578 285 538 362 498 -415 178 271 -195 -476 -529 -94 -655 -115 -1116 -1258 1536 -1974 -377 -149 -166 1341 116 -380 -656 -535 -297 -544 1311 970 -1267 304 1250 943 1018 491 659 -779 206 -454 1830 -574 -182 -103 155 693 376 -1713 -512 669 -564 -537 451 246 -1013 -106 -1272 -890 -963 228 -1287 177 -263 488 156 -614 -249 952 491 441 1733 324 1377 576 1136 1500 1285 -252 24 613 389 -209 696 972 -534 -356 -95 -612 -128 -674 124 674 464 -434 -462 71 -1249 -1319 -1719 -1048 -1195 -252 -848 -317 -982 -275 346 1173 1161 1157 288 588 -471 -729 -331 -676 47 1165 528 -780 -425 -668 176 840 820 -634 41 -85 -461 259 569 1179 249 -64 -1333 -715 364 340 159 238 -81 1068 950 -126 776 394 754 513 720 -620 272 423 -308 -759 -838 -147 -1001 -174 SS 20230630T132142.6Z 8581.556743 204 1 50.46 2 48.47 93.98 159.51 329.17 0.00 1 0.00 1 0 25 1.573e-02 7.864e-03 2.512e-03 1.365e-03 2.172655e-01 7.280867e-04 2.622495e-03 -6.000000e+00 9.508366e-03 232.90 -2.00 3.51 -2.00 315.85 0.00e+00 -1.953563e-04 7.496645e-05 4.612592e-05 -6.000000e+00 4.222906e-04 288.14 -2.00 20.00 -2.00 315.09 0.00e+00 1.505 0.000 302.00 328.00 3 4.7937e+00 1.9012e-03 1.8997e-02 -6.0000e+00 2.3855e-02 6.7043e-03 2.1100e-03 1.1407e-02 -6.0000e+00 2.5722e-02 5.1607e-03 1.2056e-03 5.5219e-03 -6.0000e+00 1.5324e-02 -3.3937e-03 5.3898e-04 1.5028e-03 -6.0000e+00 6.4093e-03 7.5424e-04 -6.3928e-04 4.1907e-05 2.0835e-05 -6.0000e+00 4.6998e-04 2.7480e-03 0.0000e+00 11 9 0 11 40 0 85.00 22.66 0.26 0.00275 -0.00206 22 4 1 5 0 2292.390 26.00 20.02 22.66 37.29 35.7 1100.00 -3751 -4562 4094 -7964 -2119 -1225 -465 7005 1685 -313 -1366 -141 -1271 -1777 3682 -751 -3003 5266 2539 1263 1649 537 1606 -1048 -64 -438 2754 -1175 -653 230 609 1948 448 -3221 -789 2488 -777 -204 951 -405 -1642 -710 -1589 -1490 -989 -372 -1676 26 -626 671 119 -101 44 1563 1290 747 1640 733 1100 785 1144 1898 1059 -313 -262 -1083 431 -245 1240 1027 1 65 -260 -984 -256 -546 63 980 1120 -234 -470 -228 -1437 -1001 -1267 -728 -1032 -297 -481 -258 -606 88 441 1427 1245 956 603 734 -396 -581 -376 -474 115 1141 197 -658 -534 -648 -7 482 184 -428 -220 -219 -522 301 677 1021 508 -399 -955 -289 51 224 113 270 346 1142 801 220 395 209 456 186 495 -260 19 166 -354 -773 -194 -374 -307 50 -832 -1105 950 -1986 -470 -253 -96 1474 407 -81 -361 -37 -354 -544 1191 -271 -1149 1942 980 505 669 222 661 -451 -29 -202 1251 -536 -284 96 252 831 204 -1553 -370 1111 -360 -102 532 -255 -1128 -509 -1172 -1114 -738 -276 -1244 18 -447 470 85 -74 33 1222 1038 612 1358 613 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