File name: Pandora187s1_PittsburghPA_20230119_L2Fit_fout2c3d20220705p1-8.txt File generation date: 20251128T091315.5Z 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 v1.8.75 Instrument operation file used: Pandora187_OF_v4d20210517.txt Instrument calibration file used: Pandora187s1_CF_v3d20220705.txt Level 1 file used: Pandora187s1_PittsburghPA_20230119_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: 20230119 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 20230119T175630.4Z 8419.747574 241 1 46.12 2 61.04 186.95 77.73 214.92 0.00 1 0.00 1 0 17 2.465e-02 8.346e-03 2.646e-02 6.291e-03 2.638428e-01 3.169166e-03 3.248727e-03 -6.000000e+00 1.409300e-02 223.84 -2.00 3.49 -2.00 318.06 0.00e+00 3.482113e-04 5.388198e-04 1.574706e-04 -6.000000e+00 6.079408e-04 274.10 -2.00 20.00 -2.00 317.48 0.00e+00 2.056 0.000 302.00 328.00 3 5.2681e+00 8.4116e-03 2.3953e-02 -6.0000e+00 3.4802e-02 4.1468e-02 9.5147e-03 1.3540e-02 -6.0000e+00 3.7871e-02 4.2177e-03 6.0668e-03 6.7576e-03 -6.0000e+00 2.2507e-02 -7.6191e-03 3.1039e-03 1.9991e-03 -6.0000e+00 9.6227e-03 2.6997e-04 -1.5711e-04 1.9034e-04 2.4222e-05 -6.0000e+00 6.8610e-04 -1.6543e-02 0.0000e+00 11 8 0 10 0 0 99.99 18.50 0.55 -0.01654 -0.01772 47 14 1 5 0 981.140 21.88 15.00 18.50 16.10 23.9 996.85 1866 900 3487 -9884 -15242 -3966 3505 -7203 2822 -1936 894 -3685 3021 -2280 -4504 230 1396 2148 667 3122 1475 -1426 -3933 4164 -719 -3936 -2139 -263 -2785 445 -438 -995 10662 1216 -4029 -4375 -2845 -1144 -576 41 -1524 -1419 -182 716 280 -136 256 -1528 -709 -254 1318 -1153 146 680 1762 1667 1930 492 1509 1664 1198 3072 2160 2204 -400 -489 -602 -753 -133 -197 106 993 -202 286 46 -748 -905 -834 -1328 -1298 -1356 -1489 -2357 -1676 -286 -529 895 140 1037 1140 191 243 617 35 -393 30 68 -455 59 124 -614 -745 -144 141 -1304 -1096 -1020 70 978 319 438 783 414 -58 -531 -539 -208 -490 -403 -303 -237 -101 -118 296 -193 -363 794 1497 1734 930 533 565 118 715 128 -487 100 -316 -62 -176 -494 -976 137 73 278 -835 -1215 -298 262 -670 262 -197 88 -396 343 -314 -721 38 240 381 125 589 286 -283 -826 853 -163 -948 -499 -56 -574 89 -95 -234 2403 302 -988 -1085 -772 -359 -215 18 -713 -690 -90 351 138 -67 122 -726 -329 -120 651 -624 82 400 1052 1017 1187 303 903 999 756 2059 1581 1685 -304 -342 -397 -498 -96 -159 92 877 -177 237 35 -561 -625 -567 -985 -997 -1164 -1396 -2351 -1754 -317 -626 1091 175 1265 1311 203 235 607 32 -392 33 84 -611 81 162 -748 -841 -160 166 -1671 -1469 -1430 101 1495 521 740 1298 650 -85 -717 -704 -278 -696 -614 -480 -376 -157 -176 419 -261 -467 986 1932 2399 1376 822 887 192 1217 232 -918 191 -617 -119 -327 -884 -1701 SS 20230119T185619.4Z 8419.789113 278 1 5.92 2 63.93 202.43 84.82 225.63 0.00 1 0.00 1 0 25 1.622e-02 6.553e-03 1.210e-02 2.983e-03 2.891713e-01 1.506821e-03 3.548214e-03 -6.000000e+00 9.269645e-03 223.84 -2.00 3.49 -2.00 317.81 0.00e+00 7.770619e-04 2.427221e-04 1.209975e-04 -6.000000e+00 3.998668e-04 274.10 -2.00 20.00 -2.00 317.25 0.00e+00 2.262 0.000 302.00 328.00 3 2.2794e+00 3.9799e-03 2.6305e-02 -6.0000e+00 2.2891e-02 2.8530e-02 4.4844e-03 1.4833e-02 -6.0000e+00 2.4909e-02 -4.0350e-03 2.8407e-03 7.3745e-03 -6.0000e+00 1.4804e-02 -4.9858e-03 1.4514e-03 2.2192e-03 -6.0000e+00 6.3293e-03 4.2769e-03 -5.1745e-04 8.8117e-05 2.6455e-05 -6.0000e+00 4.5127e-04 -1.6600e-02 0.0000e+00 12 9 1 12 1 1 99.97 18.50 0.31 -0.01660 -0.02049 24 61 1 5 0 229.540 21.88 15.00 18.50 19.22 24.3 1019.14 -3358 -1623 -3192 -6401 -6451 -3847 -3580 -4029 -3221 -5335 -5613 -4407 -2823 -1327 671 -1254 -113 1693 1944 1032 1065 -139 1352 1357 -192 -451 -735 -1917 -913 -329 570 478 1019 -1817 -3308 -2179 -2696 -1389 -356 -997 -546 -780 -140 324 676 251 -124 -428 -347 493 1133 608 697 787 1008 1642 1314 375 848 1112 1341 1479 1807 1783 57 -631 -876 -667 329 350 421 392 433 402 303 184 -444 -935 -569 -1070 -1032 -1888 -2168 -1861 -1053 -487 -44 111 372 719 187 -189 -325 -22 -200 139 623 864 -42 -265 -822 -547 -120 -40 -822 -564 -635 -108 364 416 256 301 561 261 53 47 -115 -95 -355 -657 -288 157 294 278 334 -378 971 1220 1019 736 349 396 364 278 -90 -213 -119 -380 -149 -254 -362 -722 -249 -130 -291 -560 -506 -286 -284 -360 -316 -559 -588 -479 -345 -185 105 -221 -21 318 380 211 220 -29 286 304 -46 -112 -181 -448 -199 -72 134 122 281 -519 -901 -591 -816 -488 -148 -439 -259 -387 -71 164 341 127 -62 -210 -169 243 593 343 416 494 649 1073 872 249 548 720 906 1084 1434 1487 47 -484 -638 -487 261 286 370 354 384 339 256 139 -311 -651 -430 -922 -913 -1843 -2244 -2029 -1223 -552 -52 134 440 866 208 -192 -311 -21 -211 163 746 1129 -57 -345 -995 -660 -141 -50 -1032 -741 -876 -156 555 629 403 468 887 382 72 61 -155 -135 -546 -1055 -461 245 442 397 455 -492 1220 1605 1450 1118 555 597 566 456 -157 -385 -219 -714 -274 -451 -621 -1202 SS 20230119T190019.0Z 8419.791887 281 1 25.88 2 64.22 203.42 85.34 226.30 0.00 1 0.00 1 0 25 1.433e-02 6.270e-03 4.808e-03 1.092e-03 2.924933e-01 5.483792e-04 3.566676e-03 -6.000000e+00 8.194146e-03 223.84 -2.00 3.49 -2.00 317.98 0.00e+00 8.939805e-04 9.323830e-05 1.699327e-04 -6.000000e+00 3.534806e-04 274.10 -2.00 20.00 -2.00 317.42 0.00e+00 2.286 0.000 302.00 328.00 3 1.7265e+00 1.4550e-03 2.6568e-02 -6.0000e+00 2.0235e-02 1.9279e-02 1.6432e-03 1.4981e-02 -6.0000e+00 2.2019e-02 -3.5075e-03 1.0531e-03 7.4524e-03 -6.0000e+00 1.3087e-02 -4.8272e-03 5.4286e-04 2.2853e-03 -6.0000e+00 5.5949e-03 7.2616e-03 -5.1960e-04 3.2366e-05 2.6718e-05 -6.0000e+00 3.9893e-04 -1.6417e-02 0.0000e+00 12 1 1 12 1 1 99.97 18.51 0.31 -0.01642 -0.02032 229 126 1 5 0 111.780 21.88 15.00 18.51 19.73 24.3 1023.72 -1733 -2255 -2482 -5907 -5453 -3595 -3772 -1867 -2698 -3138 -5561 -2767 -2155 -1022 -810 -634 -172 615 773 1270 581 429 1623 767 362 -220 -686 -1943 -890 281 568 962 1123 -2164 -3872 -3317 -2577 -1527 -562 -771 -1161 -676 -414 101 407 94 2 47 -493 533 775 769 1076 848 1100 1378 1149 313 839 932 1188 1687 1872 1329 -44 -432 -732 -489 423 89 378 401 460 818 239 186 -463 -740 -587 -1010 -1007 -1814 -2343 -1514 -947 -519 88 275 554 541 400 -264 -171 -64 -39 -166 827 588 -17 -278 -664 -737 68 -94 -975 -570 -586 -175 419 344 110 242 532 144 57 86 -213 -299 -365 -388 -313 -85 223 277 318 -221 965 1087 922 801 515 446 354 231 -112 -215 -12 -338 -359 -11 -456 -729 -117 -167 -189 -476 -392 -247 -278 -151 -244 -298 -539 -275 -243 -133 -121 -104 -29 109 143 242 113 83 321 162 81 -51 -158 -426 -183 58 126 231 292 -587 -1004 -861 -738 -509 -223 -321 -525 -318 -199 49 196 45 1 22 -229 251 389 414 612 509 676 863 730 198 519 578 770 1182 1424 1068 -35 -318 -512 -343 323 77 349 349 429 722 194 136 -313 -497 -429 -841 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