File name: Pandora32s1_GreenbeltMD_20231005_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231006T230642.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20231005_L1_smca1c12d20221109p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20231005 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 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0059 305.1469 305.2878 305.4288 305.5697 305.7106 305.8515 305.9924 306.1333 306.2742 306.4150 306.5559 306.6967 306.8375 306.9783 307.1191 307.2599 307.4007 307.5415 307.6822 307.8230 307.9637 308.1044 308.2451 308.3858 308.5265 308.6672 308.8079 308.9485 309.0892 309.2298 309.3704 309.5110 309.6516 309.7922 309.9328 310.0733 310.2139 310.3544 310.4950 310.6355 310.7760 310.9165 311.0570 311.1974 311.3379 311.4784 311.6188 311.7592 311.8996 312.0400 312.1804 312.3208 312.4612 312.6015 312.7419 312.8822 313.0226 313.1629 313.3032 313.4435 313.5837 313.7240 313.8643 314.0045 314.1447 314.2849 314.4252 314.5654 314.7055 314.8457 314.9859 315.1260 315.2662 315.4063 315.5464 315.6865 315.8266 315.9667 316.1068 316.2468 316.3869 316.5269 316.6669 316.8070 316.9470 317.0869 317.2269 317.3669 317.5069 317.6468 317.7867 317.9266 318.0666 318.2065 318.3463 318.4862 318.6261 318.7659 318.9058 319.0456 319.1854 319.3252 319.4650 319.6048 319.7446 319.8843 320.0241 320.1638 320.3035 320.4432 320.5829 320.7226 320.8623 321.0020 321.1416 321.2813 321.4209 321.5605 321.7001 321.8397 321.9793 322.1189 322.2584 322.3980 322.5375 322.6770 322.8165 322.9560 323.0955 323.2350 323.3745 323.5139 323.6534 323.7928 323.9322 324.0716 324.2110 324.3504 324.4898 324.6291 324.7685 324.9078 --------------------------------------------------------------------------------------- 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 20231005T130550.3Z 8678.545722 288 1 41.89 2 68.66 115.53 37.76 266.60 0.00 1 0.00 1 0 25 4.140e-02 6.926e-03 2.164e-02 3.973e-03 3.221452e-01 1.998073e-03 3.806022e-03 -6.000000e+00 2.362750e-02 227.23 -2.00 3.47 -2.00 318.22 0.00e+00 1.543248e-03 3.779655e-04 1.427481e-04 -6.000000e+00 1.058173e-03 286.41 -2.00 20.00 -2.00 317.44 0.00e+00 2.723 0.000 302.00 328.00 3 5.1834e+00 5.3824e-03 3.1520e-02 -6.0000e+00 5.8574e-02 3.7229e-02 6.1271e-03 1.6553e-02 -6.0000e+00 6.3480e-02 3.9314e-03 3.9837e-03 8.1626e-03 -6.0000e+00 3.7928e-02 -6.1677e-03 2.0706e-03 2.6643e-03 -6.0000e+00 1.6277e-02 1.3436e-04 2.8798e-04 1.1346e-04 2.6893e-05 -6.0000e+00 1.1023e-03 4.0011e-03 9.1596e-05 12 9 1 12 1 1 99.97 21.68 0.78 0.00400 0.00617 10 3 1 5 0 3807.800 26.21 20.01 21.68 22.34 3.5 981.27 23941 -10986 -5936 -4253 1253 -28597 6297 822 -7489 1392 -9788 -14034 -2854 -1834 4731 1344 -2549 1999 -1087 3047 -1020 -2358 3997 873 2719 1032 1471 -1826 1545 -1301 232 -3533 10904 -183 -5015 -5204 -4250 -3396 -2429 2075 -929 530 889 1446 437 1489 1340 1002 -41 1801 58 -221 499 -17 -146 390 -609 -601 247 -516 1038 442 1700 452 3 398 675 23 -67 1382 -579 -436 96 973 -123 -324 51 -1468 -2068 -1198 -2009 -45 -1225 -1228 -153 -412 705 -112 340 974 576 -345 484 -480 564 510 -170 802 1138 20 -294 -1286 -694 -747 -1344 -976 -130 -23 282 -7 962 -60 237 105 64 -152 211 57 49 -286 -210 -35 1055 -294 231 9 -81 85 501 9 245 324 -307 401 -165 -26 11 -362 379 -213 85 -90 -502 1010 -739 -404 -280 71 -2000 324 49 -550 101 -802 -1212 -247 -184 520 173 -367 289 -170 478 -172 -403 647 152 497 201 290 -360 279 -236 44 -756 2253 -44 -1237 -1227 -1038 -938 -787 755 -384 229 396 655 201 682 613 454 -19 808 27 -113 269 -10 -86 235 -377 -374 150 -313 632 285 1172 337 2 294 467 16 -47 1054 -489 -385 85 839 -102 -250 36 -997 -1439 -910 -1705 -41 -1200 -1249 -162 -460 816 -135 410 1149 651 -368 480 -465 559 546 -199 1008 1516 27 -386 -1591 -810 -876 -1669 -1270 -174 -32 404 -10 1507 -97 378 161 93 -212 289 80 72 -440 -330 -54 1608 -441 335 13 -111 114 701 13 381 517 -498 665 -286 -46 20 -673 708 -395 154 -158 -867 SS 20231005T134048.9Z 8678.570010 306 1 36.54 2 62.73 122.53 44.38 272.01 0.00 1 0.00 1 0 17 1.352e-02 5.958e-03 6.975e-03 2.461e-03 2.628207e-01 1.240987e-03 3.132422e-03 -6.000000e+00 7.716326e-03 227.22 -2.00 3.47 -2.00 317.00 0.00e+00 4.065804e-04 1.685018e-04 1.139183e-04 -6.000000e+00 3.455479e-04 286.40 -2.00 20.00 -2.00 316.22 0.00e+00 2.170 0.000 302.00 328.00 3 4.9356e+00 3.2562e-03 2.5261e-02 -6.0000e+00 1.9129e-02 3.3533e-02 3.6579e-03 1.3368e-02 -6.0000e+00 2.0731e-02 2.5506e-03 2.1725e-03 6.5563e-03 -6.0000e+00 1.2386e-02 -5.1060e-03 1.0653e-03 1.8583e-03 -6.0000e+00 5.3163e-03 3.2227e-04 3.5767e-04 6.9651e-05 2.0643e-05 -6.0000e+00 3.5995e-04 2.7028e-03 7.1328e-05 12 1 1 12 1 1 99.93 21.85 0.28 0.00270 0.00539 13 4 1 5 0 2609.820 26.32 20.00 21.85 24.40 3.5 992.25 1704 -2299 -1431 -3740 -5197 -7351 -1878 -895 -153 -1131 -1269 -3696 2059 -744 1072 -271 -1232 1303 1842 2561 323 -968 2601 1446 684 -498 503 -200 -349 -1344 325 1814 3503 -489 -3527 -3467 -2439 -1633 -960 -103 -957 -544 -127 -392 354 76 -34 269 -840 -406 751 342 587 1252 910 253 194 -56 631 743 1688 1365 1623 1425 231 -416 486 -559 764 900 -260 117 62 385 -43 -765 -780 -1512 -575 -1239 -1239 -1188 -1307 -1498 -758 -523 88 354 211 122 471 139 197 342 311 142 351 375 792 -220 -253 -740 -669 -61 -564 -1240 -716 -244 182 145 163 448 235 219 164 127 573 89 466 -266 -234 -58 179 347 547 391 76 710 132 370 486 -463 -373 3 71 26 -268 -196 217 138 -100 -232 -579 195 -307 -198 -515 -658 -877 -217 -114 -22 -173 -196 -582 333 -141 226 -64 -310 331 484 691 91 -277 724 423 213 -163 165 -64 -105 -394 97 571 1174 -178 -1273 -1194 -865 -647 -439 -54 -547 -325 -78 -243 219 47 -21 162 -503 -241 455 220 395 873 655 186 145 -42 467 543 1244 1053 1330 1232 205 -358 389 -436 606 776 -244 114 61 371 -40 -668 -630 -1167 -444 -1038 -1134 -1169 -1357 -1607 -843 -609 106 439 264 150 555 155 206 344 321 156 413 472 1044 -294 -327 -908 -784 -72 -698 -1611 -956 -333 256 211 248 689 358 322 228 169 749 119 649 -389 -350 -87 263 497 761 529 99 915 177 519 706 -691 -562 4 112 43 -450 -333 371 234 -166 -377 -927 SS 20231005T134619.1Z 8678.573833 309 1 49.10 2 61.83 123.71 45.42 272.80 0.00 1 0.00 1 0 25 2.921e-02 9.017e-03 1.384e-02 4.282e-03 2.578794e-01 2.151552e-03 3.044250e-03 -6.000000e+00 1.667060e-02 227.22 -2.00 3.47 -2.00 317.37 0.00e+00 8.249893e-04 3.206329e-04 1.564569e-04 -6.000000e+00 7.464676e-04 286.40 -2.00 20.00 -2.00 316.58 0.00e+00 2.108 0.000 302.00 328.00 3 6.1126e+00 5.6799e-03 2.4584e-02 -6.0000e+00 4.1327e-02 6.0208e-02 6.4034e-03 1.3073e-02 -6.0000e+00 4.4786e-02 2.1472e-03 3.8562e-03 6.4227e-03 -6.0000e+00 2.6759e-02 -5.6111e-03 1.9185e-03 1.8958e-03 -6.0000e+00 1.1486e-02 1.0482e-04 5.8214e-04 1.2230e-04 1.9948e-05 -6.0000e+00 7.7757e-04 2.4440e-03 8.1802e-05 11 9 0 11 32 0 99.98 21.88 0.33 0.00244 0.00682 13 3 1 5 0 3776.670 26.32 20.00 21.88 24.84 3.5 995.41 11867 -3580 -2297 -6230 44 -21340 2449 6412 -225 -1530 -4154 -4319 -696 -3680 1379 -3641 123 -2008 3869 9625 -414 -2400 -10 -1499 -1136 612 4382 -3441 2017 -3056 -1360 -1019 7073 -1893 -4127 -3692 -5222 -2801 -2115 -2087 -569 -306 3446 946 614 2143 1537 3245 -1275 2175 -680 2162 1114 17 1122 -958 775 -494 499 210 1075 434 805 1490 889 -150 -644 196 -696 771 -745 -291 477 594 547 -652 -1694 -704 -1211 -1269 -1466 -1044 -1759 -1914 -279 133 252 240 508 763 625 -1021 -490 -1224 911 -909 788 702 1207 293 -169 -1835 -716 -550 -765 -348 -519 -55 -301 211 54 638 -54 -267 775 187 -29 -142 710 -315 -3 1122 1003 -45 207 180 -73 559 -73 671 316 -1308 -225 221 123 304 -307 -490 876 492 -348 -443 -976 1080 -424 -281 -768 5 -2524 236 658 -28 -203 -568 -591 -100 -621 253 -779 27 -463 880 2147 -104 -614 -3 -397 -316 175 1227 -995 521 -797 -360 -290 2025 -618 -1326 -1124 -1678 -999 -884 -1012 -300 -169 1896 540 352 1214 869 1767 -709 1166 -386 1275 699 11 761 -673 547 -352 349 145 751 320 637 1245 761 -123 -495 143 -529 638 -681 -277 456 555 488 -544 -1301 -506 -882 -1011 -1293 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