File name: Pandora159s1_Wakkerstroom_20240607_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20240607T220624.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Refilwe Kai Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20240607_L1_smca1c3d20201207p1-8.txt Full location name: Global Change Institute, University of Witwatersrand field site in Wakkerstroom Short location name: Wakkerstroom Country of location: South Africa Location latitude [deg]: -27.3493 Location longitude [deg]: 30.1438 Location altitude [m]: 1760 Local noon date: 20240607 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0731 305.2139 305.3547 305.4955 305.6363 305.7770 305.9178 306.0585 306.1992 306.3399 306.4806 306.6213 306.7620 306.9026 307.0433 307.1839 307.3246 307.4652 307.6058 307.7464 307.8869 308.0275 308.1681 308.3086 308.4492 308.5897 308.7302 308.8707 309.0112 309.1517 309.2921 309.4326 309.5730 309.7135 309.8539 309.9943 310.1347 310.2751 310.4155 310.5558 310.6962 310.8365 310.9769 311.1172 311.2575 311.3978 311.5381 311.6784 311.8186 311.9589 312.0991 312.2393 312.3795 312.5198 312.6599 312.8001 312.9403 313.0805 313.2206 313.3607 313.5009 313.6410 313.7811 313.9212 314.0612 314.2013 314.3414 314.4814 314.6214 314.7615 314.9015 315.0415 315.1814 315.3214 315.4614 315.6013 315.7413 315.8812 316.0211 316.1610 316.3009 316.4408 316.5807 316.7205 316.8604 317.0002 317.1400 317.2798 317.4196 317.5594 317.6992 317.8389 317.9787 318.1184 318.2582 318.3979 318.5376 318.6773 318.8170 318.9566 319.0963 319.2359 319.3756 319.5152 319.6548 319.7944 319.9340 320.0736 320.2131 320.3527 320.4922 320.6318 320.7713 320.9108 321.0503 321.1898 321.3292 321.4687 321.6081 321.7476 321.8870 322.0264 322.1658 322.3052 322.4446 322.5839 322.7233 322.8626 323.0019 323.1413 323.2806 323.4199 323.5591 323.6984 323.8377 323.9769 324.1162 324.2554 324.3946 324.5338 324.6730 324.8121 324.9513 --------------------------------------------------------------------------------------- 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: 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 77: 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 78: 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 79: 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 80: 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 81: 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 82: Atmospheric variability [%], 999=no atmospheric variability was determined Column 83: Wavelength effective temperature [°C], 999=no effective temperature given Column 84: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 85: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 86: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 87: Number of bright count cycles Column 88: Number of dark count cycles Column 89: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 90: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 91: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 92: Integration time [ms] Column 93: Spectrometer control temperature [°C], 999=no temperature signal Column 94: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 95: Temperature in head sensor [°C], 999=no temperature signal Column 96: Temperature at electronics board 1 [°C], 999=no temperature signal Column 97: Temperature at electronics board 2 [°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 20240607T051136.2Z 8924.216391 45 1 49.43 2 85.46 61.40 96.47 61.03 0.00 1 0.00 1 0 25 6.769e-01 2.914e-02 4.847e-01 2.105e-02 9.457614e-01 1.262399e-02 8.874949e-03 -6.000000e+00 3.922955e-01 224.69 -2.00 3.06 -2.00 322.50 0.00e+00 2.501587e-03 7.565135e-03 5.342540e-03 -6.000000e+00 2.032146e-02 277.63 -2.00 20.00 -2.00 322.07 0.00e+00 10.590 0.007 302.00 328.00 3 -1.4521e-01 5.1287e-02 1.0153e-01 -6.0000e+00 9.7693e-01 1.2420e+00 7.2724e-02 6.4265e-02 -6.0000e+00 1.0746e+00 -1.6428e+00 6.6583e-02 3.3266e-02 -6.0000e+00 6.3395e-01 6.6043e-01 3.0592e-02 9.0370e-03 -6.0000e+00 2.6998e-01 4.5231e-05 -2.0766e-03 6.0326e-04 1.3958e-04 -6.0000e+00 1.9367e-02 1.3021e-02 12 8 8 10 0 0 11.87 18.31 0.65 0.01302 -0.00258 61 13 4 8 0 810.150 14.99 18.31 9.09 20.77 20.67 25.6 797.11 -9136 900000 900000 900000 900000 -27245 900000 -128376 104414 -190077 900000 22968 900000 -56823 3251 900000 46614 900000 -9342 900000 39478 900000 -3740 9350 -47372 21279 9103 396737 155577 900000 900000 150529 900000 -49203 900000 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543 126 -574 2235 -1504 2644 -1564 973 -115 586 3895 -2547 4099 -3807 1121 -1933 489 -847 3777 -571 -2594 -1272 -1756 -2575 -5263 2766 -3575 -581 -3697 -534 -5879 -315 -2776 2931 -1818 -3423 -324 783 1055 -2426 98 -2572 2529 -2608 1751 3143 2404 4207 2098 3110 3774 598 -1815 -168 1016 4304 -600 231 -55 1927 928 87 -1831 -759 911 -3974 -2052 SS 20240607T052600.9Z 8924.226399 48 1 49.42 2 82.68 59.58 93.81 59.54 0.00 1 0.00 1 0 25 4.704e-01 6.879e-03 2.383e-01 2.774e-03 7.383819e-01 1.516340e-03 7.097790e-03 -6.000000e+00 2.652191e-01 224.69 -2.00 3.06 -2.00 321.73 0.00e+00 4.637856e-03 8.057201e-04 3.058208e-03 -6.000000e+00 1.214094e-02 277.63 -2.00 20.00 -2.00 321.25 0.00e+00 7.270 0.002 302.00 328.00 3 -1.4040e-01 5.4041e-03 7.1188e-02 -6.0000e+00 6.5602e-01 1.1089e-01 8.2401e-03 4.5962e-02 -6.0000e+00 7.1591e-01 -8.0229e-02 9.3693e-03 2.0053e-02 -6.0000e+00 4.2418e-01 1.9736e-02 4.3354e-03 8.2457e-03 -6.0000e+00 1.7991e-01 8.0116e-04 -1.0847e-03 7.7416e-05 7.7507e-05 -6.0000e+00 1.2604e-02 1.1848e-02 11 8 0 10 0 0 9.63 18.31 0.26 0.01185 0.00370 301 65 2 8 0 164.120 15.00 18.31 10.56 20.77 20.67 25.6 804.66 -87824 -216461 -42892 -230339 -120689 900000 -169716 -106097 -142644 900000 -195355 -89711 -142766 -8548 -118441 -21707 -84828 25729 -66921 -43062 -32795 -50482 36020 -62360 -25773 -25955 -19781 -49604 2195 -39595 -4803 -9982 -3246 -16384 -11461 -5695 -24765 2979 -12647 6829 -15276 3097 -3635 8635 -1497 1729 1022 2193 8613 1106 8466 2723 7386 -1993 6172 3525 3054 1180 1200 2476 4275 2939 2329 5291 1186 3201 1160 3801 2812 2148 -590 -572 574 -21 953 -921 486 -135 1922 -1558 440 -1953 -1403 -1507 -1149 -1398 -1045 -786 -846 24 222 1013 235 1590 -83 625 535 378 -656 9 232 -257 1385 130 -1705 -1094 1760 -1032 -121 -632 -287 -518 48 236 635 1261 715 470 -369 -409 -649 201 -345 -449 210 69 1299 1224 233 -20 56 15 244 201 -332 -486 214 -78 -452 -167 93 216 266 -238 -1384 -116 -1812 -326 900000 -826 -316 -694 900000 -1729 -364 -1193 -28 -1369 -129 -1001 125 -823 -445 -346 -583 205 -951 -328 -351 -257 -780 23 -652 -77 -189 -68 -419 -270 -127 -749 83 -510 272 -860 158 -210 456 -90 104 65 145 572 87 699 270 777 -252 768 472 423 166 163 329 582 455 421 1059 263 688 255 855 720 588 -183 -184 179 -6 273 -242 119 -35 559 -519 170 -886 -695 -794 -644 -836 -655 -504 -539 14 125 533 122 856 -52 456 457 373 -711 10 231 -229 1105 106 -1526 -1028 1699 -1104 -143 -850 -431 -828 77 365 927 1761 1017 704 -591 -675 -1051 309 -511 -645 289 91 1654 1653 365 -36 111 32 544 480 -854 -1213 542 -201 -1159 -442 229 497 593 SS 20240607T053314.9Z 8924.231423 51 1 50.27 2 81.30 58.63 92.49 58.77 0.00 1 0.00 1 0 25 3.063e-01 5.920e-03 8.870e-02 1.538e-03 6.499868e-01 8.151900e-04 6.434879e-03 -6.000000e+00 1.716814e-01 224.69 -2.00 3.06 -2.00 321.23 0.00e+00 3.433728e-03 3.823324e-04 2.111276e-03 -6.000000e+00 7.543506e-03 277.63 -2.00 20.00 -2.00 320.71 0.00e+00 6.256 0.001 302.00 328.00 3 -1.7217e-01 2.6971e-03 6.0247e-02 -6.0000e+00 4.2434e-01 7.5247e-02 3.7729e-03 3.5739e-02 -6.0000e+00 4.6275e-01 -3.9952e-02 4.0654e-03 1.6186e-02 -6.0000e+00 2.7547e-01 3.5799e-03 1.9466e-03 6.4020e-03 -6.0000e+00 1.1701e-01 1.9704e-03 -1.0767e-03 4.2987e-05 6.1147e-05 -6.0000e+00 8.1877e-03 1.1866e-02 10 0 0 10 0 0 9.75 18.31 0.27 0.01187 0.00378 480 103 2 8 0 102.780 15.00 18.31 11.35 20.77 20.67 25.7 807.71 -126080 -133017 -88008 -96517 -103781 -70413 -105400 -80096 -99021 -70230 -106816 -73159 -60645 -16304 -36740 -41652 -18630 -20652 -13011 -25349 -13776 -14758 -19510 -24416 -15749 -21916 -15196 -21109 -11987 -12799 -15405 -3917 -3755 -2242 -3905 -996 -6650 796 -4310 30 -3254 -1193 1097 -1607 1155 -838 2364 1352 2525 2136 2974 3320 3971 2279 2018 1833 29 275 1363 1809 1183 2067 2020 1552 -67 2224 742 1926 1561 297 801 -321 -172 -278 -515 -250 -403 68 487 -358 -179 -896 -2024 -1130 -942 -1002 -441 -378 -365 -34 771 630 1126 1529 929 340 837 387 -432 -316 70 141 979 339 -1553 -885 -959 -564 -207 -156 -359 -235 36 415 628 1260 665 490 -304 -822 -703 -146 -206 -155 412 10 1360 1357 372 110 90 8 130 195 -343 -484 138 -321 -506 2 87 130 413 -719 -958 -436 -507 -545 -264 -617 -420 -713 -411 -961 -549 -518 -117 -413 -593 -240 -304 -193 -452 -225 -246 -360 -520 -335 -526 -346 -500 -261 -309 -462 -127 -128 -80 -137 -34 -268 36 -254 2 -255 -99 94 -145 104 -79 222 134 260 239 369 462 605 384 362 344 6 54 255 334 229 441 494 429 -20 626 209 558 507 113 333 -140 -74 -112 -189 -82 -125 21 174 -154 -90 -516 -1287 -755 -671 -762 -322 -282 -296 -26 551 422 723 1016 701 299 779 413 -504 -366 76 135 932 330 -1523 -911 -1041 -653 -263 -222 -566 -390 59 657 935 1786 957 742 -492 -1388 -1170 -231 -315 -229 583 14 1770 1854 583 194 175 16 281 448 -781 -1160 335 -796 -1252 6 209 293 901 SS 20240607T054920.4Z 8924.242598 56 1 50.49 2 78.29 56.44 89.59 56.99 0.00 1 0.00 1 0 25 8.682e-02 6.141e-03 1.784e-02 6.466e-04 5.127239e-01 3.266823e-04 5.162113e-03 -6.000000e+00 4.866076e-02 224.69 -2.00 3.06 -2.00 320.36 0.00e+00 1.517152e-03 1.175701e-04 8.992221e-04 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