File name: Pandora206s1_BuffaloNY_20240501_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T081304.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20240501_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20240501 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: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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 20240501T130105.6Z 8887.542426 193 1 24.01 2 59.81 97.15 68.04 200.31 0.00 1 0.00 1 0 17 4.037e-01 2.926e-02 2.683e-01 2.414e-02 3.264866e-01 1.209420e-02 4.041218e-03 -6.000000e+00 2.277842e-01 229.75 -2.00 3.55 -2.00 318.75 0.00e+00 -3.368716e-03 2.585946e-03 6.459033e-04 -6.000000e+00 1.004560e-02 279.83 -2.00 20.00 -2.00 318.07 0.00e+00 1.980 0.000 302.00 328.00 3 8.1537e+00 3.3338e-02 2.6237e-02 -6.0000e+00 5.6910e-01 8.5913e-03 3.8343e-02 1.7418e-02 -6.0000e+00 6.1837e-01 1.2456e-01 2.7583e-02 9.3507e-03 -6.0000e+00 3.6680e-01 -5.8341e-02 1.4555e-02 3.9996e-03 -6.0000e+00 1.5506e-01 1.3671e-05 -1.7107e-03 6.8416e-04 3.5416e-05 -6.0000e+00 1.0414e-02 -1.6722e-02 -1.2474e-04 12 9 8 11 8 0 -56.42 18.28 -1.53 -0.01672 -0.02958 6 6 2 8 0 4000.000 15.00 18.28 19.95 21.69 21.69 21.7 1031.39 69097 116636 -85643 137764 900000 149377 169682 174014 32099 249516 89001 88672 48253 60803 23197 -1090 37490 15010 9693 18928 32637 23457 19802 4064 8620 -18782 -7252 10779 -10542 16926 -2023 9950 -3991 10683 26303 4147 -9384 10881 12366 -5604 13835 -703 -2240 -2188 -7585 -408 -12867 -14204 504 7291 -754 -6782 -1591 -1442 4730 -3016 -376 -3989 4393 -8253 -6681 3292 -4397 2373 -3742 4831 1459 22209 1080 -1784 4249 -217 202 2417 3667 925 5892 545 1084 -4456 -3794 4793 -3397 311 3207 553 -1151 1423 -3332 -741 1224 -839 4779 -1254 5061 -1046 3302 199 623 -586 579 -341 -344 -1730 3063 -1804 358 1529 -2057 -901 1177 755 -5360 2213 -772 1595 -487 -3863 -1940 195 1665 -1498 581 -1480 2445 145 825 3283 2062 -3204 3446 -2 -1344 211 -738 383 -824 899 1101 912 1390 -2012 -1268 1627 4393 -7759 4216 900000 3517 3995 4096 1251 5874 2328 2397 2007 2576 1603 -105 2676 1369 984 1838 2949 2243 2054 544 1192 -3524 -1275 1483 -1644 2044 -310 1471 -752 1839 3715 689 -1988 2209 3039 -1923 4342 -268 -898 -883 -3203 -161 -5645 -6191 194 2650 -319 -3212 -762 -737 2379 -1685 -211 -2322 2362 -4804 -4040 1937 -2964 1618 -2734 3074 901 10930 699 -1326 3280 -183 170 1965 2730 632 3459 321 666 -3305 -3156 4079 -3267 310 3232 615 -1367 1697 -4183 -870 1335 -855 4229 -1142 4617 -1127 3797 257 850 -791 745 -406 -380 -1994 3686 -2393 485 2150 -3058 -1421 1936 1269 -9253 3410 -1123 2118 -659 -5624 -2967 311 2651 -2408 891 -2214 3322 192 1061 4143 2853 -4865 5184 -4 -2232 358 -1349 727 -1568 1720 2179 1744 2536 -3645 -2214 SS 20240501T140330.3Z 8887.585767 234 1 10.11 2 48.71 109.73 72.94 214.32 0.00 1 0.00 1 0 17 1.323e-02 7.820e-03 1.183e-02 5.223e-03 2.246584e-01 2.616128e-03 2.731232e-03 -6.000000e+00 7.463039e-03 229.75 -2.00 3.55 -2.00 316.49 0.00e+00 3.031632e-04 3.023956e-04 4.638191e-05 -6.000000e+00 3.234475e-04 279.83 -2.00 20.00 -2.00 315.82 0.00e+00 1.513 0.000 302.00 328.00 3 5.9097e+00 6.8497e-03 1.9004e-02 -6.0000e+00 1.8658e-02 -5.8242e-03 7.6631e-03 1.1733e-02 -6.0000e+00 2.0266e-02 1.2845e-02 4.4620e-03 5.7398e-03 -6.0000e+00 1.2030e-02 -7.0389e-03 2.1048e-03 1.6033e-03 -6.0000e+00 5.0853e-03 2.5055e-04 1.3144e-04 1.4271e-04 1.7766e-05 -6.0000e+00 3.3738e-04 -1.5660e-02 1.2928e-04 12 9 1 12 1 1 999.00 18.27 0.24 -0.01566 -0.01467 2 8 2 8 0 3369.080 15.00 18.27 21.22 21.69 21.69 21.9 1041.90 -6510 718 -3596 -1391 -1244 -2520 393 1677 2712 -1720 -1525 -1587 -1531 195 1492 -1433 2578 511 -1202 -150 3091 -204 1553 1409 -701 -279 -154 -527 -3053 3297 -40 3107 845 729 -2739 -458 -2430 -911 494 61 -351 -1515 -156 -1427 1053 -1027 -390 -2060 -1451 -695 1923 879 373 1489 135 1457 342 1327 -112 1161 396 2096 630 1882 38 -1094 -29 -937 981 394 1565 1051 160 558 960 -136 153 -3283 -552 -1002 -846 -178 -1824 -921 -1351 -1349 -1349 -39 -144 500 834 -128 369 -62 266 512 427 694 342 -243 -567 -89 -478 -580 -167 -1422 -13 -355 -356 172 -157 427 177 130 207 534 -576 87 -141 403 297 -429 360 307 442 816 528 1431 1046 350 964 -415 56 -606 106 -137 -74 -101 -229 -388 -263 -52 -706 -1132 127 -681 -241 -192 -375 60 283 508 -347 -307 -321 -336 48 398 -434 772 161 -400 -51 1042 -70 532 498 -264 -109 -60 -199 -1080 1102 -14 1137 334 299 -1093 -173 -1003 -427 261 37 -228 -1006 -106 -984 721 -700 -264 -1375 -937 -453 1259 622 272 1133 105 1129 274 1046 -87 911 315 1723 557 1715 35 -965 -24 -754 818 361 1521 1048 161 551 898 -117 124 -2598 -443 -891 -802 -181 -1963 -1000 -1552 -1633 -1684 -49 -181 611 971 -140 381 -63 279 566 512 888 454 -316 -708 -107 -549 -682 -211 -1868 -18 -486 -499 250 -236 644 261 184 272 681 -744 114 -197 576 434 -624 518 430 595 1065 666 1796 1384 476 1368 -599 81 -902 164 -220 -118 -166 -375 -627 -417 -80 -1083 SS 20240501T140807.4Z 8887.588975 236 1 3.05 2 47.92 110.77 73.39 215.30 0.00 1 0.00 1 0 17 9.444e-03 6.471e-03 6.649e-03 3.032e-03 2.216110e-01 1.515398e-03 2.696158e-03 -6.000000e+00 5.326536e-03 229.75 -2.00 3.55 -2.00 316.43 0.00e+00 6.030044e-04 1.737136e-04 6.605493e-05 -6.000000e+00 2.308325e-04 279.83 -2.00 20.00 -2.00 315.77 0.00e+00 1.490 0.000 302.00 328.00 3 3.9220e+00 3.9677e-03 1.8729e-02 -6.0000e+00 1.3317e-02 -9.8481e-03 4.4383e-03 1.1605e-02 -6.0000e+00 1.4464e-02 1.3009e-03 2.5766e-03 5.6678e-03 -6.0000e+00 8.5863e-03 -9.8234e-04 1.2099e-03 1.6497e-03 -6.0000e+00 3.6294e-03 1.8889e-03 2.4911e-04 8.2681e-05 1.7882e-05 -6.0000e+00 2.4077e-04 -1.4741e-02 1.6942e-04 12 9 1 12 1 1 99.24 18.26 0.25 -0.01474 -0.01287 6 62 4 8 0 434.290 14.99 18.26 21.80 21.69 21.69 22.2 1046.72 -1192 -1152 -1058 -920 -4575 -1850 -2580 344 -68 -840 -2313 -1428 -754 -1066 259 102 -258 34 871 537 969 -218 451 287 412 761 -100 -1086 -221 1252 896 1413 1951 71 -2654 -1586 -1657 -130 -177 -10 -1049 -1057 -756 993 -150 -335 -561 -1065 -422 -71 1270 588 978 901 1365 1120 385 932 104 975 920 1190 1347 1502 -249 -420 -199 -890 543 336 309 149 439 631 -966 107 -387 -823 -250 -542 -1257 -1203 -2395 -1582 -1331 -696 1 -141 323 192 559 177 224 864 233 268 687 403 423 -166 -138 -384 -628 168 -1273 -53 -557 -1056 -440 298 226 -76 55 179 119 128 -139 298 -132 273 52 -205 301 304 549 635 689 1295 841 714 331 193 -13 -28 41 -245 -50 -33 -243 -302 -11 -626 -750 -209 -220 -208 -168 -750 -300 -417 60 -13 -176 -475 -292 -171 -276 75 33 -80 11 284 182 334 -74 156 105 157 300 -40 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