File name: Pandora206s1_BuffaloNY_20230114_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T050225.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- 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_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20230114_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: 20230114 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 20230114T163421.8Z 8414.690530 329 1 28.01 2 65.28 167.21 91.36 262.22 0.00 1 0.00 1 0 25 3.557e-01 2.831e-02 2.251e-01 1.987e-02 3.647113e-01 9.832810e-03 4.661657e-03 -6.000000e+00 1.982185e-01 223.44 -2.00 3.55 -2.00 318.96 0.00e+00 1.175311e-03 2.235355e-03 1.836078e-03 -6.000000e+00 9.002385e-03 272.49 -2.00 20.00 -2.00 318.43 0.00e+00 2.376 0.000 302.00 328.00 3 7.6427e+00 2.6772e-02 3.0743e-02 -6.0000e+00 4.8927e-01 1.0399e-01 3.0989e-02 2.1919e-02 -6.0000e+00 5.3557e-01 7.1371e-02 2.3991e-02 9.8883e-03 -6.0000e+00 3.1585e-01 -4.4052e-02 1.2869e-02 2.8495e-03 -6.0000e+00 1.3378e-01 1.4547e-05 -3.9812e-04 5.6252e-04 2.8652e-05 -6.0000e+00 9.3297e-03 4.0472e-03 1.1594e-04 12 8 8 10 0 0 40.77 17.56 1.89 0.00405 0.00106 7 7 2 8 0 4000.000 15.01 17.56 3.40 21.17 20.96 13.6 917.61 -1276 111814 136048 900000 312380 900000 900000 136828 -11844 -3747 20213 900000 -21750 81800 32989 30562 675 -1755 35386 17808 23514 -24921 17962 -10447 11427 -13221 -7278 37596 51441 4348 -568 2393 14920 714 11811 -11053 27 15125 5140 -6181 6843 -8140 -83 -6797 11894 -4881 -10830 -14874 8384 -2839 -6179 -781 -2883 -5994 4979 2273 4783 -2823 1880 -872 379 9661 615 1904 2340 369 -9682 1299 2593 -3240 2394 580 7888 957 4991 2320 1098 4330 -2281 -3408 -2253 -1261 -3905 -1292 670 -1526 1429 4244 -388 3345 98 -5736 2349 -2935 -1404 -1449 866 337 2664 2284 516 -42 -1523 -1407 1599 -147 -911 2769 -178 1131 2184 731 -4794 -1848 -2413 -242 -2126 556 -2852 -567 3321 -4465 315 -1729 3199 823 1440 44 -99 -1086 3650 235 290 2740 -897 -946 2949 -925 2425 1520 371 -548 -5236 -37 2166 2635 900000 6050 900000 900000 2650 -518 -162 705 900000 -1413 2324 1810 1890 60 -170 2498 1569 1998 -3394 1661 -1384 1285 -1999 -1046 3349 3753 505 -77 350 2153 124 1682 -1961 5 2702 1236 -1969 2095 -2936 -30 -2542 3812 -1866 -4351 -6170 2755 -1068 -2606 -338 -1356 -3105 2392 1146 2405 -1515 936 -442 197 4980 382 1268 1546 229 -6321 753 1609 -2448 1860 475 5924 732 3361 1428 646 2396 -1412 -2457 -1814 -1119 -3789 -1274 697 -1675 1592 4716 -450 3668 101 -5780 2022 -2641 -1353 -1565 1025 435 3536 2943 649 -48 -1657 -1597 1919 -187 -1224 3778 -257 1741 3542 1217 -8112 -2829 -3519 -326 -2945 786 -4464 -914 5145 -7278 477 -2537 4233 1100 1817 58 -138 -1649 5607 385 486 4676 -1641 -1808 5511 -1837 4638 2901 685 -976 -9565 SS 20230114T185550.4Z 8414.788778 388 1 46.42 2 67.62 203.09 116.54 286.02 0.00 1 0.00 1 0 17 2.952e-02 4.903e-03 4.858e-03 5.707e-04 3.947105e-01 2.777419e-04 4.655847e-03 -6.000000e+00 1.620516e-02 223.45 -2.00 3.55 -2.00 318.94 0.00e+00 9.298462e-04 6.253565e-05 1.520294e-04 -6.000000e+00 6.991517e-04 272.48 -2.00 20.00 -2.00 318.40 0.00e+00 2.605 0.000 302.00 328.00 3 1.9249e+00 7.5258e-04 3.2305e-02 -6.0000e+00 4.0023e-02 2.8772e-02 8.6791e-04 2.0037e-02 -6.0000e+00 4.3778e-02 -1.9101e-02 6.4509e-04 1.0093e-02 -6.0000e+00 2.6007e-02 6.5851e-04 3.4392e-04 3.1061e-03 -6.0000e+00 1.1031e-02 3.7213e-03 4.7648e-06 1.5754e-05 3.0524e-05 -6.0000e+00 7.5240e-04 5.5538e-03 1.4460e-05 10 0 0 10 0 0 99.99 17.55 0.26 0.00555 0.00559 635 196 1 8 0 72.190 15.00 17.55 3.56 21.17 20.96 13.5 919.05 -12400 -8158 -7025 -8500 -12102 -6862 -12113 -7634 -9678 -7840 -10200 -7966 -4277 -2947 -1402 -1150 -516 -1469 791 -52 662 -368 462 -488 -1121 -608 -1355 -2250 -2634 -347 201 1102 972 -371 -3144 -2860 -2783 -1750 -574 -119 -822 -555 -377 -392 227 -332 -131 -550 -206 311 1073 864 1066 943 900 1059 850 519 372 601 992 1395 1763 1814 350 42 -792 -506 349 680 660 426 470 404 316 -220 -690 -1043 -441 -850 -797 -1173 -1906 -1549 -1040 -558 -116 249 544 425 612 276 -1 164 263 165 541 673 147 -141 -278 -728 -578 -89 -716 -792 -590 -559 -174 69 291 148 89 -71 -151 121 130 228 156 116 -184 223 305 198 552 269 408 726 339 242 21 -113 -298 25 24 -99 164 198 -32 -128 -70 -354 -473 -436 -306 -271 -310 -405 -216 -437 -298 -434 -367 -485 -399 -247 -200 -111 -103 -49 -150 83 -6 74 -41 54 -62 -151 -85 -192 -301 -334 -45 29 175 173 -69 -553 -502 -547 -401 -144 -35 -267 -188 -133 -139 80 -119 -47 -195 -73 113 423 371 487 462 457 550 453 274 191 306 524 802 1119 1250 243 27 -495 -316 236 484 511 342 371 302 236 -148 -428 -638 -294 -659 -642 -1060 -1848 -1567 -1041 -593 -128 283 612 455 650 271 -1 151 266 173 641 893 207 -192 -352 -842 -625 -101 -889 -1028 -804 -805 -248 106 479 248 144 -108 -210 173 189 323 237 185 -293 344 459 283 807 378 547 1009 520 374 34 -193 -524 42 44 -190 319 394 -64 -244 -126 -617 -868 SS 20230114T191329.6Z 8414.801037 397 1 7.95 2 68.99 207.27 119.55 289.38 0.00 1 0.00 1 0 17 9.337e-02 1.054e-02 1.114e-01 1.023e-02 4.333611e-01 5.009405e-03 5.164682e-03 -6.000000e+00 5.125696e-02 223.45 -2.00 3.55 -2.00 318.83 0.00e+00 7.431847e-04 1.104797e-03 1.799529e-04 -6.000000e+00 2.211490e-03 272.48 -2.00 20.00 -2.00 318.30 0.00e+00 2.763 0.000 302.00 328.00 3 5.1224e+00 1.3566e-02 3.4823e-02 -6.0000e+00 1.2659e-01 1.0982e-01 1.5628e-02 2.2089e-02 -6.0000e+00 1.3848e-01 -2.4065e-02 1.1744e-02 1.1125e-02 -6.0000e+00 8.2265e-02 -3.8763e-03 6.2989e-03 3.3001e-03 -6.0000e+00 3.4891e-02 1.1862e-04 -6.3112e-04 2.7707e-04 3.3258e-05 -6.0000e+00 2.3802e-03 4.9477e-03 -3.9336e-05 12 9 9 12 1 1 999.00 17.56 0.28 0.00495 0.00021 1 8 1 8 0 3891.790 15.00 17.56 4.75 21.17 20.96 13.6 925.67 -27629 35137 8218 -23927 56748 -28534 -517 -26300 -28807 -17740 14417 43495 -10383 -6325 7567 3751 -5627 11408 6002 13292 7363 -6449 -7004 396 -6849 10355 -5743 5023 2223 1067 -3810 -1470 3068 -4386 2065 -3455 541 -2996 -258 113 -1014 -1745 -1516 -1768 2737 390 -956 -4986 -2678 -1591 -3960 -535 1450 899 2411 3920 3950 -1297 -458 269 1594 1701 3149 3364 2696 1305 -1996 -917 664 -382 940 169 2568 -1002 1512 359 -2455 -728 -2146 603 -1634 -908 -2408 -353 -926 -1176 -461 700 -1299 1335 339 125 -540 -1508 -655 1104 -48 888 294 -47 260 -701 -267 -626 -1191 298 -159 2222 -1308 1118 -1077 1102 -566 1 -200 226 -1115 605 1148 -543 -232 -481 970 -581 620 42 -414 718 738 142 871 -644 425 269 -430 -79 -887 471 610 649 -595 -215 -881 -977 767 239 -897 895 -983 -15 -1097 -1394 -821 499 1221 -584 -411 512 302 -533 976 573 1234 737 -731 -839 48 -942 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