File name: Pandora206s1_BuffaloNY_20220706_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T035126.8Z 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_20220706_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: 20220706 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 20220706T115928.4Z 8222.499634 86 1 46.81 2 67.76 79.18 134.55 24.59 0.00 1 0.00 1 0 17 1.987e-02 5.075e-03 1.573e-03 2.492e-04 3.551157e-01 1.254929e-04 4.201584e-03 -6.000000e+00 1.131326e-02 232.94 -2.00 3.55 -2.00 318.50 0.00e+00 5.982485e-04 2.520807e-05 1.254066e-04 -6.000000e+00 4.990829e-04 286.45 -2.00 20.00 -2.00 317.68 0.00e+00 2.620 0.000 302.00 328.00 3 3.5629e-01 3.4374e-04 3.2040e-02 -6.0000e+00 2.8441e-02 1.8563e-02 3.9196e-04 1.8964e-02 -6.0000e+00 3.0810e-02 -1.2532e-02 2.6031e-04 9.1461e-03 -6.0000e+00 1.8312e-02 7.5372e-04 1.3495e-04 2.5326e-03 -6.0000e+00 7.7133e-03 1.8321e-02 -4.7174e-05 6.9090e-06 2.4776e-05 -6.0000e+00 5.0779e-04 9.8605e-04 1.0113e-05 10 0 0 10 0 0 91.46 18.72 0.29 0.00099 0.00063 2045 632 2 8 0 22.320 15.00 18.72 28.45 22.09 22.09 10.8 1011.81 -6659 -4045 -4806 -7426 -8387 -8445 -5882 -5373 -3344 -5062 -5784 -5598 -3385 -2184 -102 -474 -322 -111 335 826 -13 58 397 -20 -619 -103 -935 -1480 -2126 -264 418 744 1242 -864 -2921 -2786 -2334 -1553 -399 -254 -697 -609 -461 -479 146 -373 -347 -302 -660 109 881 804 898 1140 705 1164 935 631 508 567 1037 1253 1817 1691 424 90 -164 -292 601 491 487 286 286 326 128 -91 -490 -652 -368 -780 -966 -1043 -1930 -1394 -1005 -579 -323 20 389 341 577 354 233 428 447 166 520 534 29 -348 -288 -680 -547 -87 -839 -790 -710 -552 -235 166 301 203 175 57 -109 218 106 282 42 -37 -253 37 252 241 665 330 672 924 509 355 177 67 -214 50 30 -124 64 103 -155 -197 -210 -341 -449 -317 -208 -259 -383 -384 -382 -282 -290 -199 -325 -370 -378 -263 -197 -11 -56 -40 -14 46 118 -2 8 60 -3 -107 -18 -170 -253 -343 -43 75 145 269 -198 -626 -594 -556 -431 -121 -91 -274 -250 -196 -205 62 -161 -148 -127 -278 47 406 402 477 645 415 640 528 354 304 337 639 768 1220 1229 310 61 -106 -187 415 391 423 238 236 277 100 -64 -316 -447 -250 -613 -859 -956 -1902 -1431 -1109 -634 -369 23 455 380 634 358 218 398 453 189 616 710 38 -477 -368 -797 -647 -100 -1063 -1047 -987 -755 -340 259 468 320 265 86 -151 308 152 396 63 -60 -407 58 386 351 980 467 903 1278 721 543 288 112 -346 85 55 -221 117 193 -288 -374 -384 -598 -773 SS 20220706T120703.4Z 8222.504901 90 1 0.87 2 66.40 80.37 134.00 27.01 0.00 1 0.00 1 0 17 3.945e-02 8.730e-03 4.917e-02 9.292e-03 3.362212e-01 4.676361e-03 3.990524e-03 -6.000000e+00 2.245855e-02 232.94 -2.00 3.55 -2.00 318.15 0.00e+00 1.214054e-03 8.502966e-04 1.050356e-04 -6.000000e+00 9.907639e-04 286.45 -2.00 20.00 -2.00 317.32 0.00e+00 2.479 0.000 302.00 328.00 3 2.9276e+00 1.2708e-02 3.0330e-02 -6.0000e+00 5.6461e-02 3.4382e-02 1.4415e-02 1.8003e-02 -6.0000e+00 6.1164e-02 -2.1966e-03 9.2577e-03 8.6599e-03 -6.0000e+00 3.6354e-02 -5.0951e-03 4.7539e-03 2.5891e-03 -6.0000e+00 1.5311e-02 1.6201e-03 -6.3957e-05 2.5566e-04 2.4813e-05 -6.0000e+00 1.0082e-03 5.2148e-04 -3.2727e-05 12 9 1 12 1 1 999.00 18.72 0.36 0.00052 0.00004 1 40 1 8 0 349.450 15.00 18.72 29.86 22.09 22.09 10.9 1022.84 23381 -7587 8301 -17372 -7424 -21357 -1225 -7628 -3526 -13551 1638 2968 -3601 249 2326 3698 1970 2600 3852 6452 -3988 482 -4030 -102 -1390 1432 31 1454 -389 -104 2336 -1711 7112 -3860 -652 -6273 -1191 -2158 1671 -1241 -3118 -418 -1279 1616 -1427 696 -441 2379 -1061 740 60 -151 -552 910 563 47 681 2281 -255 -133 3057 1234 2245 1297 -967 113 322 -728 -486 519 541 370 -734 1685 -1174 889 -1367 -95 -513 -488 -2062 -21 -1775 -508 -1169 -828 -733 -406 1167 349 2758 531 345 -722 906 1379 563 597 525 -787 -1062 -1010 -810 -19 -1622 -527 -665 -390 -1377 358 299 315 165 78 4 -427 355 907 -166 186 -476 -907 1107 410 979 58 453 1162 445 -179 416 -236 363 157 229 212 -205 -303 22 52 299 -1146 -458 1052 -497 498 -1212 -427 -1388 -70 -527 -262 -1177 120 227 -345 27 280 491 280 389 598 1019 -712 81 -738 -19 -279 292 6 278 -71 -19 468 -391 1652 -1031 -154 -1565 -316 -656 594 -518 -1399 -190 -610 756 -689 331 -209 1082 -497 347 30 -81 -316 547 340 29 430 1444 -161 -84 1943 844 1624 994 -750 82 227 -513 -361 427 472 335 -665 1460 -964 673 -968 -66 -378 -401 -1842 -20 -1777 -525 -1281 -945 -877 -487 1409 404 3004 556 343 -719 940 1516 684 774 700 -1054 -1361 -1210 -933 -22 -2068 -695 -901 -542 -2004 540 470 499 258 115 5 -580 485 1265 -247 285 -738 -1381 1646 597 1377 81 596 1563 642 -268 654 -377 587 261 400 379 -368 -559 41 93 526 -1963 -780 SS 20220706T130050.8Z 8222.542254 113 1 1.32 2 56.62 89.07 128.78 42.80 0.00 1 0.00 1 0 17 1.324e-02 6.893e-03 1.231e-02 5.048e-03 2.466070e-01 2.549855e-03 2.952721e-03 -6.000000e+00 7.536910e-03 232.94 -2.00 3.55 -2.00 316.70 0.00e+00 5.537400e-04 3.153552e-04 4.578924e-05 -6.000000e+00 3.324961e-04 286.45 -2.00 20.00 -2.00 315.91 0.00e+00 1.811 0.000 302.00 328.00 3 3.3629e+00 6.7452e-03 2.2147e-02 -6.0000e+00 1.8948e-02 2.6442e-02 7.5511e-03 1.3065e-02 -6.0000e+00 2.0526e-02 1.0005e-03 4.3915e-03 6.2967e-03 -6.0000e+00 1.2200e-02 -3.4501e-03 2.0789e-03 1.7564e-03 -6.0000e+00 5.1386e-03 2.2931e-03 1.3628e-04 1.3797e-04 1.8487e-05 -6.0000e+00 3.3830e-04 9.2947e-04 2.3378e-06 12 9 1 12 1 1 999.00 18.68 0.16 0.00093 0.00195 2 37 1 8 0 385.220 15.00 18.68 30.49 22.09 22.09 10.6 1021.37 -3774 -2207 -4269 -2383 -3368 -1007 -2140 1012 -280 -1482 -3499 -5638 -2022 1130 1059 -1380 622 1760 3702 373 770 -1172 3105 1338 270 -103 414 7 -2941 1125 -410 2235 1671 1213 -2343 -2347 -2085 -773 156 -840 184 51 -652 -500 302 -1484 -964 -748 -843 -107 1889 786 1375 585 1115 1194 1203 4 975 -191 576 1601 1724 1027 106 207 65 -1125 -37 -645 311 136 886 624 649 -1795 -258 -222 -939 -1342 -1165 -456 -1878 -1622 -1480 -480 -751 -181 296 359 821 651 -376 1042 -60 541 882 267 149 -443 -536 -753 -60 538 -354 -949 -482 104 -475 475 338 -101 -68 201 96 524 208 490 160 378 -657 -36 -65 151 975 262 620 764 177 611 157 -462 -156 264 -13 346 -167 -349 -450 -4 121 -259 -614 -585 -365 -735 -370 -460 -136 -302 155 -48 -272 -633 -1072 -421 251 268 -393 178 519 1112 116 242 -368 999 448 95 -38 151 3 -981 360 -143 809 640 475 -865 -860 -849 -349 81 -501 113 33 -433 -333 199 -993 -625 -471 -536 -68 1213 546 968 438 852 925 923 3 748 -148 446 1325 1504 933 95 178 52 -919 -31 -594 300 136 873 607 600 -1559 -206 -174 -766 -1177 -1109 -463 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